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HOW_TO_USE
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Copyright (c) 2018-19, Maxim Shapovalov (1,2), Slobodan Vucetic (2), Roland L. Dunbrack, Jr. (1,^)
(1): Fox Chase Cancer Center, 333 Cottman Avenue, Philadelphia PA 19111, USA
(2): Temple University, 1801 N Broad Street, Philadelphia PA 19122, USA
(^): Corresponding Author, Roland dot Dunbrack at fccc dot ed
##################################
Tool help version: 1.1.10
Tool version: 1.1.10
BetaTurnLib18 library version: 1.1
##################################
###############
# DESCRIPTION #
###############
BetaTurnTool18 is software that identifies beta turns in an input protein structure
in either mmCIF or PDB format according to our BetaTurnLib18 library. Our BetaTurnLib18
includes conformational modes and medoids of 18 beta-turn types. It is provided in 3 formats:
a plain-text, tab-delimited file, PDF and XLSX Spreadsheet. Other researchers can re-use our
library in their own tools and software. Both the tool and library are free, open-source,
redistributable and modifiable under BSD 3-Clause License. We adopted the software for
3 operating systems: Unix, Mac and Windows. It automatically downloads required python tools.
The only requirement is to have python2 installed.
For more details, please refer to
---------------------------------
"A New Clustering and Nomenclature for Beta Turns Derived form High-Resolution Protein Structures"
Maxim Shapovalov, Slobodan Vucetic, Roland L. Dunbrack, Jr., 2018 PLOS Computational (final review)
http://dunbrack.fccc.edu/betaturn
http://github.com/sh-maxim/BetaTurn18
###########################################
# SOFTWARE REQUIRES PYTHON 2 NOT PYTHON 3 #
###########################################
Supported on Unix/Mac/Windows with Python 2
This program is written for Python 2 which is more common.
Please make sure you are running this program with Python 2, NOT Python 3.
'python' from your terminal needs to link to Python 2, NOT Python 3.
For execution from a terminal, you may try:
Unix/Mac/Windows:
-----------------
python BetaTurnTool18.py2
python2 BetaTurnTool18.py2
Unix/Mac:
---------
/usr/bin/python BetaTurnTool18.py2
/usr/bin/python2 BetaTurnTool18.py2
/usr/bin/env python BetaTurnTool18.py2
/usr/bin/env python2 BetaTurnTool18.py2
For Shebang (Hashbang) in Unix/Mac:
-----------------------------------
Make sure that in the top line of 'BetaTurnTool18.py2' 'python' actually links
to Python 2 in your operating system and NOT Python 3.
If Python 2 is linked with python2, please modify its top line
from "#!/usr/bin/env python2" to "#!/usr/bin/env python"
Windows:
--------
C:\Python\python.exe BetaTurnTool18.py2
################
# INSTALLATION #
################
Installation is simple as running BetaTurnTool18.py2 as shown above for the first time.
The software will automatically download and install missing Python libraries.
Note for Mac OS users:
----------------------
On older versions of macOS, the python library management tool, 'pip' can be outdated
with versions below 10. Mac OS restricts pip downloads for security reasons.
The older pip verion gives such an error: "There was a problem confirming the ssl certificate:
[SSL: TLSV1_ALERT_PROTOCOL_VERSION]"
Unfortunately you cannot update it with 'pip with sudo pip install pip --upgrade' as well since pip is old.
However you can download the most recent pip from here: https://pypi.org/project/pip/#files
For example, 'pip-18.0-py2.py3-none-any.whl' and install it with 'sudo pip install pip-18.0-py2.py3-none-any.whl'
You may also try version between 10 and 18 from here: https://pypi.org/project/pip/#history
########
# HELP #
########
usage: BetaTurnTool18.py2 [-i INPUT] [-o OUTPUT] [-noG] [-allG] [-noOther]
[-Ca1Ca4 CA1CA4_DISTANCE_CUTOFF] [--quiet]
[--no-comments] [--no-table-format]
[--no-seq-format] [--yes-singleline-format] [-mode]
[-medoid] [-everything]
[--yes-2nd-turn-alternative-for-other-group]
[--library LIBRARY] [--dssp DSSP] [-h]
optional arguments:
-i INPUT, --input INPUT
for example, -i abcd.cif or --input abcd.pdb
-o OUTPUT, --output OUTPUT
-noG, --exclude-all-3-10-helix
-allG, --include-all-3-10-helix
-noOther, --exclude-other-group-from-turn-assignment
-Ca1Ca4 CA1CA4_DISTANCE_CUTOFF, --Ca1Ca4-distance-cutoff CA1CA4_DISTANCE_CUTOFF
--quiet
--no-comments
--no-table-format
--no-seq-format
--yes-singleline-format
-mode, --report-closest-mode-torsions
-medoid, --report-closest-medoid-torsions
-everything, --print-any-4-res-segments
--yes-2nd-turn-alternative-for-other-group
--library LIBRARY
--dssp DSSP
-h, --help
Arguments can be in any order, and provided in a short -i or long notations, i.e. --input.
-i, --input: specifies an input structure file in mmCIF or PDB format
The mmCIF file must have *.cif or *.mmcif (case-insensitive) file extension,
otherwise the input file is treated as PDB format.
The PDB can be complete with annotation records like ones from RCSB PDB or
can be stripped only with ATOM records such as output from 3rd-party modeling software.
Examples: -i abcd.cif or --input myFavoriteInput/1234Z.Cif or --pdb /home/user/Hemoglobin.CIF
Examples: -i abcd.mmcif or --input myFavoriteInput/1234Z.mmCif or --pdb /home/user/Hemoglobin.MMCIF
Examples: -i abcd.pdb or --input myFavoriteInput/1234Z.Pdb or --pdb /home/user/Hemoglobin.PDB
OPTIONAL arguments:
-------------------
-o, --output: is the filename for output
Tool output can be directed to the screen and optionally to an output file. By default the screen output
comes with different comments and hints. The file output does not have them and is intended for easier
parsing and post-analysis. Please see --quiet option below, if no screen output is desired.
Examples: -o ABCD_bTurns.out or --output /home/user/Enzyme_out.turns or -o myOutput/Hemoglobin_out.txt
Three options controlling 3-10 helices
......................................
Default (no additional argument needed): tool allows turns to be identified in all non-H (non-alpha-helical)
and non-E (non-extended-strand) residues as well as isolated 3-10 helices of a length 3 (DSSP code: GGG).
Isolated 3-10 helices are those not immediately adjacent to alpha-helical residues, which may be considered
part of the helix. GGGG and longer 3-10 helices are considered regular secondary structure and are not analyzed
for beta turns. Isolated G or GG are impossible with DSSP.
-noG, --exclude-all-3-10-helix: this flag prohibits any 3-10 helix (G) at the 2nd and 3rd residues
of a beta turn. In another words, isolated GGG (allowed by above Default) are now excluded. With
this flag, beta turns are only allowed in a classical definition of a loop. CGGGC are prohibited.
-allG, --include-all-3-10-helix: it allows the 2nd and 3rd beta-turn residues in any stretch of G of any
length and whether or not adjacent to alpha helices. HGGGH, HGGGC, HGGGGH, CGGGGGC, GGGGGG are all allowed.
-noOther, --exclude-other-group-from-turn-assignment: excludes Other group for beta-turn assignment. There are
18 beta-turn types in our beta-turn library, BetaTurnLib18. The tool calculates 18 distances between a sample
turn and 18 types and selects the first and second closest types. There is Other group for the samples that
are not within a pre-selected distance to any of 18. Other group is rare but a legitimate group of non-standard
turn conformations. The default allows assignment of Other to a input turn sample. With the above flag, the tool
can assign the closest type among the standard 18 types only disregarding how far away the sample to the closest
turn can be.
-Ca1Ca4 VALUE_IN_ANGSTROM, --Ca1Ca4-distance-cutoff: overrides the default cutoff value of 7.0 Angstroms for Ca(1)-Ca(4)
distance between Calpha atoms of the 1st and 4th residues of a beta turn. The standard definition of a beta turn
requires it to be <= 7.0 Angstroms. Any continuous stretch of four residues at most can be 11.4 A (3 x 3.8 A per
Calpha-Calpha distance across a single peptide bond. In beta sheets, the average Ca(1)-Ca(4) is over 10 Angstroms.
The four-residue segments with about 9-Angstrom Ca(1)-Ca(4) are L-shaped with 3 extended residues and the forth one
hooking left or right. Structures at 8 Angstroms are shaped like beta turns but wider and shallower than those with
Ca-Ca distances less then 7 Angstroms. In some applications, it might be beneficial to relax the cutoff up to 8-8.5
Angstroms. The tool reports individual Ca(1)-Ca(4) distances for each detected beta turn in Ca1Ca4 output column.
These options control standard output and optional file output:
...............................................................
--quiet: this flag does not permit any terminal output; it is intended for use with the optional file output and
is useful for batch processing using an external user script.
--no-comments: disables any comments in the terminal output starting with '# ', these comments give different hints
on the current parameters used with short explanations. The optional file output never has any comments.
--no-table-format: disables output of detected beta turns in the table format both in the terminal output and
optional file output.
--no-seq-format: when present, both the terminal output and optional file output do NOT have aminoacid sequence
output aligned with 8-label DSSP secondary structure and identified one-letter beta-turn types as well as
encoded confidence levels for assigned types. By default, there is such output.
--yes-singleline-format: enables a single-line tab-delimited output of the sequence format. This option is useful
for a bulk batch processing and post-analysis where a single line is needed for each protein chain. Be default such
output is disabled.
-mode, --report-closest-mode-torsions: this flag enables output of modal 7 torsion angles in the table format for detected
turn types. The modal conformation is the most common geometry for a detected turn type. It is represented by a real,
reliable and high-electron density conformation taken from a real protein structure. These 18 conformations are reported
in our BetaTurnLib18 library. The modal conformations are useful for modeling. The 7 torsion angles are reported both for
the first closest type and the second closest types.
-medoid, --report-closest-medoid-torsions: the same as --report-closest-mode-torsions but reports 7 torsion angles for
a medoid beta-turn conformation. Again, these conformations are real and reliable and also included in our BetaTurnLib18
library. Medoids represent the center of each of 18 beta-turn type clusters. The medoids are useful when deciding to which
turn type an input beta-turn sample should be assigned.
Other options:
..............
-everything, --print-any-4-res-segments: BE CAREFUL using it! When this flag is present, the program reports all continuous
four-residue segments without enforcing any constraints like Ca(1)-Ca(4) or DSSP secondary structure. As long as four
residues are standard amino acids, have coordinates and are continuous, such 4-residue segment is reported and closest
beta turn is assigned. This argument is useful to use our tool to calculate torsion angles for stretches of four residues
and not for beta-turn detection.
--yes-2nd-turn-alternative-for-other-group: for turns assigned with Other group, i.e. a legitimate group of non-standard turn
conformations, the tool will also report the 2nd alternative from the 18 turn types. BE CAREFUL in using the 2nd alternative
when confidence in the second alternative is low relative to Other group.
--library is a beta-turn library file with all beta-turn type defintions and nomenclature.
The default filename is 'BetaTurnLib18.txt'.
It is included in BetaTurnLib18 directory of this tool parent directory.
Example: --library \home\user iles\some_other_beta_turn_library_file
--dssp is a binary file of dssp program.
The default is dssp_unix, dssp_mac and dssp_win for Unix, Mac and Windows respectively.
The defaults and alternatives are stored in DSSP directory of this tool parent directory.
If default binary proves to be incompatible with your operating system, you can override it with
the included alternatives, downloading or compiling your own DSSP.
Example: --dssp dssp_mac_most_compatible_apr_2000 or --dssp /home/user/tools/dssp_mac_2.0.4
-h, --help: prints this help.
Usage examples:
===============
python2 BetaTurnTool18.py2
python2.7 /bin/BetaTurnTool18.py2 --input 4qlp.cif
./BetaTurnTool18.py2 -i ../files/4qlp.pdb --output 4qlp.bturns --quiet
/tools/BetaTurnTool18.py2 -i Hemoglobin.mmCIF -noG -noOther -Ca1Ca4 8.250 --no-comments
BetaTurnTool18.py2 -i ./temp/3J9P.CIF -o 3J9P_turns.txt -allG --no-seq-format --dssp dssp_unix_i386_2.0.4
BetaTurnTool18.py2 -i 4qlp.pdb --no-comments -no-table-format --no-seq-format -yes-singleline-format
BetaTurnTool18.py2 -i /mnt/data/4qlp.CIF -everything
BetaTurnTool18.py2 -i 4qlp.CIF --library new_bturn.lib
BetaTurnLib file: 'C:\TestBetaTurnTool18\Software\BetaTurnTool18\BetaTurnLib18\BetaTurnLib18.txt'
Library version: 1.1
Beta turn types:
================
int freq count type prev_name letter
1 49.22 6413 AD I a
2 11.94 1556 Pd II b
3 6.16 802 Pa new_prev_II c
4 5.74 748 ad I' d
5 4.97 648 AB1 new_prev_VIII e
6 4.80 625 AZ new_prev_VIII f
7 4.63 603 AB2 VIII g
8 3.09 402 pD II' h
9 1.27 166 AG new_prev_VIII i
10 1.04 135 BcisP VIb j
11 1.01 131 dD new k
12 0.96 125 PcisD VIa1 l
13 0.78 102 dN new m
14 0.67 87 Dd new n
15 0.45 59 PcisP new_prev_VIb o
16 0.40 52 cisDA new p
17 0.25 32 pG new q
18 0.19 25 cisDP new r
19 2.45 319 Other IV z
Confidence one-letter integer values used in the sequence format output:
=========================================================================
one_letter confid_range border_case_flag
0 [ 0.0, 0.1 ) +
1 [ 0.1, 0.2 ) +
2 [ 0.2, 0.3 ) +
3 [ 0.3, 0.4 ) +
4 [ 0.4, 0.5 ) +
5 [ 0.5, 0.6 ) +
6 [ 0.6, 0.7 ) +
7 [ 0.7, 0.8 ) .
8 [ 0.8, 0.9 ) .
9 [ 0.9, 1.0 ] .
Border confidence is 0.7
Beta-turn type determinations with confidence >= 0.7 are confident and are NOT border cases ('.').
A single identified type is enough.
Beta-turn type determinations with confidence < 0.7 are weaker identifications (e.g., the turn might
be half way between two neighboring turn types),
and are designated border cases ('+'). Two
predicted types are required.
By default, Other group is included into the beta-turn assignment.
The closest turn type to a sample turn is assigned from 18 types and Other group.
If the closest turn is too far way, Other group is reported.
In such case the sample turn does not fit any of 18 turn types.
=================================================================================
CA(1)-CA(4) distance threshold = 7.000 A is enforced in a beta-turn definition
===============================================================================
The default allows the 2nd and 3rd beta-turn residues in an isolated 3-10 helix
which is not adjacent to an alpha helix (H) on either side.
For example, CGGGC or EGGGE are allowed while HGGGC or CGGGH or CGGGGC are not analyzed for turns.
==================================================================================================
###########
# Example #
###########
-----------------------------------------------------------
> python2 BetaTurnTool18.py2 -i 4qlp.pdb -o 4qlp_pdb.bturns
> python2 BetaTurnTool18.py2 -i 4qlp.cif -o 4qlp_cif.bturns
-----------------------------------------------------------
###################
# Terminal output #
###################
# BetaTurnTool18: Software identifying beta turns in an input protein structure (mmCIF/PDB) according to BetaTurnLib18 library
# Maxim Shapovalov, Slobodan Vucetic, Roland Dunbrack (C) 2018-19
# Tool version: 1.1.10
# License: BSD 3-Clause (free, open-source, redistributable and modifiable)
# Supported on Unix/Mac/Windows
#
# Detected operating system family: 'Windows'
# Running executable file: 'C:\TestBetaTurnTool18\Software\BetaTurnTool18\BetaTurnTool18.py2'
# biopython library version: '1.72'
# DSSP executable file: 'C:\TestBetaTurnTool18\Software\BetaTurnTool18\DSSP\dssp_win'
#
#
# BetaTurnLib file: 'C:\TestBetaTurnTool18\Software\BetaTurnTool18\BetaTurnLib18\BetaTurnLib18.txt'
# Library version: 1.1
#
# Beta turn types:
# ================
#
# int freq count type prev_name letter
#
# 1 49.22 6413 AD I a
# 2 11.94 1556 Pd II b
# 3 6.16 802 Pa new_prev_II c
# 4 5.74 748 ad I' d
# 5 4.97 648 AB1 new_prev_VIII e
# 6 4.80 625 AZ new_prev_VIII f
# 7 4.63 603 AB2 VIII g
# 8 3.09 402 pD II' h
# 9 1.27 166 AG new_prev_VIII i
# 10 1.04 135 BcisP VIb j
# 11 1.01 131 dD new k
# 12 0.96 125 PcisD VIa1 l
# 13 0.78 102 dN new m
# 14 0.67 87 Dd new n
# 15 0.45 59 PcisP new_prev_VIb o
# 16 0.40 52 cisDA new p
# 17 0.25 32 pG new q
# 18 0.19 25 cisDP new r
# 19 2.45 319 Other IV z
#
#
# Confidence one-letter integer values used in the sequence format output:
# =========================================================================
#
# one_letter confid_range border_case_flag
#
# 0 [ 0.0, 0.1 ) +
# 1 [ 0.1, 0.2 ) +
# 2 [ 0.2, 0.3 ) +
# 3 [ 0.3, 0.4 ) +
# 4 [ 0.4, 0.5 ) +
# 5 [ 0.5, 0.6 ) +
# 6 [ 0.6, 0.7 ) +
# 7 [ 0.7, 0.8 ) .
# 8 [ 0.8, 0.9 ) .
# 9 [ 0.9, 1.0 ] .
#
# Border confidence is 0.7
#
# Beta-turn type determinations with confidence >= 0.7 are confident and are NOT border cases ('.').
# A single identified type is enough.
#
# Beta-turn type determinations with confidence < 0.7 are weaker identifications (e.g., the turn might
# be half way between two neighboring turn types),
# and are designated border cases ('+'). Two
# predicted types are required.
#
#
# By default, Other group is included into the beta-turn assignment.
# The closest turn type to a sample turn is assigned from 18 types and Other group.
# If the closest turn is too far way, Other group is reported.
# In such case the sample turn does not fit any of 18 turn types.
# =================================================================================
#
# CA(1)-CA(4) distance threshold = 7.000 A is enforced in a beta-turn definition
# ===============================================================================
#
# The default allows the 2nd and 3rd beta-turn residues in an isolated 3-10 helix
# which is not adjacent to an alpha helix (H) on either side.
# For example, CGGGC or EGGGE are allowed while HGGGC or CGGGH or CGGGGC are not analyzed for turns.
# ==================================================================================================
#
# Input filename = 4qlp.pdb
# *************************
#
# Detected beta turns in a table format:
# --------------------------------------
#
# Structure_name = 4qlp
# Structure_chain = A
#
rectype count pdb chain res1 aa1 res4 aa4 aa1234 ss1234 Ca1Ca4 omega2 phi2 psi2 omega3 phi3 psi3 omega4 border conf1 int1 type1 prev_name1 letter1 d_deg1 conf2 int2 type2 prev_name2 letter2 d_deg2
table 1 4qlp A 2 ILE 5 ASP IGVD CTTC 5.551 178.99 48.79 -108.62 178.18 -111.06 23.75 175.07 . 1.000 8 pD II' h 15.06 0.000 19 Other IV z 999.00
table 2 4qlp A 23 GLN 26 GLU QGSE CGGG 5.675 181.40 -57.98 -32.94 181.92 -64.89 -15.31 177.55 . 1.000 1 AD I a 13.59 0.000 19 Other IV z 999.00
table 3 4qlp A 24 GLY 27 THR GSET GGGS 5.278 181.92 -64.89 -15.31 177.55 -93.14 1.87 183.26 . 0.752 1 AD I a 8.74 0.248 9 AG new_prev_VIII i 26.42
table 4 4qlp A 27 THR 30 GLY TNDG SSSC 5.264 181.74 -78.47 -27.40 184.53 -105.52 -1.49 173.40 . 0.733 1 AD I a 9.11 0.267 6 AZ new_prev_VIII f 24.95
table 5 4qlp A 36 ASN 39 GLY NKGG CGGG 5.401 186.13 -53.22 125.69 177.83 73.83 2.30 185.07 . 0.757 2 Pd II b 5.91 0.243 3 Pa new_prev_II c 18.43
table 6 4qlp A 37 LYS 40 GLU KGGE GGGS 6.313 177.83 73.83 2.30 185.07 72.46 21.45 174.49 . 1.000 4 ad I' d 16.77 0.000 19 Other IV z 999.00
table 7 4qlp A 48 LEU 51 TRP LAGW ETTE 5.599 174.93 57.43 27.15 176.54 79.74 13.11 174.51 . 1.000 4 ad I' d 5.62 0.000 19 Other IV z 999.00
table 8 4qlp A 58 ASP 61 SER DRMS ETTC 5.582 173.13 53.20 45.62 173.24 73.46 11.47 179.25 . 1.000 4 ad I' d 4.27 0.000 19 Other IV z 999.00
table 9 4qlp A 101 GLN 104 GLU QPEE SGGG 5.344 190.51 -59.39 -34.51 181.58 -72.88 -9.76 179.55 . 1.000 1 AD I a 11.46 0.000 19 Other IV z 999.00
table 10 4qlp A 102 PRO 105 LEU PEEL GGGS 5.771 181.58 -72.88 -9.76 179.55 -93.56 3.53 176.29 . 0.708 1 AD I a 10.56 0.292 6 AZ new_prev_VIII f 25.59
table 11 4qlp A 106 MET 109 TYR MPEY CTTC 5.919 193.30 -68.86 -16.33 179.17 -78.57 2.65 184.74 + 0.689 1 AD I a 11.91 0.311 9 AG new_prev_VIII i 26.37
table 12 4qlp A 116 PHE 119 ARG FAGR ETTE 5.769 176.11 50.45 42.13 164.36 100.14 -4.65 180.40 . 1.000 4 ad I' d 10.81 0.000 19 Other IV z 999.00
table 13 4qlp A 126 ASP 129 GLY DSSG CTTS 5.623 188.70 -64.56 -19.86 178.64 -78.72 -17.95 184.41 . 1.000 1 AD I a 8.05 0.000 19 Other IV z 999.00
table 14 4qlp A 160 ASP 163 GLY DSEG STTC 4.840 182.55 -52.96 -36.41 183.61 -103.48 5.89 180.83 + 0.698 1 AD I a 11.42 0.302 6 AZ new_prev_VIII f 26.41
table 15 4qlp A 163 GLY 166 LEU GKPL CTTT 6.529 186.90 -85.78 149.19 6.01 -86.96 -20.19 192.06 . 1.000 12 PcisD VIa1 l 16.72 0.000 19 Other IV z 999.00
table 16 4qlp A 164 LYS 167 PHE KPLF TTTC 5.398 6.01 -86.96 -20.19 192.06 -73.98 -26.61 194.84 . 1.000 16 cisDA new p 12.46 0.000 19 Other IV z 999.00
table 17 4qlp A 169 LEU 172 ASP LWKD EGGG 5.339 174.27 -55.85 -36.08 181.43 -63.56 -19.46 180.36 . 1.000 1 AD I a 14.97 0.000 19 Other IV z 999.00
table 18 4qlp A 170 TRP 173 TYR WKDY GGGC 5.156 181.43 -63.56 -19.46 180.36 -96.86 -0.53 182.53 . 0.792 1 AD I a 7.05 0.208 6 AZ new_prev_VIII f 26.82
#
# Detected beta turns in a sequence format:
# -----------------------------------------
#
sequence 4qlp A Full__aa__sequence VTIGVDLSTDLQDWIRLSGMNMIQGSETNDGRTILWNKGGEVRYFIDRLAGWYVITSSDRMSREGYEFAAASMSVIEKYLYGYFGGSVRSERELPAIRAPFQPEELMPEYSIGTMTFAGRQRDTLIDSSGTVVAITAADRLVELSHYLDVSVNVIKDSFLDSEGKPLFTLWKDYKG
sequence 4qlp A Seq___with___coord -TIGVDLSTDLQDWIRLSGMNMIQGSETNDGRTILWNKGGEVRYFIDRLAGWYVITSSDRMSREGYEFAAASMSVIEKYLYGYFGGSVRSERELPAIRAPFQPEELMPEYSIGTMTFAGRQRDTLIDSSGTVVAITAADRLVELSHYLDVSVNVIKDSFLDSEGKPLFTLWKDYKG
sequence 4qlp A DSSP___sec__struct XCCTTCCCHHHHHHHHHTTCEEECGGGSSSCCEEEECGGGSEEEEEEEETTEEEEEEEETTCCCEEEEEESSHHHHHHHHHHHHHHHHHHHTTCCCEECCCSGGGSCTTCEEEEEEETTEEEEEEECTTSCEEEESCHHHHHHHHHHHHSCHHHHHHHHHSTTCTTTCEEGGGCCC
sequence 4qlp A Primary_bturn___18 X h aa a bd d d aa a d a a lp aa
sequence 4qlp A Primary_confi___18 X 9 97 7 79 9 9 97 6 9 9 6 99 97
sequence 4qlp A Border__case____18 X . .. . .. . . .. + . . + .. ..
sequence 4qlp A Seconda_bturn___18 X z zi f cz z z zf i z z f zz zf
sequence 4qlp A Seconda_confi___18 X 0 02 2 20 0 0 02 3 0 0 3 00 02
sequence 4qlp A Is_processed____18 X+++++----------++----++++++++-----++++---------+---------++++-------+--------------------++++---+++++++++++--------+--------++++-----+-------------+----------+++++++---++++---
sequence 4qlp A Primary_distDeg_18 -9;-1;15.06;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;13.59;8.74;-1;-1;9.11;-1;-1;-1;-1;-1;-1;-1;-1;5.91;16.77;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;5.62;-1;-1;-1;-1;-1;-1;-1;-1;-1;4.27;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;11.46;10.56;-1;-1;-1;11.91;-1;-1;-1;-1;-1;-1;-1;-1;-1;10.81;-1;-1;-1;-1;-1;-1;-1;-1;-1;8.05;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;11.42;-1;-1;16.72;12.46;-1;-1;-1;-1;14.97;7.05;-1;-1;-1;-1;-1
sequence 4qlp A Primary_distL___18 -9;-1;0.0687;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0560;0.0232;-1;-1;0.0252;-1;-1;-1;-1;-1;-1;-1;-1;0.0106;0.0851;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0096;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0055;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0399;0.0339;-1;-1;-1;0.0430;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0355;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0197;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0396;-1;-1;0.0845;0.0471;-1;-1;-1;-1;0.0679;0.0151;-1;-1;-1;-1;-1
sequence 4qlp A Seconda_distDeg_18 -9;-1;999.00;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.00;26.42;-1;-1;24.95;-1;-1;-1;-1;-1;-1;-1;-1;18.43;999.00;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.00;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.00;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.00;25.59;-1;-1;-1;26.37;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.00;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.00;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;26.41;-1;-1;999.00;999.00;-1;-1;-1;-1;999.00;26.82;-1;-1;-1;-1;-1
sequence 4qlp A Seconda_distL___18 -9;-1;999.0000;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.0000;0.2089;-1;-1;0.1866;-1;-1;-1;-1;-1;-1;-1;-1;0.1026;999.0000;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.0000;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.0000;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.0000;0.1962;-1;-1;-1;0.2081;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.0000;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.0000;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.2087;-1;-1;999.0000;999.0000;-1;-1;-1;-1;999.0000;0.2152;-1;-1;-1;-1;-1
#
# Structure_name = 4qlp
# Structure_chain = B
#
rectype count pdb chain res1 aa1 res4 aa4 aa1234 ss1234 Ca1Ca4 omega2 phi2 psi2 omega3 phi3 psi3 omega4 border conf1 int1 type1 prev_name1 letter1 d_deg1 conf2 int2 type2 prev_name2 letter2 d_deg2
table 19 4qlp B 655 GLU 658 ASP EAVD CSSC 5.789 174.35 -64.44 -39.15 165.98 -134.02 134.71 177.45 + 0.528 5 AB1 new_prev_VIII e 11.14 0.472 7 AB2 VIII g 12.47
table 20 4qlp B 660 GLN 663 GLU QYGE CTTS 5.562 177.91 -54.81 128.84 182.39 97.69 -8.11 172.68 . 0.769 2 Pd II b 7.29 0.231 3 Pa new_prev_II c 24.22
table 21 4qlp B 665 LEU 668 HIS LSRH CSSC 6.188 178.74 -69.43 -26.24 175.32 -141.00 148.91 175.11 . 0.741 5 AB1 new_prev_VIII e 5.39 0.259 7 AB2 VIII g 15.46
table 22 4qlp B 671 PHE 674 ASN FTDN CSSC 6.744 179.90 -89.68 -10.62 170.55 -144.96 -171.72 177.13 . 1.000 5 AB1 new_prev_VIII e 16.23 0.000 19 Other IV z 999.00
table 23 4qlp B 674 ASN 677 ASP NPAD CTTC 5.397 185.16 -68.85 -15.41 179.14 -96.01 5.87 177.87 . 0.715 1 AD I a 9.83 0.285 6 AZ new_prev_VIII f 24.64
table 24 4qlp B 677 ASP 680 ARG DRSR CTTT 5.462 188.51 -69.93 -22.08 177.71 -81.73 -6.04 182.82 . 1.000 1 AD I a 8.43 0.000 19 Other IV z 999.00
table 25 4qlp B 678 ARG 681 ILE RSRI TTTS 5.506 177.71 -81.73 -6.04 182.82 -120.26 -10.83 176.83 + 0.673 1 AD I a 12.86 0.327 6 AZ new_prev_VIII f 26.49
table 26 4qlp B 686 ALA 689 MET AQLM HTTC 5.443 179.97 -63.76 -19.90 180.69 -90.10 -5.62 182.34 . 1.000 1 AD I a 6.26 0.000 19 Other IV z 999.00
table 27 4qlp B 689 MET 692 PRO MEDP CSCT 5.566 175.05 -90.03 -13.53 181.59 -129.97 58.50 186.28 . 0.786 6 AZ new_prev_VIII f 5.11 0.214 9 AG new_prev_VIII i 18.76
table 28 4qlp B 691 ASP 694 ALA DPNA CTTC 5.754 186.28 -65.30 -17.60 176.57 -78.19 -3.81 177.35 . 1.000 1 AD I a 10.08 0.000 19 Other IV z 999.00
table 29 4qlp B 692 PRO 695 PRO PNAP TTCT 5.536 176.57 -78.19 -3.81 177.35 -131.07 68.77 185.27 . 0.704 6 AZ new_prev_VIII f 7.45 0.296 9 AG new_prev_VIII i 17.73
table 30 4qlp B 694 ALA 697 GLY APFG CTTC 5.014 185.27 -71.88 -14.75 171.94 -100.05 18.83 183.48 + 0.577 1 AD I a 14.98 0.423 6 AZ new_prev_VIII f 20.40
table 31 4qlp B 699 ASP 702 GLY DPQG CTTS 5.359 184.59 -69.14 -9.50 176.43 -91.91 2.37 176.00 . 0.720 1 AD I a 10.28 0.280 9 AG new_prev_VIII i 26.36
table 32 4qlp B 718 GLY 721 GLY GPWG CTTC 4.988 183.61 -63.00 -26.33 178.63 -107.45 22.65 176.72 + 0.545 1 AD I a 15.71 0.455 6 AZ new_prev_VIII f 18.78
table 33 4qlp B 719 PRO 722 GLN PWGQ TTCC 6.991 178.63 -107.45 22.65 176.72 79.07 14.93 178.78 . 1.000 14 Dd new n 16.13 0.000 19 Other IV z 999.00
table 34 4qlp B 728 PRO 731 ASN PPNN CTGG 6.631 175.36 -62.12 169.99 170.07 59.74 39.09 181.26 + 0.678 3 Pa new_prev_II c 10.86 0.322 2 Pd II b 22.89
table 35 4qlp B 729 PRO 732 GLY PNNG TGGG 5.835 170.07 59.74 39.09 181.26 50.85 33.38 179.75 . 1.000 4 ad I' d 14.53 0.000 19 Other IV z 999.00
table 36 4qlp B 730 ASN 733 ALA NNGA GGGB 5.565 181.26 50.85 33.38 179.75 73.62 9.51 177.83 . 1.000 4 ad I' d 3.95 0.000 19 Other IV z 999.00
table 37 4qlp B 734 VAL 737 THR VPGT CTTC 5.871 179.70 -53.55 138.58 175.57 79.98 11.05 182.28 . 0.719 2 Pd II b 5.91 0.281 3 Pa new_prev_II c 15.14
table 38 4qlp B 760 GLY 763 GLY GDQG CTTC 6.429 189.74 -79.14 5.69 170.95 -74.80 -16.11 182.30 . 1.000 1 AD I a 15.91 0.000 19 Other IV z 999.00
table 39 4qlp B 769 MET 772 GLY MEHG CGGG 4.847 184.03 -66.42 132.99 184.30 61.04 20.01 182.90 + 0.555 3 Pa new_prev_II c 10.56 0.445 2 Pd II b 13.16
table 40 4qlp B 770 GLU 773 ARG EHGR GGGC 5.652 184.30 61.04 20.01 182.90 75.21 10.46 182.25 . 1.000 4 ad I' d 8.27 0.000 19 Other IV z 999.00
table 41 4qlp B 776 SER 779 GLN SWEQ CTGG 5.167 169.86 -52.20 -49.13 187.70 -65.51 -34.18 176.88 . 1.000 1 AD I a 18.65 0.000 19 Other IV z 999.00
table 42 4qlp B 777 TRP 780 ARG WEQR TGGG 5.462 187.70 -65.51 -34.18 176.88 -68.63 -15.00 180.27 . 1.000 1 AD I a 12.28 0.000 19 Other IV z 999.00
table 43 4qlp B 778 GLU 781 ALA EQRA GGGT 5.659 176.88 -68.63 -15.00 180.27 -92.02 -11.38 175.62 . 1.000 1 AD I a 6.26 0.000 19 Other IV z 999.00
table 44 4qlp B 783 HIS 786 SER HVTS CGGG 5.770 183.95 -61.17 -23.82 176.59 -64.10 -20.46 174.94 . 1.000 1 AD I a 13.47 0.000 19 Other IV z 999.00
table 45 4qlp B 800 PRO 803 TRP PEGW CTTC 5.564 181.57 -53.45 128.75 176.57 81.17 -7.46 176.70 . 0.878 2 Pd II b 2.92 0.122 3 Pa new_prev_II c 20.92
table 46 4qlp B 813 GLY 816 GLN GCGQ BTTB 5.397 172.41 51.81 42.46 175.58 75.60 6.68 185.28 . 1.000 4 ad I' d 3.14 0.000 19 Other IV z 999.00
table 47 4qlp B 827 ASP 830 ASN DHQN CTTC 5.236 185.52 -69.86 -18.24 175.30 -95.60 19.69 174.24 + 0.585 1 AD I a 14.86 0.415 6 AZ new_prev_VIII f 20.97
#
# Detected beta turns in a sequence format:
# -----------------------------------------
#
sequence 4qlp B Full__aa__sequence SHMRLSDEAVDPQYGEPLSRHWDFTDNPADRSRINPVVAQLMEDPNAPFGRDPQGQPYTQERYQERFNSVGPWGQQYSNFPPNNGAVPGTRIAYTNLEKFLSDYGPQLDRIGGDQGKYLAIMEHGRPASWEQRALHVTSLRDPYHAYTIDWLPEGWFIEVSEVAPGCGQPGGSIQVRIFDHQNEMRKVEELIRRGVLRQ
sequence 4qlp B Seq___with___coord SHMRLSDEAVDPQYGEPLSRHWDFTDNPADRSRINPVVAQLMEDPNAPFGRDPQGQPYTQERYQERFNSVGPWGQQYSNFPPNNGAVPGTRIAYTNLEKFLSDYGPQLDRIGGDQGKYLAIMEHGRPASWEQRALHVTSLRDPYHAYTIDWLPEGWFIEVSEVAPGCGQPGGSIQVRIFDHQNEMRKVEELIRRGVLRQ
sequence 4qlp B DSSP___sec__struct CCCCCCCCSSCCCTTSCCSSCCCCSSCTTCTTTSCHHHHTTCSCTTCTTCBCTTSCBCCHHHHHHHHEEECTTCCEEECCCTGGGBCTTCCEEESSHHHHHHHHCSEEEEESCTTCSCEEECGGGCCCCTGGGTCCGGGGGSCEEEEEECCCCTTCEEEEEEBCCBTTBCCCCEEEEEECTTCCBCCHHHHHHTTSEEC
sequence 4qlp B Primary_bturn___18 e b e e a aa a f af a a an cdd b a cd aaa a b d a
sequence 4qlp B Primary_confi___18 5 7 7 9 7 96 9 7 97 5 7 59 699 7 9 59 999 9 8 9 5
sequence 4qlp B Border__case____18 + . . . . .+ . . .. + . +. +.. . . +. ... . . . +
sequence 4qlp B Seconda_bturn___18 g c g z f zf z i zi f i fz bzz c z bz zzz z c z f
sequence 4qlp B Seconda_confi___18 4 2 2 0 2 03 0 2 02 4 2 40 300 2 0 40 000 0 1 0 4
sequence 4qlp B Is_processed____18 +++++++++++++++++++++++++++++++++-----+++++++++++++++++++------------++++----++++++++++++----+---------+------++++++----++++++++++++++++------------++++++-------++++++++++-------+++++++-------++-----
sequence 4qlp B Primary_distDeg_18 -1;-1;-1;-1;-1;-1;-1;11.14;-1;-1;-1;-1;7.29;-1;-1;-1;-1;5.39;-1;-1;-1;-1;-1;16.23;-1;-1;9.83;-1;-1;8.43;12.86;-1;-1;-1;-1;-1;-1;-1;6.26;-1;-1;5.11;-1;10.08;7.45;-1;14.98;-1;-1;-1;-1;10.28;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;15.71;16.13;-1;-1;-1;-1;-1;-1;-1;-1;10.86;14.53;3.95;-1;-1;-1;5.91;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;15.91;-1;-1;-1;-1;-1;-1;-1;-1;10.56;8.27;-1;-1;-1;-1;-1;18.65;12.28;6.26;-1;-1;-1;-1;13.47;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;2.92;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;3.14;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;14.86;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1
sequence 4qlp B Primary_distL___18 -1;-1;-1;-1;-1;-1;-1;0.0377;-1;-1;-1;-1;0.0162;-1;-1;-1;-1;0.0088;-1;-1;-1;-1;-1;0.0797;-1;-1;0.0294;-1;-1;0.0216;0.0501;-1;-1;-1;-1;-1;-1;-1;0.0119;-1;-1;0.0079;-1;0.0309;0.0169;-1;0.0679;-1;-1;-1;-1;0.0321;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0747;0.0787;-1;-1;-1;-1;-1;-1;-1;-1;0.0358;0.0639;0.0047;-1;-1;-1;0.0106;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0766;-1;-1;-1;-1;-1;-1;-1;-1;0.0339;0.0208;-1;-1;-1;-1;-1;0.1050;0.0458;0.0119;-1;-1;-1;-1;0.0550;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0026;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0030;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0669;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1
sequence 4qlp B Seconda_distDeg_18 -1;-1;-1;-1;-1;-1;-1;12.47;-1;-1;-1;-1;24.22;-1;-1;-1;-1;15.46;-1;-1;-1;-1;-1;999.00;-1;-1;24.64;-1;-1;999.00;26.49;-1;-1;-1;-1;-1;-1;-1;999.00;-1;-1;18.76;-1;999.00;17.73;-1;20.40;-1;-1;-1;-1;26.36;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;18.78;999.00;-1;-1;-1;-1;-1;-1;-1;-1;22.89;999.00;999.00;-1;-1;-1;15.14;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.00;-1;-1;-1;-1;-1;-1;-1;-1;13.16;999.00;-1;-1;-1;-1;-1;999.00;999.00;999.00;-1;-1;-1;-1;999.00;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;20.92;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.00;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;20.97;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1
sequence 4qlp B Seconda_distL___18 -1;-1;-1;-1;-1;-1;-1;0.0472;-1;-1;-1;-1;0.1760;-1;-1;-1;-1;0.0723;-1;-1;-1;-1;-1;999.0000;-1;-1;0.1821;-1;-1;999.0000;0.2101;-1;-1;-1;-1;-1;-1;-1;999.0000;-1;-1;0.1062;-1;999.0000;0.0950;-1;0.1254;-1;-1;-1;-1;0.2080;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.1064;999.0000;-1;-1;-1;-1;-1;-1;-1;-1;0.1575;999.0000;999.0000;-1;-1;-1;0.0695;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.0000;-1;-1;-1;-1;-1;-1;-1;-1;0.0525;999.0000;-1;-1;-1;-1;-1;999.0000;999.0000;999.0000;-1;-1;-1;-1;999.0000;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.1319;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.0000;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.1324;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1
##############################
# Output file, '4qlp.bturns' #
##############################
rectype count pdb chain res1 aa1 res4 aa4 aa1234 ss1234 Ca1Ca4 omega2 phi2 psi2 omega3 phi3 psi3 omega4 border conf1 int1 type1 prev_name1 letter1 d_deg1 conf2 int2 type2 prev_name2 letter2 d_deg2
table 1 4qlp A 2 ILE 5 ASP IGVD CTTC 5.551 178.99 48.79 -108.62 178.18 -111.06 23.75 175.07 . 1.000 8 pD II' h 15.06 0.000 19 Other IV z 999.00
table 2 4qlp A 23 GLN 26 GLU QGSE CGGG 5.675 181.40 -57.98 -32.94 181.92 -64.89 -15.31 177.55 . 1.000 1 AD I a 13.59 0.000 19 Other IV z 999.00
table 3 4qlp A 24 GLY 27 THR GSET GGGS 5.278 181.92 -64.89 -15.31 177.55 -93.14 1.87 183.26 . 0.752 1 AD I a 8.74 0.248 9 AG new_prev_VIII i 26.42
table 4 4qlp A 27 THR 30 GLY TNDG SSSC 5.264 181.74 -78.47 -27.40 184.53 -105.52 -1.49 173.40 . 0.733 1 AD I a 9.11 0.267 6 AZ new_prev_VIII f 24.95
table 5 4qlp A 36 ASN 39 GLY NKGG CGGG 5.401 186.13 -53.22 125.69 177.83 73.83 2.30 185.07 . 0.757 2 Pd II b 5.91 0.243 3 Pa new_prev_II c 18.43
table 6 4qlp A 37 LYS 40 GLU KGGE GGGS 6.313 177.83 73.83 2.30 185.07 72.46 21.45 174.49 . 1.000 4 ad I' d 16.77 0.000 19 Other IV z 999.00
table 7 4qlp A 48 LEU 51 TRP LAGW ETTE 5.599 174.93 57.43 27.15 176.54 79.74 13.11 174.51 . 1.000 4 ad I' d 5.62 0.000 19 Other IV z 999.00
table 8 4qlp A 58 ASP 61 SER DRMS ETTC 5.582 173.13 53.20 45.62 173.24 73.46 11.47 179.25 . 1.000 4 ad I' d 4.27 0.000 19 Other IV z 999.00
table 9 4qlp A 101 GLN 104 GLU QPEE SGGG 5.344 190.51 -59.39 -34.51 181.58 -72.88 -9.76 179.55 . 1.000 1 AD I a 11.46 0.000 19 Other IV z 999.00
table 10 4qlp A 102 PRO 105 LEU PEEL GGGS 5.771 181.58 -72.88 -9.76 179.55 -93.56 3.53 176.29 . 0.708 1 AD I a 10.56 0.292 6 AZ new_prev_VIII f 25.59
table 11 4qlp A 106 MET 109 TYR MPEY CTTC 5.919 193.30 -68.86 -16.33 179.17 -78.57 2.65 184.74 + 0.689 1 AD I a 11.91 0.311 9 AG new_prev_VIII i 26.37
table 12 4qlp A 116 PHE 119 ARG FAGR ETTE 5.769 176.11 50.45 42.13 164.36 100.14 -4.65 180.40 . 1.000 4 ad I' d 10.81 0.000 19 Other IV z 999.00
table 13 4qlp A 126 ASP 129 GLY DSSG CTTS 5.623 188.70 -64.56 -19.86 178.64 -78.72 -17.95 184.41 . 1.000 1 AD I a 8.05 0.000 19 Other IV z 999.00
table 14 4qlp A 160 ASP 163 GLY DSEG STTC 4.840 182.55 -52.96 -36.41 183.61 -103.48 5.89 180.83 + 0.698 1 AD I a 11.42 0.302 6 AZ new_prev_VIII f 26.41
table 15 4qlp A 163 GLY 166 LEU GKPL CTTT 6.529 186.90 -85.78 149.19 6.01 -86.96 -20.19 192.06 . 1.000 12 PcisD VIa1 l 16.72 0.000 19 Other IV z 999.00
table 16 4qlp A 164 LYS 167 PHE KPLF TTTC 5.398 6.01 -86.96 -20.19 192.06 -73.98 -26.61 194.84 . 1.000 16 cisDA new p 12.46 0.000 19 Other IV z 999.00
table 17 4qlp A 169 LEU 172 ASP LWKD EGGG 5.339 174.27 -55.85 -36.08 181.43 -63.56 -19.46 180.36 . 1.000 1 AD I a 14.97 0.000 19 Other IV z 999.00
table 18 4qlp A 170 TRP 173 TYR WKDY GGGC 5.156 181.43 -63.56 -19.46 180.36 -96.86 -0.53 182.53 . 0.792 1 AD I a 7.05 0.208 6 AZ new_prev_VIII f 26.82
sequence 4qlp A Full__aa__sequence VTIGVDLSTDLQDWIRLSGMNMIQGSETNDGRTILWNKGGEVRYFIDRLAGWYVITSSDRMSREGYEFAAASMSVIEKYLYGYFGGSVRSERELPAIRAPFQPEELMPEYSIGTMTFAGRQRDTLIDSSGTVVAITAADRLVELSHYLDVSVNVIKDSFLDSEGKPLFTLWKDYKG
sequence 4qlp A Seq___with___coord -TIGVDLSTDLQDWIRLSGMNMIQGSETNDGRTILWNKGGEVRYFIDRLAGWYVITSSDRMSREGYEFAAASMSVIEKYLYGYFGGSVRSERELPAIRAPFQPEELMPEYSIGTMTFAGRQRDTLIDSSGTVVAITAADRLVELSHYLDVSVNVIKDSFLDSEGKPLFTLWKDYKG
sequence 4qlp A DSSP___sec__struct XCCTTCCCHHHHHHHHHTTCEEECGGGSSSCCEEEECGGGSEEEEEEEETTEEEEEEEETTCCCEEEEEESSHHHHHHHHHHHHHHHHHHHTTCCCEECCCSGGGSCTTCEEEEEEETTEEEEEEECTTSCEEEESCHHHHHHHHHHHHSCHHHHHHHHHSTTCTTTCEEGGGCCC
sequence 4qlp A Primary_bturn___18 X h aa a bd d d aa a d a a lp aa
sequence 4qlp A Primary_confi___18 X 9 97 7 79 9 9 97 6 9 9 6 99 97
sequence 4qlp A Border__case____18 X . .. . .. . . .. + . . + .. ..
sequence 4qlp A Seconda_bturn___18 X z zi f cz z z zf i z z f zz zf
sequence 4qlp A Seconda_confi___18 X 0 02 2 20 0 0 02 3 0 0 3 00 02
sequence 4qlp A Is_processed____18 X+++++----------++----++++++++-----++++---------+---------++++-------+--------------------++++---+++++++++++--------+--------++++-----+-------------+----------+++++++---++++---
sequence 4qlp A Primary_distDeg_18 -9;-1;15.06;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;13.59;8.74;-1;-1;9.11;-1;-1;-1;-1;-1;-1;-1;-1;5.91;16.77;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;5.62;-1;-1;-1;-1;-1;-1;-1;-1;-1;4.27;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;11.46;10.56;-1;-1;-1;11.91;-1;-1;-1;-1;-1;-1;-1;-1;-1;10.81;-1;-1;-1;-1;-1;-1;-1;-1;-1;8.05;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;11.42;-1;-1;16.72;12.46;-1;-1;-1;-1;14.97;7.05;-1;-1;-1;-1;-1
sequence 4qlp A Primary_distL___18 -9;-1;0.0687;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0560;0.0232;-1;-1;0.0252;-1;-1;-1;-1;-1;-1;-1;-1;0.0106;0.0851;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0096;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0055;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0399;0.0339;-1;-1;-1;0.0430;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0355;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0197;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0396;-1;-1;0.0845;0.0471;-1;-1;-1;-1;0.0679;0.0151;-1;-1;-1;-1;-1
sequence 4qlp A Seconda_distDeg_18 -9;-1;999.00;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.00;26.42;-1;-1;24.95;-1;-1;-1;-1;-1;-1;-1;-1;18.43;999.00;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.00;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.00;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.00;25.59;-1;-1;-1;26.37;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.00;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.00;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;26.41;-1;-1;999.00;999.00;-1;-1;-1;-1;999.00;26.82;-1;-1;-1;-1;-1
sequence 4qlp A Seconda_distL___18 -9;-1;999.0000;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.0000;0.2089;-1;-1;0.1866;-1;-1;-1;-1;-1;-1;-1;-1;0.1026;999.0000;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.0000;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.0000;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.0000;0.1962;-1;-1;-1;0.2081;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.0000;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.0000;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.2087;-1;-1;999.0000;999.0000;-1;-1;-1;-1;999.0000;0.2152;-1;-1;-1;-1;-1
rectype count pdb chain res1 aa1 res4 aa4 aa1234 ss1234 Ca1Ca4 omega2 phi2 psi2 omega3 phi3 psi3 omega4 border conf1 int1 type1 prev_name1 letter1 d_deg1 conf2 int2 type2 prev_name2 letter2 d_deg2
table 19 4qlp B 655 GLU 658 ASP EAVD CSSC 5.789 174.35 -64.44 -39.15 165.98 -134.02 134.71 177.45 + 0.528 5 AB1 new_prev_VIII e 11.14 0.472 7 AB2 VIII g 12.47
table 20 4qlp B 660 GLN 663 GLU QYGE CTTS 5.562 177.91 -54.81 128.84 182.39 97.69 -8.11 172.68 . 0.769 2 Pd II b 7.29 0.231 3 Pa new_prev_II c 24.22
table 21 4qlp B 665 LEU 668 HIS LSRH CSSC 6.188 178.74 -69.43 -26.24 175.32 -141.00 148.91 175.11 . 0.741 5 AB1 new_prev_VIII e 5.39 0.259 7 AB2 VIII g 15.46
table 22 4qlp B 671 PHE 674 ASN FTDN CSSC 6.744 179.90 -89.68 -10.62 170.55 -144.96 -171.72 177.13 . 1.000 5 AB1 new_prev_VIII e 16.23 0.000 19 Other IV z 999.00
table 23 4qlp B 674 ASN 677 ASP NPAD CTTC 5.397 185.16 -68.85 -15.41 179.14 -96.01 5.87 177.87 . 0.715 1 AD I a 9.83 0.285 6 AZ new_prev_VIII f 24.64
table 24 4qlp B 677 ASP 680 ARG DRSR CTTT 5.462 188.51 -69.93 -22.08 177.71 -81.73 -6.04 182.82 . 1.000 1 AD I a 8.43 0.000 19 Other IV z 999.00
table 25 4qlp B 678 ARG 681 ILE RSRI TTTS 5.506 177.71 -81.73 -6.04 182.82 -120.26 -10.83 176.83 + 0.673 1 AD I a 12.86 0.327 6 AZ new_prev_VIII f 26.49
table 26 4qlp B 686 ALA 689 MET AQLM HTTC 5.443 179.97 -63.76 -19.90 180.69 -90.10 -5.62 182.34 . 1.000 1 AD I a 6.26 0.000 19 Other IV z 999.00
table 27 4qlp B 689 MET 692 PRO MEDP CSCT 5.566 175.05 -90.03 -13.53 181.59 -129.97 58.50 186.28 . 0.786 6 AZ new_prev_VIII f 5.11 0.214 9 AG new_prev_VIII i 18.76
table 28 4qlp B 691 ASP 694 ALA DPNA CTTC 5.754 186.28 -65.30 -17.60 176.57 -78.19 -3.81 177.35 . 1.000 1 AD I a 10.08 0.000 19 Other IV z 999.00
table 29 4qlp B 692 PRO 695 PRO PNAP TTCT 5.536 176.57 -78.19 -3.81 177.35 -131.07 68.77 185.27 . 0.704 6 AZ new_prev_VIII f 7.45 0.296 9 AG new_prev_VIII i 17.73
table 30 4qlp B 694 ALA 697 GLY APFG CTTC 5.014 185.27 -71.88 -14.75 171.94 -100.05 18.83 183.48 + 0.577 1 AD I a 14.98 0.423 6 AZ new_prev_VIII f 20.40
table 31 4qlp B 699 ASP 702 GLY DPQG CTTS 5.359 184.59 -69.14 -9.50 176.43 -91.91 2.37 176.00 . 0.720 1 AD I a 10.28 0.280 9 AG new_prev_VIII i 26.36
table 32 4qlp B 718 GLY 721 GLY GPWG CTTC 4.988 183.61 -63.00 -26.33 178.63 -107.45 22.65 176.72 + 0.545 1 AD I a 15.71 0.455 6 AZ new_prev_VIII f 18.78
table 33 4qlp B 719 PRO 722 GLN PWGQ TTCC 6.991 178.63 -107.45 22.65 176.72 79.07 14.93 178.78 . 1.000 14 Dd new n 16.13 0.000 19 Other IV z 999.00
table 34 4qlp B 728 PRO 731 ASN PPNN CTGG 6.631 175.36 -62.12 169.99 170.07 59.74 39.09 181.26 + 0.678 3 Pa new_prev_II c 10.86 0.322 2 Pd II b 22.89
table 35 4qlp B 729 PRO 732 GLY PNNG TGGG 5.835 170.07 59.74 39.09 181.26 50.85 33.38 179.75 . 1.000 4 ad I' d 14.53 0.000 19 Other IV z 999.00
table 36 4qlp B 730 ASN 733 ALA NNGA GGGB 5.565 181.26 50.85 33.38 179.75 73.62 9.51 177.83 . 1.000 4 ad I' d 3.95 0.000 19 Other IV z 999.00
table 37 4qlp B 734 VAL 737 THR VPGT CTTC 5.871 179.70 -53.55 138.58 175.57 79.98 11.05 182.28 . 0.719 2 Pd II b 5.91 0.281 3 Pa new_prev_II c 15.14
table 38 4qlp B 760 GLY 763 GLY GDQG CTTC 6.429 189.74 -79.14 5.69 170.95 -74.80 -16.11 182.30 . 1.000 1 AD I a 15.91 0.000 19 Other IV z 999.00
table 39 4qlp B 769 MET 772 GLY MEHG CGGG 4.847 184.03 -66.42 132.99 184.30 61.04 20.01 182.90 + 0.555 3 Pa new_prev_II c 10.56 0.445 2 Pd II b 13.16
table 40 4qlp B 770 GLU 773 ARG EHGR GGGC 5.652 184.30 61.04 20.01 182.90 75.21 10.46 182.25 . 1.000 4 ad I' d 8.27 0.000 19 Other IV z 999.00
table 41 4qlp B 776 SER 779 GLN SWEQ CTGG 5.167 169.86 -52.20 -49.13 187.70 -65.51 -34.18 176.88 . 1.000 1 AD I a 18.65 0.000 19 Other IV z 999.00
table 42 4qlp B 777 TRP 780 ARG WEQR TGGG 5.462 187.70 -65.51 -34.18 176.88 -68.63 -15.00 180.27 . 1.000 1 AD I a 12.28 0.000 19 Other IV z 999.00
table 43 4qlp B 778 GLU 781 ALA EQRA GGGT 5.659 176.88 -68.63 -15.00 180.27 -92.02 -11.38 175.62 . 1.000 1 AD I a 6.26 0.000 19 Other IV z 999.00
table 44 4qlp B 783 HIS 786 SER HVTS CGGG 5.770 183.95 -61.17 -23.82 176.59 -64.10 -20.46 174.94 . 1.000 1 AD I a 13.47 0.000 19 Other IV z 999.00
table 45 4qlp B 800 PRO 803 TRP PEGW CTTC 5.564 181.57 -53.45 128.75 176.57 81.17 -7.46 176.70 . 0.878 2 Pd II b 2.92 0.122 3 Pa new_prev_II c 20.92
table 46 4qlp B 813 GLY 816 GLN GCGQ BTTB 5.397 172.41 51.81 42.46 175.58 75.60 6.68 185.28 . 1.000 4 ad I' d 3.14 0.000 19 Other IV z 999.00
table 47 4qlp B 827 ASP 830 ASN DHQN CTTC 5.236 185.52 -69.86 -18.24 175.30 -95.60 19.69 174.24 + 0.585 1 AD I a 14.86 0.415 6 AZ new_prev_VIII f 20.97
sequence 4qlp B Full__aa__sequence SHMRLSDEAVDPQYGEPLSRHWDFTDNPADRSRINPVVAQLMEDPNAPFGRDPQGQPYTQERYQERFNSVGPWGQQYSNFPPNNGAVPGTRIAYTNLEKFLSDYGPQLDRIGGDQGKYLAIMEHGRPASWEQRALHVTSLRDPYHAYTIDWLPEGWFIEVSEVAPGCGQPGGSIQVRIFDHQNEMRKVEELIRRGVLRQ
sequence 4qlp B Seq___with___coord SHMRLSDEAVDPQYGEPLSRHWDFTDNPADRSRINPVVAQLMEDPNAPFGRDPQGQPYTQERYQERFNSVGPWGQQYSNFPPNNGAVPGTRIAYTNLEKFLSDYGPQLDRIGGDQGKYLAIMEHGRPASWEQRALHVTSLRDPYHAYTIDWLPEGWFIEVSEVAPGCGQPGGSIQVRIFDHQNEMRKVEELIRRGVLRQ
sequence 4qlp B DSSP___sec__struct CCCCCCCCSSCCCTTSCCSSCCCCSSCTTCTTTSCHHHHTTCSCTTCTTCBCTTSCBCCHHHHHHHHEEECTTCCEEECCCTGGGBCTTCCEEESSHHHHHHHHCSEEEEESCTTCSCEEECGGGCCCCTGGGTCCGGGGGSCEEEEEECCCCTTCEEEEEEBCCBTTBCCCCEEEEEECTTCCBCCHHHHHHTTSEEC
sequence 4qlp B Primary_bturn___18 e b e e a aa a f af a a an cdd b a cd aaa a b d a
sequence 4qlp B Primary_confi___18 5 7 7 9 7 96 9 7 97 5 7 59 699 7 9 59 999 9 8 9 5
sequence 4qlp B Border__case____18 + . . . . .+ . . .. + . +. +.. . . +. ... . . . +
sequence 4qlp B Seconda_bturn___18 g c g z f zf z i zi f i fz bzz c z bz zzz z c z f
sequence 4qlp B Seconda_confi___18 4 2 2 0 2 03 0 2 02 4 2 40 300 2 0 40 000 0 1 0 4
sequence 4qlp B Is_processed____18 +++++++++++++++++++++++++++++++++-----+++++++++++++++++++------------++++----++++++++++++----+---------+------++++++----++++++++++++++++------------++++++-------++++++++++-------+++++++-------++-----
sequence 4qlp B Primary_distDeg_18 -1;-1;-1;-1;-1;-1;-1;11.14;-1;-1;-1;-1;7.29;-1;-1;-1;-1;5.39;-1;-1;-1;-1;-1;16.23;-1;-1;9.83;-1;-1;8.43;12.86;-1;-1;-1;-1;-1;-1;-1;6.26;-1;-1;5.11;-1;10.08;7.45;-1;14.98;-1;-1;-1;-1;10.28;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;15.71;16.13;-1;-1;-1;-1;-1;-1;-1;-1;10.86;14.53;3.95;-1;-1;-1;5.91;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;15.91;-1;-1;-1;-1;-1;-1;-1;-1;10.56;8.27;-1;-1;-1;-1;-1;18.65;12.28;6.26;-1;-1;-1;-1;13.47;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;2.92;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;3.14;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;14.86;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1
sequence 4qlp B Primary_distL___18 -1;-1;-1;-1;-1;-1;-1;0.0377;-1;-1;-1;-1;0.0162;-1;-1;-1;-1;0.0088;-1;-1;-1;-1;-1;0.0797;-1;-1;0.0294;-1;-1;0.0216;0.0501;-1;-1;-1;-1;-1;-1;-1;0.0119;-1;-1;0.0079;-1;0.0309;0.0169;-1;0.0679;-1;-1;-1;-1;0.0321;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0747;0.0787;-1;-1;-1;-1;-1;-1;-1;-1;0.0358;0.0639;0.0047;-1;-1;-1;0.0106;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0766;-1;-1;-1;-1;-1;-1;-1;-1;0.0339;0.0208;-1;-1;-1;-1;-1;0.1050;0.0458;0.0119;-1;-1;-1;-1;0.0550;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0026;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0030;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.0669;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1
sequence 4qlp B Seconda_distDeg_18 -1;-1;-1;-1;-1;-1;-1;12.47;-1;-1;-1;-1;24.22;-1;-1;-1;-1;15.46;-1;-1;-1;-1;-1;999.00;-1;-1;24.64;-1;-1;999.00;26.49;-1;-1;-1;-1;-1;-1;-1;999.00;-1;-1;18.76;-1;999.00;17.73;-1;20.40;-1;-1;-1;-1;26.36;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;18.78;999.00;-1;-1;-1;-1;-1;-1;-1;-1;22.89;999.00;999.00;-1;-1;-1;15.14;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.00;-1;-1;-1;-1;-1;-1;-1;-1;13.16;999.00;-1;-1;-1;-1;-1;999.00;999.00;999.00;-1;-1;-1;-1;999.00;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;20.92;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.00;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;20.97;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1
sequence 4qlp B Seconda_distL___18 -1;-1;-1;-1;-1;-1;-1;0.0472;-1;-1;-1;-1;0.1760;-1;-1;-1;-1;0.0723;-1;-1;-1;-1;-1;999.0000;-1;-1;0.1821;-1;-1;999.0000;0.2101;-1;-1;-1;-1;-1;-1;-1;999.0000;-1;-1;0.1062;-1;999.0000;0.0950;-1;0.1254;-1;-1;-1;-1;0.2080;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.1064;999.0000;-1;-1;-1;-1;-1;-1;-1;-1;0.1575;999.0000;999.0000;-1;-1;-1;0.0695;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.0000;-1;-1;-1;-1;-1;-1;-1;-1;0.0525;999.0000;-1;-1;-1;-1;-1;999.0000;999.0000;999.0000;-1;-1;-1;-1;999.0000;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.1319;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;999.0000;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;0.1324;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1;-1