@TOME V2.3
(Nov 2016)
Ref.
-
-
Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : PF00069_MAST1_HUMAN: (2014-08-17 )
MSDSLWTALSNFSMPSFPGGSMFRRTKSCRTSNRKSLILTSTSPTLPRPHSPLPGHLGSSPLDSPRNFSPNTPAHFSFASSRRADGRRWSLASLPSSGYGTNTPSSTVSSSCSSQERLHQLPYQPTVDELHFLSKHFGSTESITDEDGGRRSPAVRPRSRSLSPGRSPSSYDNEIVMMNHVYKERFPKATAQMEEKLRDFTRAYEPDSVLPLADGVLSFIHHQIIELARDCLTKSRDGLITTVYFYELQENLEKLLQDAYERSESLEVAFVTQLVKKLLIIISRPARLLECLEFNPEEFYHLLEAAEGHAKEGHLVKTDIPRYIIRQLGLTRDPFPDVVHLEEQDSGGSNTPEQDDLSEGRSSKAKKPPGENDFDTIKLISNGAYGAVYLVRHRDTRQRFAMKKINKQNLILRNQIQQAFVERDILTFAENPFVVGMFCSFETRRHLCMVMEYVEGGDCATLLKNIGALPVEMARMYFAETVLALEYLHNYGIVHRDLKPDNLLITSMGHIKLTDFGLSKMGLMSLTTNLYEGHIEKDAREFLDKQVCGTPEYIAPEVILRQGYGKPVDWWAMGIILYEFLVGCVPFFGDTPEELFGQVISDDILWPEGDEALPTEAQLLISSLLQTNPLVRLGAGGAFEVKQHSFFRDLDWTGLLRQKAEFIPHLESEDDTSYFDTRSDRYHHVNSYDEDDTTEEEPVEIRQFSSCSPRFSKVYSSMEQLSQHEPKTPVAAAGSSKREPSTKGPEEKVAGKREGLGGLTLREKTWRGGSPEIKRFSASEASFLEGEASPPLGARRRFSALLEPSRFSAPQEDEDEARLRRPPRPSSDPAGSLDARAPKEETQGEGTSSAGDSEATDRPRPGDLCPPSKDGDASGPRATNDLVLRRARHQQMSGDVAVEKRPSRTGGKVIKSASATALSVMIPAVDPHGSSPLASPMSPRSLSSNPSSRDSSPSRDYSPAVSGLRSPITIQRSGKKYGFTLRAIRVYMGDTDVYSVHHIVWHVEEGGPAQEAGLCAGDLITHVNGEPVHGMVHPEVVELILKSGNKVAVTTTPFENTSIRIGPARRSSYKAKMARRNKRPSAKEGQESKKRSSLFRKITKQSNLLHTSRSLSSLNRSLSSSDSLPGSPTHGLPARSPTHSYRSTPDSAYLGASSQSSSPASSTPNSPASSASHHIRPSTLHGLSPKLHRQYRSARCKSAGNIPLSPLAHTPSPTQASPPPLPGHTVGSSHTTQSFPAKLHSSPPVVRPRPKSAEPPRSPLLKRVQSAEKLGASLSADKKGALRKHSLEVGHPDFRKDFHGELALHSLAESDGETPPVEGLGAPRQVAVRRLGRQESPLSLGADPLLPEGASRPPVSSKEKESPGGAEACTPPRATTPGGRTLERDVGCTRHQSVQTEDGTGGMARAVAKAALSPVQEHETGRRSSSGEAGTPLVPIVVEPARPGAKAVVPQPLGADSKGLQEPAPLAPSVPEAPRGRERWVLEVVEERTTLSGPRSKPASPKLSPEPQTPSLAPAKCSAPSSAVTPVPPASLLGSGTKPQVGLTSRCPAEAVPPAGLTKKGVSSPAPPGP
Atome Classification :
(13 SA)
.........10........20........30........40........50........60........70........80........90........100.......110.......120.......130.......140.......150.......160.......170.......180.......190.......200.......210.......220.......230.......240.......250.......260.......270.......280.......290.......300.......310.......320.......330.......340.......350.......360.......370.......380.......390.......400.......410.......420.......430.......440.......450.......460.......470.......480.......490.......500.......510.......520.......530.......540.......550.......560.----......570.......580.......590.......600-........610.......620.......630..--.....640.......650.--......660-........670.......680.......690.......700.......710.......720.......730.......740.......750.......760.......770.......780.......790.......800.......810.......820.......830.......840.......850.......860.......870.......880.......890.......900.......910.......920.......930.......940.......950.......960.......970.......980.......990.......1000......1010......1020......1030......1040......1050......1060......1070......1080......1090......1100......1110......1120......1130......1140......1150......1160......1170......1180......1190......1200......1210......1220......1230......1240......1250......1260......1270......1280......1290......1300......1310......1320......1330......1340......1350......1360......1370......1380......1390......1400......1410......1420......1430......1440......1450......1460......1470......1480......1490......1500......1510......1520......1530......1540......1550......1560......1570
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MS
D
S
L
W
T
A
L
S
NFSMPSFPG
G
S
M
F
R
R
T
K
SCRTSNR
K
S
L
I
L
TSTSPTLPRPHSPLPGHLGSSPLDSPRNFSPNTP
A
H
F
SFASSRRADGRRWSLASLPSSGYGTNTPS
S
T
V
S
SSC
S
S
Q
E
R
L
H
QLPYQP
T
V
D
E
L
H
F
L
S
K
HFGSTESITDEDGGRRSPAVRPRSRSLSPGRSPSSYD
N
E
I
V
M
M
N
H
V
Y
K
E
RFP
K
A
T
A
Q
M
E
E
K
L
R
D
F
T
R
AYEPDSVL
P
L
A
D
G
V
L
S
F
I
H
H
Q
I
I
E
L
A
R
D
C
L
TKSRDG
L
I
T
T
V
Y
F
Y
E
L
Q
E
N
L
E
K
L
L
Q
D
A
Y
E
R
SES
L
E
V
A
F
V
T
Q
L
V
K
K
L
L
I
I
ISR
P
A
R
L
L
E
C
LEF
N
P
E
E
F
Y
H
L
L
E
A
AEGHAKEG
H
L
VKTD
I
P
R
Y
I
I
R
QLGLTRDPFP
D
V
V
H
L
EEQDSGGSNTPE
Q
D
D
L
S
EGRSSKAKKPPGENDF
D
T
I
K
L
ISNGA
Y
G
A
V
Y
L
V
RHR
D
T
R
Q
R
F
A
M
K
K
INKQ
N
L
I
L
R
N
Q
I
Q
Q
A
F
V
E
R
D
I
L
T
FAEN
P
F
V
V
G
M
F
CS
F
E
T
R
R
H
L
C
M
V
M
E
Y
VEGG
D
C
A
T
L
L
K
NIGA
L
P
V
E
M
A
R
M
Y
F
A
E
T
V
L
A
L
E
Y
L
H
NYGIVHRDLKPD
N
L
L
I
T
SMG
H
I
K
L
TDFG
L
S
KM
G
L
M
S
L
T
T
N
L
Y
EG
H
I
E
K
D
A
R
E
F
L
D
K
QVCGTPEYI
A
P
E
V
I
L
RQG----YGK
P
V
D
W
W
A
M
G
I
I
L
Y
E
F
L
V
G
C
VPFFGD
T
P
E
E
L
F
G
Q
V
I
S--DDILWPEGDEALP
T
E
A
Q
L
L
I
S
S
L
LQTNP
L
V
R
LG--AGG
A
F
E
V
K
Q
H
S
FFRDL
D
W
T
--
G
L
L
R
Q
K
A
E
--FIPHLESEDDTSYFDTRSDRYHHVNSYDEDDTTEEEP
V
E
I
R
QFSSCS
P
R
F
S
K
V
Y
S
S
M
E
Q
L
S
QHEPKTPVAAAGSSKREPSTKG
P
E
E
K
VAGKREGLGGLTLREKTWRGGSPE
I
K
RFSASEASFLEGEASPPL
G
A
R
R
R
F
S
A
LLEPSRFSAPQED
E
D
E
A
RLRRPPRPSSDPAGSLDARAPKEETQGEGTSSAGDSEATDRPRPGDLCPPSKDGDASGPR
A
T
N
D
L
V
L
R
R
A
R
H
Q
QMSG
D
V
A
V
EKRPSRTG
G
K
V
I
KSASA
T
A
L
S
V
M
IPAVDPHGSSPLASPMSPRSLSSNPSSRDSSPSRDY
S
P
A
V
SGLRS
P
I
T
I
QRSGKKY
G
F
T
L
R
A
I
R
V
YMGDT
D
V
Y
S
V
H
H
I
V
W
H
VEEGGP
A
Q
E
AGL
C
A
G
D
L
I
THVNGEPVHGMV
H
P
E
V
V
E
L
I
L
KSG
N
K
V
A
V
T
TTPFEN
T
S
I
R
I
GPARR
S
S
Y
K
A
K
M
A
RRNKRPSAKE
G
Q
E
S
K
K
R
S
S
L
F
R
K
I
T
K
QSN
L
L
H
T
S
R
S
L
S
S
L
N
R
SLSSSDSLPGSPTHGLPARSPTHSYRSTPDS
A
Y
LGASSQSSSPASSTPNSPASSASHHIRPSTLHGL
S
P
K
L
H
R
Q
Y
R
S
A
RCKSAGNIPLSPLAHTPSPTQASPPPLPGHTVGSSHTTQS
F
P
A
KLHSSPPVVRPRPKSAEP
P
R
S
P
L
L
K
R
V
Q
S
A
E
K
LGASLSADKKGALRKHSLEVGH
P
D
F
R
K
D
F
H
G
E
L
A
L
H
S
L
A
ESDGETPPVEGLGA
P
R
Q
V
A
V
R
R
LGRQESPLSLGADPLLPEGASRPPVSSKEKESPGGAEACTPPRATTPGGR
T
L
E
R
DVGCTRHQSVQTEDGT
G
G
M
A
R
A
V
A
K
A
A
LS
P
V
Q
E
H
ETGRRSSSGEAGT
P
L
V
P
I
V
VEPARPGAKAVVPQPLGADSKGLQEPAPLAPSVPEAPRG
R
E
R
W
V
L
E
V
V
E
E
RTTLSGPRSKPASPKLSPEPQTPSLAPAKCSAPSSAVTPVP
P
A
S
LLGSGTKPQVGLTSRCPAEAVPPAGLTKKGVSSPAPPGP
5
PsiBlast_PDB
83.86
39%
-101
- C1 -
2ETK
1
ROCK1_HUMAN
A:
[75-383]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
K
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
-
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
----
M
K
M
N
K
---
E
G
M
V
R
C
D
T
-------
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
Q
G
GDGY
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
N
HK
N
S
L
T
F
P
D
-
D
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
-
T
D
R
E
V
R
L
G
--
R
N
G
V
E
E
I
K
R
H
L
F
F
K
N
D
Q
W
A
WE
T
L
R
D
T
V
A
P
--
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
-----------
E
E
D
K
G
E
E
E
T
F
P
I
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
82.97
39%
-99
- C1 -
3D9V
1
ROCK1_HUMAN
A:
[75-383]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
K
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
-
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
----
M
K
M
N
K
---
E
G
M
V
R
C
D
T
-------
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
Q
G
GDGY
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
N
HK
N
S
L
T
F
P
D
-
D
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
-
T
D
R
E
V
R
L
G
--
R
N
G
V
E
E
I
K
R
H
L
F
F
K
N
D
Q
W
A
WE
T
L
R
D
T
V
A
P
--
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
-----------
E
E
D
K
G
E
E
E
T
F
P
I
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
81.60
39%
-98
- C1 -
2ETR
1
ROCK1_HUMAN
A:
[75-383]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
K
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
-
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
----
M
K
M
N
K
---
E
G
M
V
R
C
D
T
-------
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
Q
G
GDGY
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
N
HK
N
S
L
T
F
P
D
-
D
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
-
T
D
R
E
V
R
L
G
--
R
N
G
V
E
E
I
K
R
H
L
F
F
K
N
D
Q
W
A
WE
T
L
R
D
T
V
A
P
--
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
-----------
E
E
D
K
G
E
E
E
T
F
P
I
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
81.40
34%
-85
- C1 -
3VQH
3
KAPCA_HUMAN
A:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
D
F
L
K
K
W
E
S
P
A
Q
N
T
A
H
L
D
Q
F
E
R
I
K
T
L
G
T
G
S
F
G
R
V
M
L
V
K
H
K
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
K
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
N
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
P
F
F
A
D
Q
P
I
Q
I
Y
E
K
I
V
S
--
G
K
V
R
F
P
---
S
H
F
S
S
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
NL
K
N
G
V
N
D
I
K
N
H
K
W
F
A
T
T
D
W
I
--
A
I
Y
Q
R
K
V
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
----------------
D
D
Y
E
E
E
E
I
R
V
S
I
N
E
K
C
G
K
E
F
S
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
81.35
34%
-85
- C1 -
3OWP
2
KAPCA_HUMAN
A:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
D
F
L
K
K
W
E
S
P
A
Q
N
T
A
H
L
D
Q
F
E
R
I
K
T
L
G
T
G
S
F
G
R
V
M
L
V
K
H
K
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
K
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
N
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
P
F
F
A
D
Q
P
I
Q
I
Y
E
K
I
V
S
--
G
K
V
R
F
P
---
S
H
F
S
S
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
NL
K
N
G
V
N
D
I
K
N
H
K
W
F
A
T
T
D
W
I
--
A
I
Y
Q
R
K
V
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
----------------
D
D
Y
E
E
E
E
I
R
V
S
I
N
E
K
C
G
K
E
F
S
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
80.84
39%
-97
- C1 -
2ESM
1
ROCK1_HUMAN
A:
[75-383]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
K
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
-
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
----
M
K
M
N
K
---
E
G
M
V
R
C
D
T
-------
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
Q
G
GDGY
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
N
HK
N
S
L
T
F
P
D
-
D
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
-
T
D
R
E
V
R
L
G
--
R
N
G
V
E
E
I
K
R
H
L
F
F
K
N
D
Q
W
A
WE
T
L
R
D
T
V
A
P
--
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
-----------
E
E
D
K
G
E
E
E
T
F
P
I
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
80.27
34%
-85
- C1 -
3OVV
3
KAPCA_HUMAN
A:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
D
F
L
K
K
W
E
S
P
A
Q
N
T
A
H
L
D
Q
F
E
R
I
K
T
L
G
T
G
S
F
G
R
V
M
L
V
K
H
K
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
K
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
N
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
P
F
F
A
D
Q
P
I
Q
I
Y
E
K
I
V
S
--
G
K
V
R
F
P
---
S
H
F
S
S
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
NL
K
N
G
V
N
D
I
K
N
H
K
W
F
A
T
T
D
W
I
--
A
I
Y
Q
R
K
V
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
----------------
D
D
Y
E
E
E
E
I
R
V
S
I
N
E
K
C
G
K
E
F
S
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
79.95
34%
-86
- C1 -
3OOG
2
KAPCA_HUMAN
A:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
D
F
L
K
K
W
E
S
P
A
Q
N
T
A
H
L
D
Q
F
E
R
I
K
T
L
G
T
G
S
F
G
R
V
M
L
V
K
H
K
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
K
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
N
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
P
F
F
A
D
Q
P
I
Q
I
Y
E
K
I
V
S
--
G
K
V
R
F
P
---
S
H
F
S
S
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
NL
K
N
G
V
N
D
I
K
N
H
K
W
F
A
T
T
D
W
I
--
A
I
Y
Q
R
K
V
E
A
P
F
I
P
K
F
K
G
P
G
D
T
S
N
F
----------------
D
D
Y
E
E
E
E
I
R
V
S
I
N
E
K
C
G
K
E
F
S
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
79.77
34%
-83
- C1 -
3AGM
1
KAPCA_HUMAN
A:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
D
F
L
K
K
W
E
S
P
A
Q
N
T
A
H
L
D
Q
F
E
R
I
K
T
L
G
T
G
S
F
G
R
V
M
L
V
K
H
K
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
K
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
N
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
P
F
F
A
D
Q
P
I
Q
I
Y
E
K
I
V
S
--
G
K
V
R
F
P
---
S
H
F
S
S
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
NL
K
N
G
V
N
D
I
K
N
H
K
W
F
A
T
T
D
W
I
--
A
I
Y
Q
R
K
V
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
----------------
D
D
Y
E
E
E
E
I
R
V
S
I
N
E
K
C
G
K
E
F
S
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
79.67
34%
-82
- C1 -
3OXT
2
KAPCA_HUMAN
A:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
D
F
L
K
K
W
E
S
P
A
Q
N
T
A
H
L
D
Q
F
E
R
I
K
T
L
G
T
G
S
F
G
R
V
M
L
V
K
H
K
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
K
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
N
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
P
F
F
A
D
Q
P
I
Q
I
Y
E
K
I
V
S
--
G
K
V
R
F
P
---
S
H
F
S
S
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
NL
K
N
G
V
N
D
I
K
N
H
K
W
F
A
T
T
D
W
I
--
A
I
Y
Q
R
K
V
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
----------------
D
D
Y
E
E
E
E
I
R
V
S
I
N
E
K
C
G
K
E
F
S
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
78.70
34%
-79
- C1 -
3AGL
1
KAPCA_HUMAN
A:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
D
F
L
K
K
W
E
S
P
A
Q
N
T
A
H
L
D
Q
F
E
R
I
K
T
L
G
T
G
S
F
G
R
V
M
L
V
K
H
K
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
K
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
N
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
P
F
F
A
D
Q
P
I
Q
I
Y
E
K
I
V
S
--
G
K
V
R
F
P
---
S
H
F
S
S
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
NL
K
N
G
V
N
D
I
K
N
H
K
W
F
A
T
T
D
W
I
--
A
I
Y
Q
R
K
V
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
----------------
D
D
Y
E
E
E
E
I
R
V
S
I
N
E
K
C
G
K
E
F
S
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
78.59
34%
-85
- C1 -
3P0M
2
KAPCA_HUMAN
A:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
D
F
L
K
K
W
E
S
P
A
Q
N
T
A
H
L
D
Q
F
E
R
I
K
T
L
G
T
G
S
F
G
R
V
M
L
V
K
H
K
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
K
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
N
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
P
F
F
A
D
Q
P
I
Q
I
Y
E
K
I
V
S
--
G
K
V
R
F
P
---
S
H
F
S
S
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
NL
K
N
G
V
N
D
I
K
N
H
K
W
F
A
T
T
D
W
I
--
A
I
Y
Q
R
K
V
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
----------------
D
D
Y
E
E
E
E
I
R
V
S
I
N
E
K
C
G
K
E
F
S
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
78.55
34%
-83
- C1 -
3L9L
2
KAPCA_HUMAN
A:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
D
F
L
K
K
W
E
S
P
A
Q
N
T
A
H
L
D
Q
F
E
R
I
K
T
L
G
T
G
S
F
G
R
V
M
L
V
K
H
K
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
K
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
N
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
P
F
F
A
D
Q
P
I
Q
I
Y
E
K
I
V
S
--
G
K
V
R
F
P
---
S
H
F
S
S
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
NL
K
N
G
V
N
D
I
K
N
H
K
W
F
A
T
T
D
W
I
--
A
I
Y
Q
R
K
V
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
----------------
D
D
Y
E
E
E
E
I
R
V
S
I
N
E
K
C
G
K
E
F
S
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------