@TOME V2.3
(Nov 2016)
Ref.
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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 : PF00613_PK3CA_: (2014-09-12 )
MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELFKEARKYPLHQLLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLKLCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGWTTKMDWIFHTIKQHALN
Atome Classification :
(6 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.....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MPPRPSSG
E
L
W
G
I
H--L-M
P
P
R
I
L
V
E
C
LLPN
G
M
I
V
T
L
E
C
L
R
EAT
L
I
T
I
K
H
E
L
F
K
E
A
R
K
Y
P
L
H
Q
L
LQDES
S
Y
I
F
V
S
VT
Q
E
A
E
R
E
E
F
F
D
E
T
R
R
L
C
D
L
R
L
F
Q
P
F
L
K
V
I
E
PVG
N
R
E
E
K
I
L
N
R
EIGFAIGMPVCEFDMVKDP
E
V
Q
D
F
R
R
N
I
L
N
V
C
K
E
A
V
D
LRDLNSPHS
R
A
M
Y
V
YPPNVESSPEL
P
K
H
I
Y
NKLDKG
Q
I
I
V
V
I
W
V
I
VSPNND
K
Q
K
Y
T
L
K
INHDCV
P
E
Q
V
I
A
E
A
I
R
K
--
K
T
R
S
M
LL
S
S
E
Q
L
K
L
C
V
L
E
YQ
G
K
Y
I
L
K
VCGC
D
E
Y
F
L
E
KYP
L
S
Q
Y
K
Y
I
R
S
C
I
M
LGRMP
N
L
M
L
------
M
A
K
E
S
L
Y
S
QL
P
M
D
CFTMPSYSRRISTATPYMNGETST
K
S
L
W
V
I
NS
A
L
R
I
K
I
L
C
A
T
Y
V
N
V
N
I
R
D
I
D
-
K
I
Y
V
RTGIYHGGEPLCDNVNTQRVP-CSNPRWNE
W
L
N
Y
D
I
YIPDL
P
R
A
A
R
L
C
L
S
I
C
SVKGRKGAKEEHCP-
L
A
WGN
I
N
L
F
DY
T
D
T
LVSG
K
M
A
L
N
L
WP-VPH
G
L
E
D
L
-
L
N
P
IGVT-GSNPN-KETP-
C
L
E
L
E
F
D
W
F
S
S
-
V
VKFP
D
M
S
V
I
E
E
HAN
W
S
VSREAGFSYSHAGLSNRLARDNELREN
D
K
E
Q
L
K
AISTR
D
P
L
S
E
I
T
E
Q
E
K
D
F
L
WSHR
H
Y
C
V
-
T
I
P
E
I
L
P
K
L
L
L
S
VKWN
S
R
D
E
V
A
Q
M
Y
C
L-----VKDWPPI
K
-----
P
E
Q
A
M
E
L
LDCNYP
D
P
M
V
R
G
F
A
V
R
C
L
E
K
YL
T
D
D
K
L
S
Q
Y
L
I
Q
L
V
Q
V
L
K
Y
E
Q
Y
L
D
N
L
L
V
R
F
L
L
K
K
A
LTNQRI
G
H
F
F
F
W
H
L
K
S
E
M-H-N
K
T
V
S
Q
R
F
G
L
L
L
E
S
Y
C
R
A
C
-
G
M
Y
L
K
H
-
L
N
R
Q
V
E
A
M
E
K
L
I
N
L
T
-
D
I
--
L
K
Q
--EKKD
E
T
Q
K
V
--
Q
M
K
F
L
V
E
Q
MRR
P
D
F
M
D
A
L
Q
G
F
LSPL
N
P
A
H
Q
LGN
L
R
L
E
E
C
R
I
M
SSAKR
P
L
W
L
NWE
N
P
D
I
M
S
E
L
L
FQNN
E
I
I
FKN
G
D
D
L
R
Q
D
M
L
T
L
Q
I
I
R
I
M
E
N
I
W
QNQGL
D
L
R
MLP
Y
G
C
L
S
I
G
D
C
V
G
L
I
E
V
VRNS
H
T
I
M
Q
I
Q
-CK-GG
L
K
G
A
L
QFN
S
H
T
L
H
Q
W
L
K
DKNKG
E
-
I
Y
D
A
A
I
D
L
F
T
R
SC
A
G
Y
C
V
A
T
F
I
L
GIGDRHNS
N
I
M
V
KDD
G
Q
L
F
H
I
D
F
G
H
F
L
D
H
K
K
K
KFGYKRERV
P
F
V
LTQ
D
F
L
I
V
I
SK
G
A
Q
E
C
T
K
T
R
E
F
E
R
F
Q
E
M
C
Y
K
A
Y
L
A
I
R
Q
H
A
N
L
F
I
N
L
F
S
M
M
LGSGMP
E
L
QS
F
D
D
I
A
Y
I
R
K
T
LALDK
T
E
Q
E
A
L
E
Y
F
M
K
QMNDAHHGGWT
T
K
M
D
W
I
F
H
T
I
K
Q
HALN
33
HHSearch
78.24
41%
-107
- C2 -
2Y3A
1
PK3CB_MOUSE
A:
[41-1085]
-----------
A
V
D
SQ
I
A
S
D
G
A
I
S
V
D
F
L
L
P
T
G
I
Y
I
Q
L
E
V
P
R
E
A
T
I
S
Y
I
K
Q
M
L
W
K
Q
V
H
N
Y
P
M
F
N
L
L
M
D
I
D
S
Y
M
F
A
C
V
N
Q
T
A
V
Y
E
E
L
E
D
E
T
R
R
L
C
D
V
R
P
F
L
P
V
L
K
L
V
T
R
S
C
D
P
A
E
K
L
-
D
S
K
I
G
V
L
I
G
K
G
L
H
E
F
D
A
L
K
D
P
E
V
N
E
F
R
R
K
M
R
K
F
S
E
A
K
I
Q
S
L
V
G
L
S
W
I
D
W
L
K
H
T
Y
P
P
E
H
E
P
S
V
L
E
N
L
--
E
D
K
L
Y
G
G
K
L
V
V
A
V
H
F
----
E
N
S
Q
D
V
F
S
F
Q
V
S
P
N
L
N
P
I
K
I
N
E
L
A
I
Q
K
--
R
L
T
--------------
A
S
P
C
D
Y
V
L
Q
V
S
G
R
V
E
Y
V
F
G
D
H
P
L
I
Q
F
Q
Y
I
R
N
C
V
M
N
R
T
L
P
H
F
I
L
------
V
E
C
C
K
I
K
K
M
Y
E
Q
E
M
I
A
I
E
A
A
I
------------------
I
W
D
N
N
N
P
F
Q
I
T
L
V
K
G
N
K
L
N
T
E
--
E
T
V
-
K
V
H
V
R
A
G
L
F
H
G
T
E
L
L
C
K
T
V
V
S
S
E
I
S
G
K
N
D
H
I
W
N
E
Q
L
E
F
D
I
N
I
C
D
L
P
R
M
A
R
L
C
F
A
V
Y
A
V
-------------
V
A
W
V
N
T
M
V
F
D
F
K
G
Q
L
R
S
G
D
V
I
L
H
S
W
S
S
F
P
D
E
L
E
E
M
-
L
N
P
M
G
T
V
-
Q
T
N
P
Y
A
E
N
A
T
-
A
L
H
I
T
F
P
E
N
K
K
Q
P
C
Y
Y
P
P
F
D
K
I
I
E
K
A
A
E
L
A
-----------------------
G
K
K
F
L
A
V
L
K
E
I
L
D
R
D
P
L
S
Q
L
C
E
N
E
M
D
L
I
W
T
L
R
Q
D
C
R
E
N
F
P
Q
S
L
P
K
L
L
L
S
I
K
W
N
K
L
E
D
V
A
Q
L
Q
A
L
-----
L
Q
I
W
P
K
L
P
-----
P
R
E
A
L
E
L
L
D
F
N
Y
P
D
Q
Y
V
R
E
Y
A
V
G
C
L
R
Q
-
M
S
D
E
E
L
S
Q
Y
L
L
Q
L
V
Q
V
L
K
Y
E
P
F
L
D
C
A
L
S
R
F
L
L
E
R
A
L
D
N
R
R
I
G
Q
F
L
F
W
H
L
R
S
E
V
-
H
-
T
P
A
V
S
V
Q
F
G
V
I
L
E
A
Y
C
R
G
S
-
V
G
H
M
K
V
-
L
S
K
Q
V
E
A
L
N
K
L
K
T
L
N
-
S
L
--
I
K
L
--
N
A
V
K
L
S
R
A
K
--
G
K
E
A
M
H
T
C
L
K
Q
S
A
Y
R
E
A
L
S
D
L
Q
S
P
L
N
P
C
V
I
L
S
E
L
Y
V
E
K
C
K
Y
M
D
S
K
M
K
P
L
W
L
V
Y
S
S
R
A
F
G
E
D
S
V
----
G
V
I
F
K
N
G
D
D
L
R
Q
D
M
L
T
L
Q
M
L
R
L
M
D
L
L
W
K
E
A
G
L
D
L
R
M
L
P
Y
G
C
L
A
T
G
D
R
S
G
L
I
E
V
V
S
T
S
E
T
I
A
D
I
Q
-
L
N
S
S
N
V
A
A
T
A
A
F
N
K
D
A
L
L
N
W
L
K
E
Y
N
S
G
D
-
D
L
D
R
A
I
E
E
F
T
L
S
C
A
G
Y
C
V
A
S
Y
V
L
G
I
G
D
R
H
S
D
N
I
M
V
K
K
T
G
Q
L
F
H
I
D
F
G
H
I
L
G
N
F
K
S
K
F
G
I
K
R
E
R
V
P
F
I
L
T
Y
D
F
I
H
V
I
Q
Q
G
K
--
T
G
N
T
E
K
F
G
R
F
R
Q
C
C
E
D
A
Y
L
I
L
R
R
H
G
N
L
F
I
T
L
F
A
L
M
L
T
A
G
L
P
E
L
T
S
V
K
D
I
Q
Y
L
K
D
S
L
A
L
G
K
S
E
E
E
A
L
K
Q
F
K
Q
K
F
D
E
A
L
R
E
S
W
T
T
K
V
N
W
M
A
H
T
-------
22
Fugue
72.24
36%
-99
- C2 -
1E8X
1
PK3CG_PIG
A:
[1-951]
A
A
-----------------------------------------------------------------------------------------------------------
S
E
E
T
L
A
F
Q
R
Q
L
N
A
L
I
G
Y
D
V
T
D
V
S
N
V
H
D
D
E
L
E
F
T
R
R
R
L
V
T
P
R
M
A
E
V
A
G
R
D
------
P
K
L
Y
A
M
H
P
W
V
T
S
K
P
-
L
P
E
Y
L
L
K
K
I
T
N
N
C
V
F
I
V
I
H
------
R
S
T
T
S
Q
T
I
K
V
S
A
D
D
T
P
G
T
I
L
Q
S
F
F
T
K
--
M
----------------
A
N
E
R
D
F
V
L
R
V
C
G
R
D
E
Y
L
V
G
E
T
P
I
K
N
F
Q
W
V
R
Q
C
L
K
N
G
E
E
I
H
L
V
L
------
D
T
P
P
D
----------------------------
P
A
L
D
E
V
R
K
E
C
D
R
K
F
R
V
K
I
R
G
I
D
I
P
V
L
P
R
T
A
D
L
-
T
V
F
V
E
A
N
I
Q
Y
G
Q
Q
V
L
C
Q
R
R
T
S
P
K
P
F
-
T
E
E
V
L
W
N
V
W
L
E
F
S
I
K
I
K
D
L
P
K
G
A
L
L
N
L
Q
I
Y
C
Q
-----------
L
-
L
Y
Y
V
N
L
L
L
I
D
H
R
F
L
L
R
H
G
E
Y
V
L
H
M
W
Q
-
L
S
G
F
N
-----
A
D
K
L
T
S
-
A
T
N
P
D
-
K
E
N
S
---------
M
S
I
-
S
I
L
L
D
N
H
P
----------------------------
I
A
L
E
M
P
N
Q
L
R
K
Q
L
E
A
I
I
A
T
D
P
L
N
P
L
T
A
E
D
K
E
L
L
W
H
F
R
Y
E
S
L
-
K
D
P
K
A
Y
P
K
L
F
S
S
V
K
W
G
Q
Q
E
I
V
A
K
T
Y
Q
L
-----
L
A
K
R
E
V
W
D
Q
SALD
V
G
L
T
M
Q
L
L
D
C
N
F
S
D
E
N
V
R
A
I
A
V
Q
K
L
E
S
-
L
E
D
D
D
V
L
H
Y
L
L
Q
L
V
Q
A
V
K
F
E
P
Y
H
D
S
A
L
A
R
F
L
L
K
R
G
L
R
N
K
R
I
G
H
F
L
F
W
F
L
R
S
E
I
-
A
Q
S
R
H
Y
Q
Q
R
F
A
V
I
L
E
A
Y
L
R
G
C
G
T
A
M
L
H
D
-
F
T
Q
Q
V
Q
V
I
D
M
L
Q
K
V
T
-
I
D
--
I
K
S
L
S
A
E
K
Y
D
V
S
S
Q
--
V
I
S
Q
L
K
Q
K
L
E
N
L
Q
N
L
N
L
P
Q
S
F
R
V
P
Y
D
P
G
L
K
A
G
A
L
V
I
E
K
C
K
V
M
A
S
K
K
K
P
L
W
L
E
F
K
C
A
D
P
T
A
L
S
-
N
E
T
I
G
I
I
F
K
H
G
D
D
L
R
Q
D
M
L
I
L
Q
I
L
R
I
M
E
S
I
W
E
T
E
S
L
D
L
C
L
L
P
Y
G
C
I
S
T
G
D
K
I
G
M
I
E
I
V
K
D
A
T
T
I
A
K
I
Q
-
Q
S
-
T
V
G
N
T
G
A
F
K
D
E
V
L
S
H
W
L
K
E
K
C
P
I
E
E
-
K
F
Q
A
A
V
E
R
F
V
Y
S
C
A
G
Y
C
V
A
T
F
V
L
G
I
G
D
R
H
N
D
N
I
M
I
S
E
T
G
N
L
F
H
I
D
F
G
H
---------------
V
P
F
V
L
T
P
D
F
L
F
V
M
--
G
T
S
G
K
K
T
S
L
H
F
Q
K
F
Q
D
V
C
V
K
A
Y
L
A
L
R
H
H
T
N
L
L
I
I
L
F
S
M
M
L
M
T
G
M
P
Q
L
T
S
K
E
D
I
E
Y
I
R
D
A
L
T
V
G
K
S
E
E
D
A
K
K
Y
F
L
D
Q
I
E
V
C
R
D
K
G
W
T
V
Q
F
N
W
F
L
H
L
V
L
-----
6
PsiBlast_PDB
72.22
35%
-107
- C2 -
4FAD
1
PK3CG_HUMAN
A:
[2-949]
-------------------------------------------------------------------------------------------------------------
S
E
E
S
Q
A
F
Q
R
Q
L
T
A
L
I
G
Y
D
V
T
D
V
S
N
V
H
D
D
E
L
E
F
T
R
R
G
L
V
T
P
R
M
A
E
V
A
S
R
D
---
P
K
L
Y
A
M
H
---
P
W
V
T
S
K
P
-
L
P
E
Y
L
W
K
K
I
A
N
N
C
I
F
I
V
I
------
H
R
S
T
T
S
Q
T
I
K
V
S
P
D
D
T
P
G
A
I
L
Q
S
F
F
T
K
MA
K
--------------------
D
F
V
L
R
V
C
G
R
D
E
Y
L
V
G
E
T
P
I
K
N
F
Q
W
V
R
H
C
L
K
N
G
E
E
I
H
V
V
L
D
T
P
P
DP
A
L
D
E
V
R
K
E
E
-----------------------------
S
L
W
D
C
D
R
K
F
R
V
K
I
R
-
G
I
D
I
P
V
L
-----L
T
V
F
V
E
A
N
I
Q
H
G
Q
Q
V
L
C
Q
R
R
T
S
P
K
P
F
-
T
E
E
V
L
W
N
V
W
L
E
F
S
I
K
I
K
D
L
P
K
G
A
L
L
N
L
Q
I
Y
C
----------
V
Q
L
-
L
Y
Y
V
N
L
L
L
I
D
H
R
F
L
L
R
R
G
E
Y
V
L
H
M
W
Q
-
I
S
G
------
F
N
A
D
K
L
T
S
A
T
N
P
D
-
K
E
N
S
M
S
I
S
I
L
L
D
N
-----
I
A
L
P
----------------------------
R
A
E
M
P
N
Q
L
R
K
----
Q
L
E
A
I
I
A
T
D
P
L
N
P
L
T
A
E
D
K
E
L
L
W
H
F
R
Y
E
S
L
-
K
H
P
K
A
Y
P
K
L
F
S
S
V
K
W
G
Q
Q
E
I
V
A
K
T
Y
Q
L
L
A
R
R
E
V
W
D
Q
S
A
L
D
-----
V
G
L
T
M
Q
L
L
D
C
N
F
S
D
E
N
V
R
A
I
A
V
Q
K
L
E
S
-
L
E
D
D
D
V
L
H
Y
L
L
Q
L
V
Q
A
V
K
F
E
P
Y
H
D
S
A
L
A
R
F
L
L
K
R
G
L
R
N
K
R
I
G
H
F
L
F
W
F
L
R
S
E
I
A
Q
-
S
R
H
Y
Q
Q
R
F
A
V
I
L
E
A
Y
L
R
G
C
-
G
T
A
M
L
H
D
F
T
Q
Q
V
Q
V
I
E
M
L
Q
K
V
T
L
D
I
K
S
L
S
--------
S
S
Q
V
I
S
Q
L
K
Q
K
L
E
N
L
Q
N
S
Q
L
P
E
S
---
F
R
V
P
Y
D
P
G
L
K
A
G
A
L
A
I
E
K
C
K
V
M
A
S
K
K
K
P
L
W
L
E
F
K
C
A
D
-
P
T
A
L
S
N
E
T
I
G
I
I
F
K
H
G
D
D
L
R
Q
D
M
L
I
L
Q
I
L
R
I
M
E
S
I
W
E
T
E
S
L
D
L
C
L
L
P
Y
G
C
I
S
T
G
D
K
I
G
M
I
E
I
V
K
D
A
T
T
I
A
K
I
Q
Q
S
T
-
V
G
N
T
G
A
--
F
K
D
E
V
L
N
H
W
L
K
E
K
S
P
T
E
E
K
F
Q
A
A
V
E
R
F
V
Y
S
C
A
G
Y
C
V
A
T
F
V
L
G
I
G
D
R
H
N
D
N
I
M
I
T
E
T
G
N
L
F
H
I
D
F
G
H
I
L
G
N
Y
----------
V
P
F
V
L
T
P
D
F
L
F
V
M
G
T
S
G
K
K
T
S
P
--
H
F
Q
K
F
Q
D
I
C
V
K
A
Y
L
A
L
R
H
H
T
N
L
L
I
I
L
F
S
M
M
L
M
T
G
M
P
Q
L
T
S
K
E
D
I
E
Y
I
R
D
A
L
T
V
G
K
N
E
E
D
A
K
K
Y
F
L
D
Q
I
E
V
C
R
D
K
G
W
T
V
Q
F
N
W
F
L
H
L
V
------
5
PsiBlast_PDB
71.83
35%
-106
- C2 -
4FJY
1
PK3CG_HUMAN
A:
[2-946]
-------------------------------------------------------------------------------------------------------------
S
E
E
S
Q
A
F
Q
R
Q
L
T
A
L
I
G
Y
D
V
T
D
V
S
N
V
H
D
D
E
L
E
F
T
R
R
G
L
V
T
P
R
M
A
E
V
A
S
R
D
---
P
K
L
Y
A
M
H
---
P
W
V
T
S
K
P
-
L
P
E
Y
L
W
K
K
I
A
N
N
C
I
F
I
V
I
------
H
R
S
T
T
S
Q
T
I
K
V
S
P
D
D
T
P
G
A
I
L
Q
S
F
--------------------------
D
F
V
L
R
V
C
G
R
D
E
Y
L
V
G
E
T
P
I
K
N
F
Q
W
V
R
H
C
L
K
N
G
E
E
I
H
V
V
L
DTPPDP
A
L
D
E
V
R
K
E
----------------------------
T
V
S
L
W
D
C
D
R
K
F
R
V
K
I
R
-
G
I
D
I
P
V
L
----
D
L
T
V
F
V
E
A
N
I
Q
H
G
Q
Q
V
L
C
Q
R
R
T
S
P
K
P
F
-
T
E
E
V
L
W
N
V
W
L
E
F
S
I
K
I
K
D
L
P
K
G
A
L
L
N
L
Q
I
Y
C
G
--------
K
V
Q
L
-
L
Y
Y
V
N
L
L
L
I
D
H
R
F
L
L
R
R
G
E
Y
V
L
H
M
W
Q
-
I
S
------S
F
N
A
D
K
L
T
S
A
T
N
P
D
-
K
E
N
S
M
S
I
S
I
L
L
D
N
----
P
I
A
L
P
K
H
Q
------------------------
V
R
A
E
M
P
N
Q
L
R
K
----
Q
L
E
A
I
I
A
T
D
P
L
N
P
L
T
A
E
D
K
E
L
L
W
H
F
R
Y
E
S
L
-
K
H
P
K
A
Y
P
K
L
F
S
S
V
K
W
G
Q
Q
E
I
V
A
K
T
Y
Q
L
L
A
R
R
E
V
W
D
Q
S
A
L
D
-----
V
G
L
T
M
Q
L
L
D
C
N
F
S
D
E
N
V
R
A
I
A
V
Q
K
L
E
S
-
L
E
D
D
D
V
L
H
Y
L
L
Q
L
V
Q
A
V
K
F
E
P
Y
H
D
S
A
L
A
R
F
L
L
K
R
G
L
R
N
K
R
I
G
H
F
L
F
W
F
L
R
S
E
I
A
Q
-
S
R
H
Y
Q
Q
R
F
A
V
I
L
E
A
Y
L
R
G
C
-
G
T
A
M
L
H
D
F
T
Q
Q
V
Q
V
I
E
M
L
Q
K
V
T
L
D
I
K
S
L
S
A
--
E
--
D
V
S
S
Q
V
I
S
Q
L
K
Q
K
L
E
N
L
Q
N
S
Q
L
P
E
S
---
F
R
V
P
Y
D
P
G
L
K
A
G
A
L
A
I
E
K
C
K
V
M
A
S
K
K
K
P
L
W
L
E
F
K
C
A
D
-
P
T
A
L
S
N
E
T
I
G
I
I
F
K
H
G
D
D
L
R
Q
D
M
L
I
L
Q
I
L
R
I
M
E
S
I
W
E
T
E
S
L
D
L
C
L
L
P
Y
G
C
I
S
T
G
D
K
I
G
M
I
E
I
V
K
D
A
T
T
I
A
K
I
Q
Q
S
T
-
V
G
N
T
G
A
--
F
K
D
E
V
L
N
H
W
L
K
E
K
S
P
T
E
E
K
F
Q
A
A
V
E
R
F
V
Y
S
C
A
G
Y
C
V
A
T
F
V
L
G
I
G
D
R
H
N
D
N
I
M
I
T
E
T
G
N
L
F
H
I
D
F
G
H
I
------------
E
R
V
P
F
V
L
T
P
D
F
L
F
V
M
G
T
S
G
K
K
T
S
P
--
H
F
Q
K
F
Q
D
I
C
V
K
A
Y
L
A
L
R
H
H
T
N
L
L
I
I
L
F
S
M
M
L
M
T
G
M
P
Q
L
T
S
K
E
D
I
E
Y
I
R
D
A
L
T
V
G
K
N
E
E
D
A
K
K
Y
F
L
D
Q
I
E
V
C
R
D
K
G
W
T
V
Q
F
N
W
F
L
---------
4
PsiBlast_PDB
71.62
35%
-107
- C2 -
3QK0
1
PK3CG_HUMAN
A:
[5-949]
----------------------------------------------------------------------------------------------------------------
S
Q
A
F
Q
R
Q
L
T
A
L
I
G
Y
D
V
T
D
V
S
N
V
H
D
D
E
L
E
F
T
R
R
G
L
V
T
P
R
M
A
E
V
A
S
R
D
---
P
K
L
Y
A
M
H
---
P
W
V
T
S
K
P
-
L
P
E
Y
L
W
K
K
I
A
N
N
C
I
F
I
V
I
------
H
R
S
T
T
S
Q
T
I
K
V
S
P
D
D
T
P
G
A
I
L
Q
S
F
--------------------------
D
F
V
L
R
V
C
G
R
D
E
Y
L
V
G
E
T
P
I
K
N
F
Q
W
V
R
H
C
L
K
N
G
E
E
I
H
V
V
L
DTPPDP
A
L
D
E
V
R
K
-----------------------------------
C
D
R
K
F
R
V
K
I
R
-
G
I
D
I
P
V
L
-----L
T
V
F
V
E
A
N
I
Q
H
G
Q
Q
V
L
C
Q
R
R
T
S
P
K
P
F
-
T
E
E
V
L
W
N
V
W
L
E
F
S
I
K
I
K
D
L
P
K
G
A
L
L
N
L
Q
I
Y
C
G
--------
K
V
Q
L
-
L
Y
Y
V
N
L
L
L
I
D
H
R
F
L
L
R
R
G
E
Y
V
L
H
M
W
Q
-
I
S
------S
F
N
A
D
K
L
T
S
A
T
N
P
D
-
K
E
N
S
M
S
I
S
I
L
L
D
N
--------------------------------------
A
E
M
P
N
Q
L
R
K
----
Q
L
E
A
I
I
A
T
D
P
L
N
P
L
T
A
E
D
K
E
L
L
W
H
F
R
Y
E
S
L
-
K
H
P
K
A
Y
P
K
L
F
S
S
V
K
W
G
Q
Q
E
I
V
A
K
T
Y
Q
L
L
A
R
R
E
V
W
D
Q
S
A
L
D
-----
V
G
L
T
M
Q
L
L
D
C
N
F
S
D
E
N
V
R
A
I
A
V
Q
K
L
E
S
-
L
E
D
D
D
V
L
H
Y
L
L
Q
L
V
Q
A
V
K
F
E
P
Y
H
D
S
A
L
A
R
F
L
L
K
R
G
L
R
N
K
R
I
G
H
F
L
F
W
F
L
R
S
E
I
A
Q
-
S
R
H
Y
Q
Q
R
F
A
V
I
L
E
A
Y
L
R
G
C
-
G
T
A
M
L
H
D
F
T
Q
Q
V
Q
V
I
E
M
L
Q
K
V
T
L
D
I
K
S
L
S
------
D
V
S
S
Q
V
I
S
Q
L
K
Q
K
L
E
N
L
Q
N
S
Q
L
P
E
S
---
F
R
V
P
Y
D
P
G
L
K
A
G
A
L
A
I
E
K
C
K
V
M
A
S
K
K
K
P
L
W
L
E
F
K
C
A
D
-
P
T
A
L
S
N
E
T
I
G
I
I
F
K
H
G
D
D
L
R
Q
D
M
L
I
L
Q
I
L
R
I
M
E
S
I
W
E
T
E
S
L
D
L
C
L
L
P
Y
G
C
I
S
T
G
D
K
I
G
M
I
E
I
V
K
D
A
T
T
I
A
K
I
Q
Q
S
T
-
V
G
N
T
G
A
--
F
K
D
E
V
L
N
H
W
L
K
E
K
S
P
T
E
E
K
F
Q
A
A
V
E
R
F
V
Y
S
C
A
G
Y
C
V
A
T
F
V
L
G
I
G
D
R
H
N
D
N
I
M
I
T
E
T
G
N
L
F
H
I
D
F
G
H
I
------------
E
R
V
P
F
V
L
T
P
D
F
L
F
V
M
G
T
S
G
K
K
T
S
P
--
H
F
Q
K
F
Q
D
I
C
V
K
A
Y
L
A
L
R
H
H
T
N
L
L
I
I
L
F
S
M
M
L
M
T
G
M
P
Q
L
T
S
K
E
D
I
E
Y
I
R
D
A
L
T
V
G
K
N
E
E
D
A
K
K
Y
F
L
D
Q
I
E
V
C
R
D
K
G
W
T
V
Q
F
N
W
F
L
H
L
V
------
7
PsiBlast_PDB
70.91
35%
-106
- C2 -
3ML8
1
PK3CG_HUMAN
A:
[2-949]
-------------------------------------------------------------------------------------------------------------
S
E
E
S
Q
A
F
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Q
L
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A
L
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D
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M
A
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A
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---
P
K
L
Y
A
M
H
---
P
W
V
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K
P
-
L
P
E
Y
L
W
K
K
I
A
N
N
C
I
F
I
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I
------
H
R
S
T
T
S
Q
T
I
K
V
S
P
D
D
T
P
G
A
I
L
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F
F
T
------------------------
D
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L
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D
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V
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K
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E
---------------------------
T
V
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L
W
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C
D
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F
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V
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-
G
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-----L
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A
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C
-------------L
L
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V
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L
L
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L
L
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-
I
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-----S
F
N
A
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L
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S
A
T
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P
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-
K
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N
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-
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K
---------------------------
R
A
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----
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-----
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--------
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---
F
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F
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--------
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R
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C
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D
K
G
W
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Q
F
N
W
F
L
H
L
V
------