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Different results with gibscluster #13

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savoie-christopher opened this issue Oct 11, 2022 · 0 comments
Open

Different results with gibscluster #13

savoie-christopher opened this issue Oct 11, 2022 · 0 comments

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@savoie-christopher
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When running the test data for MHC-I I obtain different clustering results than in the mouse_liver_report.html file.

My results are as follow:
image

Compared to:
image

Perhaps this is due to a version difference in gibbscluster using different default arguments ?

Here is the tmp file with the gibbscluster info:

 /Users/CS/Downloads/gibbscluster-2.0/bin/gibbs_cluster_1.2.2_DB.Darwin_x86_64 -mhc1 -trash -l 9 -g 1 -ts 1.5 -blf /Users/CS/Downloads/gibbscluster-2.0/data/blosum%i.freq_rownorm -blm 62 -base 2 -bg 1 -i 10 -s 1 -nt 20 -fr 20 -fs 100 -wlc 200 -swt 0 -lambda 0.8 -dlen 4 -ilen 1 -findels 10 -sigma 5 /private/tmp/mhcvizpipe/2022-10-11_12-13-46.252971/gibbs/mouse_liver.txt/H-2-Db/1groups_1738/data/pepdata.txt

# Tue Oct 11 12:14:01 2022
# User: CS
# PWD : /private/tmp/mhcvizpipe/2022-10-11_12-13-46.252971/gibbs/mouse_liver.txt/H-2-Db
# Host: Darwin CRHSJ105816.local 21.6.0 x86_64
# -mhc1    1                    Use peptides of fixed length, no window shift
# -trash   1                    Use trash cluster to remove outliers
# -l       9                    Motif length
# -g       1                    Number of initial clusters
# -ts      1.500000             Start temperature
# -blf     /Users/CS/Downloads/gibbscluster-2.0/data/blosum%i.freq_rownorm Real value blosum matrix filename
# -blm     62                   Blosum matrix number
# -base    2.000000             Baseline value to discard to trash
# -bg      1                    [0] Flat (0.05) [1] Precalculated [2] From data
# -i       10                   Number of iterations per train example
# -s       1                    Seed [-1] Default, [0] Time [>0] Specific seed
# -nt      20                   Number of temperature steps
# -fr      20                   Interval between Single sequence moves (if -mhc1 == 1)
# -fs      100                  Interval between Phase shift moves
# -wlc     200.000000           Weigth on low count
# -swt     0                    [0] 1/ns [1] Clustering [2] No sequence weighting
# -lambda  0.800000             Penalty factor for overlapping clusters
# -dlen    4                    Max length of deletions
# -ilen    1                    Max length of insertions
# -findels 10                   Interval between Indel moves
# -sigma   5.000000             Weight on blosum for small cluster confidence
# Command line parameters set to:
#	[-l int]             9                    Motif length
#	[-g int]             1                    Number of initial clusters
#	[-trash]             1                    Use trash cluster to remove outliers
#	[-i int]             10                   Number of iterations per train example
#	[-s int]             1                    Seed [-1] Default, [0] Time [>0] Specific seed
#	[-f filename]        0                    File for frequency matrices
#	[-m filename]        0                    File for log-odds matrices
#	[-a filename]        aln.txt              File for multiple alignments
#	[-pc]                0                    Print core of alignment
#	[-c filename]        core.txt             File for core
#	[-alp string]        ARNDCQEGHILKMFPSTWYV Amino acid alphabet
#	[-bg int]            1                    [0] Flat (0.05) [1] Precalculated [2] From data
#	[-base float]        2.000000             Baseline value to discard to trash
#	[-mhc1]              1                    Use peptides of fixed length, no window shift
#	[-ts float]          1.500000             Start temperature
#	[-te float]          0.000010             Final temperature
#	[-nt int]            20                   Number of temperature steps
#	[-ms int]            3                    Max phase shift distance
#	[-fs int]            100                  Interval between Phase shift moves
#	[-findels int]       10                   Interval between Indel moves
#	[-fr int]            20                   Interval between Single sequence moves (if -mhc1 == 1)
#	[-lambda float]      0.800000             Penalty factor for overlapping clusters
#	[-sigma float]       5.000000             Weight on blosum for small cluster confidence
#	[-noph]              0                    Exclude phase shift move
#	[-r float]           5.000000             Scale factor for phase shift moves
#	[-wlc float]         200.000000           Weigth on low count
#	[-blf filename]      /Users/CS/Downloads/gibbscluster-2.0/data/blosum%i.freq_rownorm Real value blosum matrix filename
#	[-blm int]           62                   Blosum matrix number
#	[-cX int]            1                    [0] Count X as A, [1] Exclude X from count
#	[-v]                 0                    Verbose mode
#	[-debug]             0                    Debug model
#	[-cthr float]        0.620000             Clustering threshold for sequence weighting
#	[-swt int]           0                    [0] 1/ns [1] Clustering [2] No sequence weighting
#	[-w string]          1,3,1,1,1,1,1,1,3    Weigths on positions
#	[-iw]                0                    Include weights on positions
#	[-noc float]         0.000000             Log-odds score assignment to no count elements
#	[-p1a]               0                    Allow only Hydrophobic AA at P1
#	[-p1l filename]      ILVMFYW              Allowed letters at P1 [Only with -p1a option]
#	[-factor float]      2.885400             Scale factor for matrix 2/log2
#	[-cntthr int]        0                    Low bound for amino acids counts to include in matrix
#	[-p1s]               0                    Penalize disallowed P1 amino acids in shift
#	[-pkld]              0                    Print KLD list (file to -kldf)
#	[-kldf string]       kldfq.txt            Print complete list of KLD values to specified file
#	[-kldq int]          1000                 Total datapoints when printing KLDs
#	[-ilen int]          1                    Max length of insertions
#	[-dlen int]          4                    Max length of deletions
#	[-xc]                0                    Exclude final check of all peptides to clusters
# Random seed is 1
# Read 332 elements on seqlist /private/tmp/mhcvizpipe/2022-10-11_12-13-46.252971/gibbs/mouse_liver.txt/H-2-Db/1groups_1738/data/pepdata.txt
# Number of temperature steps 20 dt 0.078947
# Back ground frequences
# 0 A  0.07400
# 1 R  0.05200
# 2 N  0.04500
# 3 D  0.05400
# 4 C  0.02500
# 5 Q  0.03400
# 6 E  0.05400
# 7 G  0.07400
# 8 H  0.02600
# 9 I  0.06800
# 10 L  0.09900
# 11 K  0.05800
# 12 M  0.02500
# 13 F  0.04700
# 14 P  0.03900
# 15 S  0.05700
# 16 T  0.05100
# 17 W  0.01300
# 18 Y  0.03200
# 19 V  0.07300
# Read_realblosum done. Alphabet ARNDCQEGHILKMFPSTWYV
# G 0 332
# G 1 0
### Initial alignments weighed KLD sum 0.000000

# Doing temprature step 0 1.500000
# Doing temprature step 1 1.421053
# Doing temprature step 2 1.342106
# Doing temprature step 3 1.263160
# Doing temprature step 4 1.184213
# Doing temprature step 5 1.105266
# Doing temprature step 6 1.026319
# Doing temprature step 7 0.947372
# Doing temprature step 8 0.868425
# Doing temprature step 9 0.789479
# Doing temprature step 10 0.710532
# Doing temprature step 11 0.631585
# Doing temprature step 12 0.552638
# Doing temprature step 13 0.473691
# Doing temprature step 14 0.394744
# Doing temprature step 15 0.315798
# Doing temprature step 16 0.236851
# Doing temprature step 17 0.157904
# Doing temprature step 18 0.078957
# Doing temprature step 19 0.000010
## Sequence alignment for group 0
G  0    0          FQAPNVTFL  FQAPNVTFL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 14.648 bgG  -1 bgS  2.000 cS 13.048
G  0    1          LALINGTQM  LALINGTQM o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 13.062 bgG  -1 bgS  2.000 cS 11.462
G  0    2          VSLLNVYYI  VSLLNVYYI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 15.539 bgG  -1 bgS  2.000 cS 13.939
G  0    3           SSFHFPYL  SSF-HFPYL o  0 ip   3 il   1 dp -99 dl -99    Peplist sS 16.355 bgG  -1 bgS  2.000 cS 14.755
G  0    4        AGIENKFGLYL  AGIENKLYL o  0 ip -99 il -99 dp   6 dl   2    Peplist sS 17.314 bgG  -1 bgS  2.000 cS 15.714
G  0    5          ASPEGQDYL  ASPEGQDYL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 18.781 bgG  -1 bgS  2.000 cS 17.181
G  0    6          SILVNQEVL  SILVNQEVL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 18.217 bgG  -1 bgS  2.000 cS 16.617
G  0    7          RGVSNGTHV  RGVSNGTHV o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 14.854 bgG  -1 bgS  2.000 cS 13.254
G  0    8           SALRYNTL  SALR-YNTL o  0 ip   4 il   1 dp -99 dl -99    Peplist sS 13.269 bgG  -1 bgS  2.000 cS 11.669
G  0    9          SAKMNLVVI  SAKMNLVVI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 11.840 bgG  -1 bgS  2.000 cS 10.240
G  0   10          YAVGNHDFI  YAVGNHDFI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 15.728 bgG  -1 bgS  2.000 cS 14.128
G  0   11        SALQNAESDRL  SALQNAERL o  0 ip -99 il -99 dp   7 dl   2    Peplist sS 21.174 bgG  -1 bgS  2.000 cS 19.574
G  0   12          VQPFNYVTL  VQPFNYVTL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 18.867 bgG  -1 bgS  2.000 cS 17.267
G  0   13          IAPSFVKGF  IAPSFVKGF o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  4.706 bgG  -1 bgS  2.000 cS  3.106
G  0   14          LNYNFLETL  LNYNFLETL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  7.640 bgG  -1 bgS  2.000 cS  6.040
G  0   15          AGVINRERM  AGVINRERM o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 15.771 bgG  -1 bgS  2.000 cS 14.171
G  0   16         VAVYNHYKRI  VAVYNHYKI o  0 ip -99 il -99 dp   8 dl   1    Peplist sS 12.482 bgG  -1 bgS  2.000 cS 10.882
G  0   17        FSIFNRSIDAF  FSIFNIDAF o  0 ip -99 il -99 dp   5 dl   2    Peplist sS 14.690 bgG  -1 bgS  2.000 cS 13.090
G  0   18          STIRNADVI  STIRNADVI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 16.808 bgG  -1 bgS  2.000 cS 15.208
G  0   19          TILEFSQNM  TILEFSQNM o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  9.689 bgG  -1 bgS  2.000 cS  8.089
G  0   20          SQLRNEVAI  SQLRNEVAI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 12.960 bgG  -1 bgS  2.000 cS 11.360
G  0   21         FVISNYREQL  FVISNYEQL o  0 ip -99 il -99 dp   6 dl   1    Peplist sS 16.393 bgG  -1 bgS  2.000 cS 14.793
G  0   22         KAISNSHYVL  KAISNSHYL o  0 ip -99 il -99 dp   8 dl   1    Peplist sS 18.248 bgG  -1 bgS  2.000 cS 16.648
G  0   23          STIKNANFV  STIKNANFV o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 11.743 bgG  -1 bgS  2.000 cS 10.143
G  0   24        HSLENSLIDIM  HSLENIDIM o  0 ip -99 il -99 dp   5 dl   2    Peplist sS 17.145 bgG  -1 bgS  2.000 cS 15.545
G  0   25          ASVINGHTL  ASVINGHTL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 16.672 bgG  -1 bgS  2.000 cS 15.072
G  0   26         APQGSLGEYL  AQGSLGEYL o  0 ip -99 il -99 dp   1 dl   1    Peplist sS  8.737 bgG  -1 bgS  2.000 cS  7.137
G  0   27          AAIVDGDRI  AAIVDGDRI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  9.418 bgG  -1 bgS  2.000 cS  7.818
G  0   28          SNVDLLEEL  SNVDLLEEL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  9.675 bgG  -1 bgS  2.000 cS  8.075
G  0   29          AVVLNATWL  AVVLNATWL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 11.448 bgG  -1 bgS  2.000 cS  9.848
G  0   30        RAIYNNMKQFI  RAIYNKQFI o  0 ip -99 il -99 dp   5 dl   2    Peplist sS 15.365 bgG  -1 bgS  2.000 cS 13.765
G  0   31          TSPVNEKTL  TSPVNEKTL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 17.817 bgG  -1 bgS  2.000 cS 16.217
G  0   32          TAHYNRERI  TAHYNRERI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 12.560 bgG  -1 bgS  2.000 cS 10.960
G  0   33          KSTVNKWTL  KSTVNKWTL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 14.457 bgG  -1 bgS  2.000 cS 12.857
G  0   34          VSLTHHAGL  VSLTHHAGL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  8.192 bgG  -1 bgS  2.000 cS  6.592
G  0   35          YSSENISNF  YSSENISNF o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 13.912 bgG  -1 bgS  2.000 cS 12.312
G  0   36         SSITMSQGGM  SSITMSQGM o  0 ip -99 il -99 dp   7 dl   1    Peplist sS 11.577 bgG  -1 bgS  2.000 cS  9.977
G  0   37          IAARNQENL  IAARNQENL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 14.467 bgG  -1 bgS  2.000 cS 12.867
G  0   38          VMPQNQKAI  VMPQNQKAI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 14.724 bgG  -1 bgS  2.000 cS 13.124
G  0   39          RQPNPPLIL  RQPNPPLIL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  4.673 bgG  -1 bgS  2.000 cS  3.073
G  0   40          FNLVNNALL  FNLVNNALL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 10.438 bgG  -1 bgS  2.000 cS  8.838
G  0   41          MNMEITDVL  MNMEITDVL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  3.767 bgG  -1 bgS  2.000 cS  2.167
G  0   42          SNVVNQANL  SNVVNQANL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 16.264 bgG  -1 bgS  2.000 cS 14.664
G  0   43          YSLFNVISI  YSLFNVISI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 12.404 bgG  -1 bgS  2.000 cS 10.804
G  0   44          YGVSNLQEF  YGVSNLQEF o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 16.600 bgG  -1 bgS  2.000 cS 15.000
G  0   45          GGLQNIAVV  GGLQNIAVV o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 11.674 bgG  -1 bgS  2.000 cS 10.074
G  0   46          KSLLLLTTL  KSLLLLTTL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 11.529 bgG  -1 bgS  2.000 cS  9.929
G  0   47          AAPRSFIFL  AAPRSFIFL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 12.369 bgG  -1 bgS  2.000 cS 10.769
G  0   48          SAITNVAKI  SAITNVAKI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 16.875 bgG  -1 bgS  2.000 cS 15.275
G  0   49          RAPSNVSTV  RAPSNVSTV o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 17.326 bgG  -1 bgS  2.000 cS 15.726
G  0   50          TALRNLGSL  TALRNLGSL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 12.840 bgG  -1 bgS  2.000 cS 11.240
G  0   51           LSMNPMLL  LSM-NPMLL o  0 ip   3 il   1 dp -99 dl -99    Peplist sS 10.791 bgG  -1 bgS  2.000 cS  9.191
G  0   52          ISLKNSQEI  ISLKNSQEI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 15.721 bgG  -1 bgS  2.000 cS 14.121
G  0   53         AMSPVTITTI  ASPVTITTI o  0 ip -99 il -99 dp   1 dl   1    Peplist sS 14.228 bgG  -1 bgS  2.000 cS 12.628
G  0   54          STITNPSAI  STITNPSAI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 15.933 bgG  -1 bgS  2.000 cS 14.333
G  0   55          AMYVHAYTL  AMYVHAYTL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  9.891 bgG  -1 bgS  2.000 cS  8.291
G  0   56          EAIQNSTSI  EAIQNSTSI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 13.916 bgG  -1 bgS  2.000 cS 12.316
G  0   57          FSPTNYHFL  FSPTNYHFL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 22.222 bgG  -1 bgS  2.000 cS 20.622
G  0   58          GMKLNLDYL  GMKLNLDYL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  9.349 bgG  -1 bgS  2.000 cS  7.749
G  0   59          RSPINVESL  RSPINVESL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 20.677 bgG  -1 bgS  2.000 cS 19.077
G  0   60          AAPTSAARV  AAPTSAARV o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  8.662 bgG  -1 bgS  2.000 cS  7.062
G  0   61          SSPANISSL  SSPANISSL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 20.529 bgG  -1 bgS  2.000 cS 18.929
G  0   62        FMPPVPITSPI  FMPPVPITI o  0 ip -99 il -99 dp   8 dl   2    Peplist sS  7.681 bgG  -1 bgS  2.000 cS  6.081
G  0   63          SAPKSISAL  SAPKSISAL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 14.189 bgG  -1 bgS  2.000 cS 12.589
G  0   64          RALDNDQHL  RALDNDQHL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 16.272 bgG  -1 bgS  2.000 cS 14.672
G  0   65          ATVSNGPFL  ATVSNGPFL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 15.206 bgG  -1 bgS  2.000 cS 13.606
G  0   66          VNFEKFWEL  VNFEKFWEL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  6.651 bgG  -1 bgS  2.000 cS  5.051
G  0   67          FMLALKENI  FMLALKENI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  6.852 bgG  -1 bgS  2.000 cS  5.252
G  0   68          FSNKNLEEL  FSNKNLEEL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 16.179 bgG  -1 bgS  2.000 cS 14.579
G  0   69          HSPTNTVHM  HSPTNTVHM o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 21.028 bgG  -1 bgS  2.000 cS 19.428
G  0   70        AAPTNRQIEIL  AAPTNIEIL o  0 ip -99 il -99 dp   5 dl   2    Peplist sS 23.298 bgG  -1 bgS  2.000 cS 21.698
G  0   71          GALGNLTVV  GALGNLTVV o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 11.011 bgG  -1 bgS  2.000 cS  9.411
G  0   72         YKYPSDLPYM  YKPSDLPYM o  0 ip -99 il -99 dp   2 dl   1    Peplist sS 13.019 bgG  -1 bgS  2.000 cS 11.419
G  0   73          KVIKNFTEI  KVIKNFTEI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 14.226 bgG  -1 bgS  2.000 cS 12.626
G  0   74          RQRENFPNL  RQRENFPNL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 15.826 bgG  -1 bgS  2.000 cS 14.226
G  0   75          ASVLNVNHI  ASVLNVNHI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 15.736 bgG  -1 bgS  2.000 cS 14.136
G  0   76          FVIFNNTYI  FVIFNNTYI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 12.436 bgG  -1 bgS  2.000 cS 10.836
G  0   77          QQYRFSVIM  QQYRFSVIM o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  6.377 bgG  -1 bgS  2.000 cS  4.777
G  0   78          STVIHILYL  STVIHILYL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  9.927 bgG  -1 bgS  2.000 cS  8.327
G  0   79          ISPQNMDIL  ISPQNMDIL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 15.208 bgG  -1 bgS  2.000 cS 13.608
G  0   80          RSHYNAKHL  RSHYNAKHL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 12.777 bgG  -1 bgS  2.000 cS 11.177
G  0   81          AIMPNGDHI  AIMPNGDHI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 12.614 bgG  -1 bgS  2.000 cS 11.014
G  0   82          VAPGNQVTL  VAPGNQVTL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 18.553 bgG  -1 bgS  2.000 cS 16.953
G  0   83         YQYQNIFGPL  YQYQNIFGL o  0 ip -99 il -99 dp   8 dl   1    Peplist sS 16.868 bgG  -1 bgS  2.000 cS 15.268
G  0   84          RSVLNNQLL  RSVLNNQLL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 14.184 bgG  -1 bgS  2.000 cS 12.584
G  0   85          KSYVNPTEL  KSYVNPTEL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 20.224 bgG  -1 bgS  2.000 cS 18.624
G  0   86          AVIQFLERI  AVIQFLERI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 10.282 bgG  -1 bgS  2.000 cS  8.682
G  0   87          SSPVSHTAV  SSPVSHTAV o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 13.503 bgG  -1 bgS  2.000 cS 11.903
G  0   88         GFADSNSLEI  FADSNSLEI o  1 ip -99 il -99 dp -99 dl -99    Peplist sS  6.562 bgG  -1 bgS  2.000 cS  4.962
G  0   89          ATYTFIQQL  ATYTFIQQL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 13.040 bgG  -1 bgS  2.000 cS 11.440
G  0   90          AVLRNQIHV  AVLRNQIHV o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 11.053 bgG  -1 bgS  2.000 cS  9.453
G  0   91         YSPVLQKPKF  YSPVLQPKF o  0 ip -99 il -99 dp   6 dl   1    Peplist sS 13.961 bgG  -1 bgS  2.000 cS 12.361
G  0   92          QTVENKETL  QTVENKETL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 17.361 bgG  -1 bgS  2.000 cS 15.761
G  0   93          TTHSNHEVL  TTHSNHEVL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 16.355 bgG  -1 bgS  2.000 cS 14.755
G  0   94          VAVVNKVDI  VAVVNKVDI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 12.721 bgG  -1 bgS  2.000 cS 11.121
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G  0  228         SVLANYFVFM  SVLANFVFM o  0 ip -99 il -99 dp   5 dl   1    Peplist sS 13.565 bgG  -1 bgS  2.000 cS 11.965
G  0  229          FQGKNLETV  FQGKNLETV o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 13.966 bgG  -1 bgS  2.000 cS 12.366
G  0  230          TQLMNGTSM  TQLMNGTSM o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 15.129 bgG  -1 bgS  2.000 cS 13.529
G  0  231          KNHEFIATF  KNHEFIATF o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  5.662 bgG  -1 bgS  2.000 cS  4.062
G  0  232           YSLQFTNL  YSLQ-FTNL o  0 ip   4 il   1 dp -99 dl -99    Peplist sS 16.640 bgG  -1 bgS  2.000 cS 15.040
G  0  233         AVMKNYLLPI  AVMKNYLLI o  0 ip -99 il -99 dp   8 dl   1    Peplist sS  7.851 bgG  -1 bgS  2.000 cS  6.251
G  0  234          KQPLNTTRI  KQPLNTTRI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 18.529 bgG  -1 bgS  2.000 cS 16.929
G  0  235          SQSRMSTNM  SQSRMSTNM o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  7.833 bgG  -1 bgS  2.000 cS  6.233
G  0  236          IGPDVYAKL  IGPDVYAKL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  4.274 bgG  -1 bgS  2.000 cS  2.674
G  0  237          ASLVNADKL  ASLVNADKL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 18.693 bgG  -1 bgS  2.000 cS 17.093
G  0  238          SAPVNKAEL  SAPVNKAEL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 21.325 bgG  -1 bgS  2.000 cS 19.725
G  0  239           RSYDFEFM  RSY-DFEFM o  0 ip   3 il   1 dp -99 dl -99    Peplist sS 13.255 bgG  -1 bgS  2.000 cS 11.655
G  0  240          GAPLNIHKV  GAPLNIHKV o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 13.999 bgG  -1 bgS  2.000 cS 12.399
G  0  241          ATVENLNEL  ATVENLNEL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 15.744 bgG  -1 bgS  2.000 cS 14.144
G  0  242          FQLRLAEVL  FQLRLAEVL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 12.287 bgG  -1 bgS  2.000 cS 10.687
G  0  243          YAADNQIYI  YAADNQIYI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 12.385 bgG  -1 bgS  2.000 cS 10.785
G  0  244          SQLPGVHEF  SQLPGVHEF o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  6.210 bgG  -1 bgS  2.000 cS  4.610
G  0  245         FGIHNGVETL  FGIHNVETL o  0 ip -99 il -99 dp   5 dl   1    Peplist sS 18.235 bgG  -1 bgS  2.000 cS 16.635
G  0  246          KVAVNGQHM  KVAVNGQHM o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 11.582 bgG  -1 bgS  2.000 cS  9.982
G  0  247          ASARNLEHL  ASARNLEHL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 18.827 bgG  -1 bgS  2.000 cS 17.227
G  0  248        AGPQGLDLAPI  AGPQGLDLI o  0 ip -99 il -99 dp   8 dl   2    Peplist sS 11.833 bgG  -1 bgS  2.000 cS 10.233
G  0  249          KALVNAVKL  KALVNAVKL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 15.237 bgG  -1 bgS  2.000 cS 13.637
G  0  250          FSVTNPHTM  FSVTNPHTM o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 20.947 bgG  -1 bgS  2.000 cS 19.347
G  0  251        YSEYLGRPTTL  YSLGRPTTL o  0 ip -99 il -99 dp   2 dl   2    Peplist sS 11.672 bgG  -1 bgS  2.000 cS 10.072
G  0  252          SLLELLTEV  SLLELLTEV o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  5.923 bgG  -1 bgS  2.000 cS  4.323
G  0  253          YAPKGSSVV  YAPKGSSVV o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  9.711 bgG  -1 bgS  2.000 cS  8.111
G  0  254          LSMRNTSVM  LSMRNTSVM o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 14.035 bgG  -1 bgS  2.000 cS 12.435
G  0  255           SGKNFTEL  SG-KNFTEL o  0 ip   2 il   1 dp -99 dl -99    Peplist sS 19.133 bgG  -1 bgS  2.000 cS 17.533
G  0  256          SGILDRDTM  SGILDRDTM o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 11.635 bgG  -1 bgS  2.000 cS 10.035
G  0  257         SAPSNPWGGL  SAPSNPWGL o  0 ip -99 il -99 dp   7 dl   1    Peplist sS 21.920 bgG  -1 bgS  2.000 cS 20.320
G  0  258          SAPRFLTAF  SAPRFLTAF o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 14.256 bgG  -1 bgS  2.000 cS 12.656
G  0  259          FQAINAGHI  FQAINAGHI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  9.248 bgG  -1 bgS  2.000 cS  7.648
G  0  260          YLMKNADYF  YLMKNADYF o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 11.024 bgG  -1 bgS  2.000 cS  9.424
G  0  261          SSPSNIHNI  SSPSNIHNI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 23.024 bgG  -1 bgS  2.000 cS 21.424
G  0  262         FQFANNKPEI  FQFANKPEI o  0 ip -99 il -99 dp   4 dl   1    Peplist sS 14.436 bgG  -1 bgS  2.000 cS 12.836
G  0  263          VGVENVAEL  VGVENVAEL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 14.398 bgG  -1 bgS  2.000 cS 12.798
G  0  264         SAIFNNVMTL  SAIFNNVTL o  0 ip -99 il -99 dp   7 dl   1    Peplist sS 16.231 bgG  -1 bgS  2.000 cS 14.631
G  0  265          YSSENRNYM  YSSENRNYM o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 16.000 bgG  -1 bgS  2.000 cS 14.400
G  0  266          SQLENKTII  SQLENKTII o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 19.206 bgG  -1 bgS  2.000 cS 17.606
G  0  267          YSIQGQHTI  YSIQGQHTI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 12.621 bgG  -1 bgS  2.000 cS 11.021
G  0  268          VGLSNLQFI  VGLSNLQFI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 16.510 bgG  -1 bgS  2.000 cS 14.910
G  0  269         HGPQNHEAHL  HGPQNHEHL o  0 ip -99 il -99 dp   7 dl   1    Peplist sS 22.739 bgG  -1 bgS  2.000 cS 21.139
G  0  270          AMIELVERL  AMIELVERL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 10.047 bgG  -1 bgS  2.000 cS  8.447
G  0  271          AALENGYTL  AALENGYTL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 19.111 bgG  -1 bgS  2.000 cS 17.511
G  0  272          GSLRNLEEL  GSLRNLEEL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 17.962 bgG  -1 bgS  2.000 cS 16.362
G  0  273         SSFDFRPSVM  SSFDFPSVM o  0 ip -99 il -99 dp   5 dl   1    Peplist sS 11.851 bgG  -1 bgS  2.000 cS 10.251
G  0  274          YLVVNPNYL  YLVVNPNYL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 14.635 bgG  -1 bgS  2.000 cS 13.035
G  0  275          YSLTLVDAL  YSLTLVDAL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 11.826 bgG  -1 bgS  2.000 cS 10.226
G  0  276        FGPDLKLAPRM  FGPKLAPRM o  0 ip -99 il -99 dp   3 dl   2    Peplist sS 12.020 bgG  -1 bgS  2.000 cS 10.420
G  0  277          YVVDNIDHL  YVVDNIDHL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 17.192 bgG  -1 bgS  2.000 cS 15.592
G  0  278        YAVSNHSGTTM  YAVSNHTTM o  0 ip -99 il -99 dp   6 dl   2    Peplist sS 21.625 bgG  -1 bgS  2.000 cS 20.025
G  0  279          VSVTNLEEL  VSVTNLEEL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 20.153 bgG  -1 bgS  2.000 cS 18.553
G  0  280          KVMKNVSEI  KVMKNVSEI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  9.426 bgG  -1 bgS  2.000 cS  7.826
G  0  281          RQLENTEHM  RQLENTEHM o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 22.550 bgG  -1 bgS  2.000 cS 20.950
G  0  282          KAVKNFTDV  KAVKNFTDV o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 13.621 bgG  -1 bgS  2.000 cS 12.021
G  0  283        FGLRNLERLYL  FGLRNLEYL o  0 ip -99 il -99 dp   7 dl   2    Peplist sS 21.330 bgG  -1 bgS  2.000 cS 19.730
G  0  284         VGPELHHKLL  VGPELHHKL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 12.053 bgG  -1 bgS  2.000 cS 10.453
G  0  285          TSVSNFLVM  TSVSNFLVM o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 16.273 bgG  -1 bgS  2.000 cS 14.673
G  0  286          VSPSNEQVL  VSPSNEQVL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 19.655 bgG  -1 bgS  2.000 cS 18.055
G  0  287          AAVVGATHL  AAVVGATHL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 11.876 bgG  -1 bgS  2.000 cS 10.276
G  0  288          AAVENLKNI  AAVENLKNI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 16.552 bgG  -1 bgS  2.000 cS 14.952
G  0  289          QAIKNGQAL  QAIKNGQAL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 14.052 bgG  -1 bgS  2.000 cS 12.452
G  0  290           AQYNFILV  AQY-NFILV o  0 ip   3 il   1 dp -99 dl -99    Peplist sS 11.725 bgG  -1 bgS  2.000 cS 10.125
G  0  291          SNYERLESL  SNYERLESL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 11.645 bgG  -1 bgS  2.000 cS 10.045
G  0  292          FSPINWDDL  FSPINWDDL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 20.579 bgG  -1 bgS  2.000 cS 18.979
G  0  293          AALANATVI  AALANATVI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 15.392 bgG  -1 bgS  2.000 cS 13.792
G  0  294          SALDWWPKI  SALDWWPKI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  9.493 bgG  -1 bgS  2.000 cS  7.893
G  0  295          AAPVSGPRL  AAPVSGPRL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 13.468 bgG  -1 bgS  2.000 cS 11.868
G  0  296         NAPQNPESKL  NAPQNPESL o  0 ip -99 il -99 dp   8 dl   1    Peplist sS 22.001 bgG  -1 bgS  2.000 cS 20.401
G  0  297           TAYAFHFL  TAYAFH-FL o  0 ip   6 il   1 dp -99 dl -99    Peplist sS  9.406 bgG  -1 bgS  2.000 cS  7.806
G  0  298          ATILNLERV  ATILNLERV o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 12.976 bgG  -1 bgS  2.000 cS 11.376
G  0  299          YTIQNRVDI  YTIQNRVDI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 12.744 bgG  -1 bgS  2.000 cS 11.144
G  0  300          TSPVNPAVF  TSPVNPAVF o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 18.221 bgG  -1 bgS  2.000 cS 16.621
G  0  301          GAIVNGKVL  GAIVNGKVL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 12.858 bgG  -1 bgS  2.000 cS 11.258
G  0  302          AAMLLQQVM  AAMLLQQVM o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 11.184 bgG  -1 bgS  2.000 cS  9.584
G  0  303          KQAQNIVTL  KQAQNIVTL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 15.672 bgG  -1 bgS  2.000 cS 14.072
G  0  304           ISPLFAEL  ISPLFAE-L o  0 ip   7 il   1 dp -99 dl -99    Peplist sS 13.032 bgG  -1 bgS  2.000 cS 11.432
G  0  305          TGLRNGSFL  TGLRNGSFL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 14.051 bgG  -1 bgS  2.000 cS 12.451
G  0  306          QSIAFISRL  QSIAFISRL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  7.310 bgG  -1 bgS  2.000 cS  5.710
G  0  307         SSVKNVPENL  SSVKNPENL o  0 ip -99 il -99 dp   5 dl   1    Peplist sS 22.960 bgG  -1 bgS  2.000 cS 21.360
G  0  308         SSIVAQTAGI  SSIVAQTAI o  0 ip -99 il -99 dp   8 dl   1    Peplist sS 10.007 bgG  -1 bgS  2.000 cS  8.407
G  0  309          RAIKNDSVV  RAIKNDSVV o  0 ip -99 il -99 dp -99 dl -99    Peplist sS 10.615 bgG  -1 bgS  2.000 cS  9.015
G  0  310          KARELWDSI  KARELWDSI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  4.535 bgG  -1 bgS  2.000 cS  2.935
G  0  311          YIHINIGAL  YIHINIGAL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  6.379 bgG  -1 bgS  2.000 cS  4.779
G  0  312          YQLLLKEML  YQLLLKEML o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  7.528 bgG  -1 bgS  2.000 cS  5.928
G  0  313          AALEFLNRF  AALEFLNRF o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  9.003 bgG  -1 bgS  2.000 cS  7.403
G  0  314          SRPGHIETF  SRPGHIETF o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  6.913 bgG  -1 bgS  2.000 cS  5.313
G  0  315          VIVPHIVNL  VIVPHIVNL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  5.553 bgG  -1 bgS  2.000 cS  3.953
G  0  316          GNYKWINYL  GNYKWINYL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  5.974 bgG  -1 bgS  2.000 cS  4.374
G  0  317          AGYMYTQLM  AGYMYTQLM o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  4.321 bgG  -1 bgS  2.000 cS  2.721
G  0  318          TSYDKRYVI  TSYDKRYVI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  5.741 bgG  -1 bgS  2.000 cS  4.141
G  0  319          SDFTVFERI  SDFTVFERI o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  2.660 bgG  -1 bgS  2.000 cS  1.060
G  0  320          VAFIFNQKF  VAFIFNQKF o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  4.479 bgG  -1 bgS  2.000 cS  2.879
G  0  321          IGYPFLVSV  IGYPFLVSV o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  4.040 bgG  -1 bgS  2.000 cS  2.440
G  0  322          KVLRFIAEV  KVLRFIAEV o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  3.425 bgG  -1 bgS  2.000 cS  1.825
G  0  323          VSFEKKVQV  VSFEKKVQV o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  4.237 bgG  -1 bgS  2.000 cS  2.637
G  0  324          KLLALKDFM  KLLALKDFM o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  1.743 bgG  -1 bgS  2.000 cS  0.143
G  0  325          NNISSTVTV  NNISSTVTV o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  3.122 bgG  -1 bgS  2.000 cS  1.522
G  0  326          NSIVDQRDL  NSIVDQRDL o  0 ip -99 il -99 dp -99 dl -99    Peplist sS  2.417 bgG  -1 bgS  2.000 cS  0.817
## Trash cluster (5 outliers)
#Trash1                 RSAATYLTV	Peplist
#Trash2                 IGIDKFGEI	Peplist
#Trash3                 MGFGAFAAL	Peplist
#Trash4                 VAYWHILSV	Peplist
#Trash5                 AAGVGDMVM	Peplist
# group 0, size 327: Final KLD sum after 66400 epochs - 12.026946
# Trash cluster: removed 5 outliers
#
# Final number of non-empty clusters: 1

### Final KLD sum after 66400 iterations: 12.026946`
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