@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 : APJ_HUMAN: (2016-01-09 )
MEEGGDFDNYYGADNQSECEYTDWKSSGALIPAIYMLVFLLGTTGNGLVLWTVFRSSREKRRSADIFIASLAVADLTFVVTLPLWATYTYRDYDWPFGTFFCKLSSYLIFVNMYASVFCLTGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAMPVMVLRTTGDLENTTKVQCYMDYSMVATVSSEWAWEVGLGVSSTTVGFVVPFTIMLTCYFFIAQTIAGHFRKERIEGLRKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGSLLHWPCDFDLFLMNIFPYCTCISYVNSCLNPFLYAFFDPRFRQACTSMLCCGQSRCAGTSHSSSGEKSASYSSGHSQGPGPNMGKGGEQMHEKSIPYSQETLVVD
Atome Classification :
(20 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-----------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M--EEGGDFDNYYGADNQSEC--------EYTD-WK------S-SG
A
-
L
I
P
A
I
Y
M
L
V
F
L
LGTTGN
G
L
V
L
W
T
V
F
RS
S
R
E
K--RRSA
D
I
F
I
A
S
LAVA
D
L
T
F
V
V
-
T
--LP
L
W
A
T
Y
T
Y
RDYDWP
F
G
T
F
F
C
K
L
S
S
Y
L
I
F
V
N
M
Y
A
S
V
F
C
LTGL
S
F
D
R
Y
L
A
I
V
----
R
PVAN
A
R
L
---
R
L
R
VS
G
A
V
A
T
A
V
L
-
W
V
L
A
A
L
L
A
M
P
V
M
V
L
-
R
TTGDL-EN
T
T
K
V
Q
C
Y
M
D
Y
S
M
V
A
TVSSE
W
A
W
E
VGLGVSS
T
T
V
G
-
F
V
V
P
F
T
I
M
L
T
C
Y
-
F
F
I
A
Q
T
I
---------------------------------------------
A
G
-
H
F
R
---------------------------------------
K
----------------------------------------------
E
R
------------------------------------------------------------------------------------------------------------------------------------------------------------
I
-------------------------------------------------------------------------------------------------------------------------------------------------------------
E
G
L
R
--
K
R
R
R
L
L
S
I
I
V
V
L
V
V
T
F
A
L
C
W
M
P
Y
H
L
---
V
K
T
L
Y
M
L
G
S
L
-L--H---W---P--C
D
F
--------------
D
L
F
L
M
N
I
F
P
Y
C
T
C
I
S
Y
V
N
S
C
L
N
P
F
L
Y
A
FF
D
P
R
F
R
--------
Q
A
C
T
S
M
L
C---C-GQSRCAGTSHSSSGEKSASYSSGHSQGPGPNMGKG
G
E
Q
M
H
EKSIPYSQE
T
L
VVD-------------------------------------------------------------------------------------------------------------
35
HHSearch
89.40
30%
-156
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[47-496]
--------------------------------------------
N
K
I
-
F
L
P
T
I
Y
S
I
I
F
L
T
G
I
V
G
N
G
L
V
I
L
V
M
G
Y
Q
K
K
-
L
--
R
S
M
T
D
K
Y
R
L
H
L
S
V
A
D
L
L
F
V
I
-
T
--
L
P
F
W
A
V
D
A
V
--
A
N
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
----
H
A
T
N
S
Q
R
P
---
R
K
L
L
A
E
K
V
V
Y
V
G
V
-
W
I
P
A
L
L
L
T
I
P
D
F
I
F
-
A
N
V
S
E
---
A
D
D
R
Y
I
C
D
R
F
Y
P
N
-------
D
L
W
V
V
V
F
Q
F
Q
H
I
M
V
G
-
L
I
L
P
G
I
V
I
L
S
C
Y
-
C
I
I
I
S
K
L
---------------------------------------------
S
H
-
S
G
S
---------------------------------------
N
----------------------------------------------
I
F
------------------------------------------------------------------------------------------------------------------------------------------------------------
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
IGRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKLK
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KRW
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYG
S
K
G
H
--
Q
K
R
K
A
L
K
T
T
V
I
L
I
L
A
F
F
A
C
W
L
P
Y
Y
I
---
G
I
S
I
D
S
F
I
L
L
-
E
I
I
K
---
Q
---
G
--
C
E
F
--------------
E
N
T
V
H
K
W
I
S
I
T
E
A
L
A
F
F
H
C
C
L
N
P
I
L
Y
A
F
L
G
A
K
F
K
--------
T
S
A
Q
H
A
L
T
---
S
-
G
R
P
L
E
V
L
F
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------
53
Fugue
88.59
28%
-152
- C3 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
-----------------
S
F
K
C
--------
A
L
T
K
-
T
G
------
F
-
Q
F
Y
-
Y
L
P
A
V
Y
I
L
V
F
I
I
G
F
L
G
N
S
V
A
I
W
M
F
V
F
H
M
K
-
P
--
W
S
G
I
S
V
Y
M
F
N
L
A
L
A
D
F
L
Y
V
L
-
T
--
L
P
A
L
I
F
Y
Y
F
N
K
T
D
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
----
Y
P
K
S
L
G
R
L
---
K
K
K
-
N
A
I
C
I
S
V
L
V
-
W
L
I
V
V
V
A
I
S
P
I
L
F
Y
-
S
G
T
G
V
R
-
K
N
K
T
-
I
T
C
Y
------
D
T
T
S
D
E
Y
L
R
S
Y
F
I
Y
S
M
C
T
T
V
A
M
F
C
V
P
L
V
L
I
L
G
C
Y
-
G
L
I
V
R
A
L
---------------------------------------------
I
Y
-
K
M
K
K
Y
T
C
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIVCPLCGVG
K
----------------------------------------------
D
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------
E
E
V
E
E
P
L
R
R
K
S
I
Y
L
V
I
I
V
L
T
V
F
A
V
S
Y
I
P
F
H
V
---
M
K
T
M
N
L
R
A
R
L
-
D
--
F
QTP
A
---
M
--
C
A
F
--------------
N
D
R
V
Y
A
T
Y
Q
V
T
R
G
L
A
S
L
N
S
C
V
N
P
I
L
Y
F
L
A
G
D
T
F
R
--------
R
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
87.34
25%
-140
* C3 *
2RH1
16
ADRB2_HUMAN (first)
A:
[42-477]
------------------------------------------------
G
M
G
I
V
M
S
L
I
V
L
A
I
V
F
G
N
V
L
V
I
T
A
I
A
K
F
E
R
-
L
--
Q
T
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
-
A
V-
V
P
F
G
A
A
H
I
L
-
M
K
M
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
----
S
P
F
K
Y
Q
S
L
---
L
T
K
N
K
A
R
V
I
I
L
M
V
-
W
I
V
S
G
L
T
S
F
L
P
I
Q
M
H
W
Y
R
A
T
H
---
Q
E
A
I
N
C
Y
A
E
E
T
---
C
C
--
D
F
F
T
N
Q
A
Y
A
I
A
S
S
I
V
S
-
F
Y
V
P
L
V
I
M
V
F
V
Y
-
S
R
V
F
Q
E
A
---------------------------------------------
K
R
-
Q
L
N
---------------------------------------
I
----------------------------------------------
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDA-
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------
K
F
C
L
--
K
E
H
K
A
L
K
T
L
G
I
I
M
G
T
F
T
L
C
W
L
P
F
F
I
---
V
N
I
V
H
V
I
Q
D
N
-
L
--------------
I
------------------
R
K
E
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
P
L
I
Y
C
-
R
S
P
D
F
R
--------
I
A
F
Q
E
L
L
C
---
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
HHSearch
86.88
26%
-151
- C3 -
3PBL
2
DRD3_HUMAN (first)
A:
[41-472]
-------------------------------------------------
Y
A
L
S
Y
C
A
L
I
L
A
I
V
F
G
N
G
L
V
C
M
A
V
L
K
E
R
A
-
L
--
Q
T
T
T
N
Y
L
V
V
S
L
A
V
A
D
L
L
V
A
T
L
V
--
M
P
W
V
V
Y
L
E
V
T
G
G
V
W
N
F
S
R
I
C
C
D
V
F
V
T
L
D
V
M
M
C
T
A
S
I
W
N
L
C
A
I
S
I
D
R
Y
T
A
V
V
----
M
P
V
H
Y
Q
H
G
T
G
Q
S
S
C
R
R
V
A
L
M
I
T
A
V
-
W
V
L
A
F
A
V
S
C
P
L
L
F
G
-
F
N
T
T
-----
G
D
P
T
V
C
S
I
S
N
P
-------------
D
F
V
I
Y
S
S
V
V
S
-
F
Y
L
P
F
G
V
T
V
L
V
Y
-
A
R
I
Y
V
V
L
---------------------------------------------
K
Q
-
R
R
R
---------------------------------------
K
----------------------------------------------
N
I
------------------------------------------------------------------------------------------------------------------------------------------------------------
F
E
M
L
R
I
D
E
GLRL
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
GTWDAY
G
V
P
L
--
R
E
K
K
A
T
Q
M
V
A
I
V
L
G
A
F
I
V
C
W
L
P
F
F
L
---
T
H
V
L
N
T
H
C
Q
T
-
C
--------------
H
V
-----------------
S
P
E
L
Y
S
A
T
T
W
L
G
Y
V
N
S
A
L
N
P
V
I
Y
T
T
F
N
I
E
F
R
--------
K
A
F
L
K
I
L
S
---
C
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
83.62
30%
-137
- C3 -
4RWD
6
C562_ECOLX (first)
A:
[125-406]
-------------------------------------------------
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
--
T
-
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
--
L
P
-
F
Q
S
A
K
Y
L
M
E
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
----
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
-
W
V
L
A
S
G
V
G
V
P
I
M
V
M
-
A
V
T
R
P
R
-
D
G
A
--
V
V
C
M
L
Q
F
P
-----
S
P
S
W
Y
W
D
T
V
T
K
I
C
V
F
L
F
A
-
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
R
---------------------------------------------
S
V
-
R
L
L
---------------------------------------
S
----------------------------------------------
G
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------
E
K
D
R
--
S
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
---
F
V
I
V
W
T
L
V
D
I
-
D
--
R
---
R
-----------------------
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
--------
R
-
C
F
R
Q
L
C
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
83.30
29%
-163
- C3 -
4XT3
2
US28_HCMVA
A:
[26-316]
---------------
E
D
A
T
P
C
--------
V
F
T
D
V
L
N
------
Q
-
S
K
P
-
V
T
L
F
L
Y
G
V
V
F
L
F
G
S
I
G
N
F
L
V
I
F
T
I
-
T
W
R
R
R
I
--
Q
C
S
G
D
V
Y
F
I
N
L
A
A
A
D
L
L
F
V
C
-
T
--
L
P
L
W
M
Q
Y
L
L
-
D
H
----
A
S
V
P
C
T
L
L
T
A
C
F
Y
V
A
M
F
A
S
L
C
F
I
T
E
I
A
L
D
R
Y
Y
A
I
V
YM
R
Y
R
P
V
K
Q
A
-----------
C
L
F
S
I
F
W
-
W
I
F
A
V
I
I
A
I
P
H
F
M
V
-
V
T
K
K
D
-------
N
Q
C
M
T
D
Y
D
Y
L
-----
E
V
S
Y
P
I
I
L
N
V
E
L
M
L
G
A
-
F
V
I
P
L
S
V
I
S
Y
C
Y
-
Y
R
I
S
R
I
V
---------------------------------------------
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
-------------------------------------------------------------------------------------------------------------------------------------------------------------
S
Q
S
R
--
H
K
G
R
I
V
R
V
L
I
A
V
V
L
V
F
I
I
F
W
L
P
Y
H
L
T
L
F
V
D
T
L
----
K
L
-
L
--
K
---
W
I
S
S
S
--
C
E
F
--------------
E
R
S
L
K
R
A
L
I
L
T
E
S
L
A
F
C
H
C
C
L
N
P
L
L
Y
V
F
V
G
T
K
F
R
--------
Q
E
L
H
C
L
L
A
---
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
83.12
23%
-148
- C3 -
4MBS
8
CCR5_HUMAN (first)
A:
[21-366]
-------------------
P
C
--------
Q
K
I
N
-
V
K
------
Q
-
I
A
A
R
L
L
P
P
L
Y
S
L
V
F
I
F
G
F
V
G
N
M
L
V
I
L
I
L
I
N
Y
K
R
L
K
--
S
M
T
-
D
I
Y
L
L
N
L
A
I
S
D
L
F
F
L
L
-
T
--
V
P
F
W
A
H
Y
A
A
A
Q
--
W
D
F
G
N
T
M
C
Q
L
L
T
G
L
Y
F
I
G
F
F
S
G
I
F
F
I
I
L
L
T
I
D
R
Y
L
A
V
V
----
H
A
V
F
A
L
K
A
---
R
T
V
T
F
G
V
V
T
S
V
I
T
-
W
V
V
A
V
F
A
S
L
P
N
I
I
F
-
T
R
S
Q
K
E
-
G
L
H
Y
T
C
S
S
H
F
P
Y
S
Q
Y
Q
------
F
W
K
N
F
Q
T
L
K
I
V
I
L
G
-
L
V
L
P
L
L
V
M
V
I
C
Y
-
S
G
I
L
K
T
L
L
R
M
K
K
Y
T
C
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIPDDWVCPLCG
V
G
-
K
D
Q
---------------------------------------
F
----------------------------------------------
E
E
------------------------------------------------------------------------------------------------------------------------------------------------------------
V
-------------------------------------------------------------------------------------------------------------------------------------------------------------
E
E
E
K
--
K
R
H
R
D
V
R
L
I
F
T
I
M
I
V
Y
F
L
F
W
A
P
Y
N
I
---
V
L
L
L
N
T
F
Q
E
F
-
F
--
G
---
L
N--
N
--
C
S
S
--------------
S
N
R
L
D
Q
A
M
Q
V
T
E
T
L
G
M
T
H
C
C
I
N
P
I
I
Y
A
F
V
G
E
E
F
R
N
Y
L
L
V
F
F
Q--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
HHSearch
82.96
22%
-137
- C3 -
3EML
13
ENLYS_BPT4
A:
[22-471]
----------------------------------------------
S
-
V
Y
I
T
V
E
L
A
I
A
V
L
A
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
-
L
--
Q
N
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
A
V
G
V
L
A
--
I
P
F
A
I
T
I
S
---
T
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
----
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
K
G
I
I
A
I
C
-
W
V
L
S
F
A
I
G
L
T
P
M
L
G
-
W
N
N
C
G
Q
-----
S
Q
G
C
G
E
G
Q
V
A
C
L
-
F
E
-
D
V
V
P
M
N
Y
M
V
Y
F
N
F
F
A
C
-
V
L
V
P
L
L
L
M
L
G
V
Y
-
L
R
I
F
L
A
A
---------------------------------------------
R
R
-
Q
L
N
---------------------------------------
I
----------------------------------------------
F
E
M
L
R
I
D
E
GLRL
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTW
D
A
Y
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------
S
T
L
Q
--
K
E
V
H
A
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
---
I
N
C
F
T
F
F
C
P
D
-
C
--------------
S
H
----------------
A
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
--------
Q
T
F
R
K
I
I
R
---
S
-
H
V
L
R
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
82.71
25%
-154
- C3 -
4XNW
2
RUBR_CLOPA
A:
[53-382]
-------------------------------------------------
L
P
A
V
Y
I
L
V
F
I
I
G
F
L
G
N
S
V
A
I
W
-
M
F
V
F
H
M
K
P
--
W
S
G
I
S
V
Y
M
F
N
L
A
L
A
D
F
L
Y
V
L
-
T
--
L
P
A
L
I
F
Y
Y
F
N
K
T
D
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
----
Y
P
L
K
S
L
G
----
R
L
K
K
K
N
A
I
C
I
S
V
L
V
W
L
I
V
V
V
A
I
S
P
I
L
F
Y
-
S
G
T
G
V
R
-
K
N
K
T
-
I
T
C
Y
------
D
T
T
S
D
E
Y
L
R
S
Y
F
I
Y
S
M
C
T
T
V
A
M
F
C
V
P
L
V
L
I
L
G
C
Y
-
G
L
I
V
R
A
L
---------------------------------------------
I
Y
-
K
M
K
---------------------------------------
K
Y
T
C
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQ
F
E
E
------------------------------------------------------------------------------------------------------------------------------------------------------------
V
-------------------------------------------------------------------------------------------------------------------------------------------------------------
E
E
P
L
--
R
R
K
S
I
Y
L
V
I
I
V
L
T
V
-
F
A
V
S
Y
I
P
F
H
V
---
M
K
T
M
N
L
R
A
R
L
D
F
--
Q
---
T
---
P
AM
C
A
F
--------------
N
D
R
V
Y
A
T
Y
Q
V
T
R
G
L
A
S
L
N
S
C
V
N
P
I
L
Y
F
L
A
G
D
T
F
R
--------
R
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
82.48
30%
-144
- C3 -
4RWA
2
C562_ECOLX (first)
A:
[125-406]
-------------------------------------------------
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
--
T
-
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
--
L
P
-
F
Q
S
A
K
Y
L
M
E
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
----
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
-
W
V
L
A
S
G
V
G
V
P
I
M
V
M
-
A
V
T
R
P
R
-
D
G
A
--
V
V
C
M
L
Q
F
P
-----
S
P
S
W
Y
W
D
T
V
T
K
I
C
V
F
L
F
A
-
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
--------------------------------------------------------------------------------------------------------------------------------------------
G
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------
E
K
D
R
--
S
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
---
F
V
I
V
W
T
L
V
D
I
-
D
--
R
---
R
-----------------------
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
--------
R
-
C
F
R
Q
L
C
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
82.37
23%
-130
- C3 -
3UON
4
ACM2_HUMAN (first)
A:
[24-457]
----------------------------------------------
V
-
F
I
V
L
V
A
G
S
L
S
L
V
T
I
I
G
N
I
L
V
M
V
S
I
K
V
N
R
H
-
L
--
Q
T
V
N
N
Y
F
L
F
S
L
A
C
A
D
L
I
I
G
V
F
S
--
M
N
L
Y
T
L
Y
T
V
-
I
G
Y
W
P
L
G
P
V
V
C
D
L
W
L
A
L
D
Y
V
V
S
N
A
S
V
M
N
L
L
I
I
S
F
D
R
Y
F
C
V
T
----
K
P
L
T
Y
P
V
K
---
R
T
T
K
M
A
G
M
M
I
A
A
A
-
W
V
L
S
F
I
L
W
A
P
A
I
L
F
-
W
Q
F
I
V
G
V
R
T
V
E
D
G
E
C
Y
I
Q
F
F
----------
S
N
A
A
V
T
F
G
T
A
I
A
A
-
F
Y
L
P
V
I
I
M
T
V
L
Y
-
W
H
I
S
R
A
S
---------------------------------------------
K
S
-
R
I
N
---------------------------------------
I
----------------------------------------------
F
E
M
L
R
I
D
EGLRL
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDA-
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------
P
P
P
S
--
R
E
K
K
V
T
R
T
I
L
A
I
L
L
A
F
I
I
T
W
A
P
Y
N
V
---
M
V
L
I
N
T
F
C
A
P
-
C
--------------
I
P
------------------
N
T
V
W
T
I
G
Y
W
L
C
Y
I
N
S
T
I
N
P
A
C
Y
A
L
C
N
A
T
F
K
--------
K
T
F
K
H
L
L
M
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
82.32
30%
-139
- C3 -
4N6H
22
OPRD_HUMAN
A:
[128-414]
-------------------------------------------------
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
--
T
-
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
--
L
P
-
F
Q
S
A
K
Y
L
M
E
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
----
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
-
W
V
L
A
S
G
V
G
V
P
I
M
V
M
-
A
V
T
R
P
R
-
D
G
A
--
V
V
C
M
L
Q
F
P
-----
S
P
S
W
Y
W
D
T
V
T
K
I
C
V
F
L
F
A
-
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
R
---------------------------------------------
S
V
-
R
L
L
---------------------------------------
S
----------------------------------------------
G
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------
E
K
D
R
--
S
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
---
F
V
I
V
W
T
L
V
D
I
-
D
--
R
---
R
-----------------------
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
--------
R
-
C
F
R
Q
L
C
R
K
P
C
-
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------
59
Fugue
81.93
24%
-108
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-502]
-------------------
P
C
--------
F
R
E
E
-
N
A
------
N
F
N
K
I
-
F
L
P
T
I
Y
S
I
I
F
L
T
G
I
V
G
N
G
L
V
I
L
V
M
G
Y
Q
K
K
-
L
--
R
S
M
T
D
K
Y
R
L
H
L
S
V
A
D
L
L
F
V
I
-
T
--
L
P
F
W
A
V
D
A
V
A
N
--
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
----
H
A
T
N
S
Q
R
P
---
R
K
L
L
A
E
K
V
V
Y
V
G
V
-
W
I
P
A
L
L
L
T
I
P
D
F
I
F
-
A
N
V
S
E
A
-
D
D
R
---------
Y
I
C
D
R
F
Y
P
N
D
L
W
V
V
V
F
Q
F
Q
H
I
M
V
G
-
L
I
L
P
G
I
V
I
L
S
C
Y
-
C
I
I
I
S
K
L
---------------------------------------------
S
H
-
S
-
G
---------------------------------------
S
----------------------------------------------
N
I
------------------------------------------------------------------------------------------------------------------------------------------------------------
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------
E
M
L
R
--
I
D
E
G
L
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
---
T
K
S
P
S
L
N
A
A
K
-
S
--
E
---
L
---
D
--
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
-
N
A
K
L
K
P
-
V
Y
D
S
L
D
A
V
R
R
--------
A
A
L
I
N
M
V
F
---
Q
M
G
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
K
R
W
D
E
A
A
V
N
L
A
K
-------
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYGSK
G
H
Q
K
R
K
A
L
K
T
T
V
I
L
I
L
A
F
F
A
C
W
L
P
Y
Y
I
G
I
S
I
D
S
F
I
L
L
EI
I
K
Q
G
C
E
F
E
N
T
V
H
K
W
I
S
I
T
E
A
L
A
F
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ
55
Fugue
81.90
20%
-113
- C3 -
1F88
8
OPSD_BOVIN
A:
[1-348]
M
N
G
T
E
G
P
N
F
-
Y
V
P
F
S
N
K
T
G
V
V
RSPFEAPQ
Y
Y
L
A
-
E
P
------
W
-
Q
F
S
-
M
L
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
---
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
-
G
--
G
F
T
T
T
L
Y
T
S
L
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
----
K
P
M
S
N
F
R
F
---
G
-
E
N
H
A
I
M
G
V
A
F
T
-
W
V
M
A
L
A
C
A
A
P
P
L
-
V
-
G
W
S
R
Y
I
-
P
E
G
M
Q
C
S
C
G
I
D
Y
---
Y
T
P
H
E
E
T
N
N
E
S
F
V
I
Y
M
F
V
V
H
--
F
I
I
P
L
I
V
I
F
F
C
Y
-
G
Q
L
V
F
T
V
---------------------------------------------
K
E
-
A
A
A
---------------------------------------
S
----------------------------------------------
A
T
------------------------------------------------------------------------------------------------------------------------------------------------------------
T
-------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
--
K
--
A
E
K
E
V
T
R
M
V
I
I
M
V
I
A
F
L
I
C
W
L
P
Y
A
G
---
V
A
F
Y
I
F
T
H
Q
G
-
S
--
D
---
F
---
G
-----------------------
P
I
F
M
T
I
P
A
F
F
A
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
--------
N
C
M
V
T
T
L
C
---
C
-
G
K
N
P
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
81.89
25%
-157
- C3 -
4XNV
15
P2RY1_HUMAN (first)
A:
[53-382]
-------------------------------------------------
L
P
A
V
Y
I
L
V
F
I
I
G
F
L
G
N
S
V
A
I
W
-
M
F
V
F
H
M
K
P
--
W
S
G
I
S
V
Y
M
F
N
L
A
L
A
D
F
L
Y
V
L
-
T
--
L
P
A
L
I
F
Y
Y
F
N
K
T
D
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
----
Y
P
-
K
S
L
G
----
R
L
K
K
K
N
A
I
C
I
S
V
L
V
W
L
I
V
V
V
A
I
S
P
I
L
F
Y
-
S
G
T
G
V
R
-
K
N
K
T
-
I
T
C
Y
------
D
T
T
S
D
E
Y
L
R
S
Y
F
I
Y
S
M
C
T
T
V
A
M
F
C
V
P
L
V
L
I
L
G
C
Y
-
G
L
I
V
R
A
L
---------------------------------------------
I
Y
-
K
M
K
---------------------------------------
K
Y
T
C
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIVCPLCGVGKDQ
F
----
E
E
------------------------------------------------------------------------------------------------------------------------------------------------------------
V
-------------------------------------------------------------------------------------------------------------------------------------------------------------
E
E
P
L
--
R
R
K
S
I
Y
L
V
I
I
V
L
T
V
-
F
A
V
S
Y
I
P
F
H
V
---
M
K
T
M
N
L
R
A
R
L
D
F
--
Q
---
T
---
P
AM
C
A
F
--------------
N
D
R
V
Y
A
T
Y
Q
V
T
R
G
L
A
S
L
N
S
C
V
N
P
I
L
Y
F
L
A
G
D
T
F
R
--------
R
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
80.89
29%
-164
- C3 -
4XT1
15
US28_HCMVA
A:
[26-318]
---------------
E
D
A
T
P
C
--------
V
F
T
D
V
L
N
------
Q
-
S
K
P
-
V
T
L
F
L
Y
G
V
V
F
L
F
G
S
I
G
N
F
L
V
I
F
T
I
-
T
W
R
R
R
I
--
Q
C
S
G
D
V
Y
F
I
N
L
A
A
A
D
L
L
F
V
C
-
T
--
L
P
L
W
M
Q
Y
L
L
-
D
------
S
V
P
C
T
L
L
T
A
C
F
Y
V
A
M
F
A
S
L
C
F
I
T
E
I
A
L
D
R
Y
Y
A
I
V
YM
R
Y
R
P
V
K
Q
A
-----------
C
L
F
S
I
F
W
-
W
I
F
A
V
I
I
A
I
P
H
F
M
V
-
V
T
K
K
D
-------
N
Q
C
M
T
D
Y
D
Y
L
-----
E
V
S
Y
P
I
I
L
N
V
E
L
M
L
G
A
-
F
V
I
P
L
S
V
I
S
Y
C
Y
-
Y
R
I
S
R
I
V
---------------------------------------------
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
-------------------------------------------------------------------------------------------------------------------------------------------------------------
S
Q
S
R
--
H
K
G
R
I
V
R
V
L
I
A
V
V
L
V
F
I
I
F
W
L
P
Y
H
L
T
L
F
V
D
T
L
----
K
L
-
L
--
K
---
W
I
S
S
S
--
C
E
F
--------------
E
R
S
L
K
R
A
L
I
L
T
E
S
L
A
F
C
H
C
C
L
N
P
L
L
Y
V
F
V
G
T
K
F
R
--------
Q
E
L
H
C
L
L
A
---
E
-
F
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
45
HHSearch
78.98
24%
-138
- C3 -
2Z73
5
OPSD_TODPA
A:
[33-333]
--------------------------------------------
V
Y
Y
-
S
L
G
I
F
I
G
I
C
G
I
I
G
C
G
G
N
G
I
V
I
Y
L
F
T
K
T
K
S
-
L
--
Q
T
P
A
N
M
F
I
I
N
L
A
F
S
D
F
T
F
S
L
-
V
N
G
F
P
L
M
T
I
S
C
-
F
L
K
K
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
----
R
P
M
A
A
S
K
K
---
M
S
H
R
R
A
F
I
M
I
I
F
V
-
W
L
W
S
V
L
W
A
I
G
P
I
F
G
-
W
G
A
Y
T
L
--
E
G
V
L
C
N
C
S
F
D
Y
I
S
R
------
D
S
T
T
R
S
N
I
L
C
M
F
I
L
G
-
F
F
G
P
I
L
I
I
F
F
C
Y
-
F
N
I
V
M
S
V
---------------------------------------------
S
N
-
H
E
K
---------------------------------------
E
----------------------------------------------
M
A
A
M
A
K
RLNAKE
L
R
K
A
----------------------------------------------------------------------------------------------------------------------------------------------
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------
A
G
A
N
--
A
E
M
R
L
A
K
I
S
I
V
I
V
S
Q
F
L
L
S
W
S
P
Y
A
V
---
V
A
L
L
A
Q
F
G
P
L
-
E
--
W
-----------------------------
V
T
P
Y
A
A
Q
L
P
V
M
F
A
K
A
S
A
I
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
--------
E
A
I
S
Q
T
F
P
---
W
-
V
L
T
C
C
Q
F
D
D
K
E
T
E
D
D
K
D
A
E
T
E
I
P
A
G
E
-----------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
78.75
29%
-147
- C3 -
4EA3
3
C562_ECOLX (first)
A:
[128-405]
-------------------------------------------------
I
V
G
L
Y
L
A
V
C
V
G
G
L
L
G
N
C
L
V
M
Y
V
I
L
R
H
T
K
M
K
--
T
-
A
T
N
I
Y
I
F
N
L
A
L
A
D
T
L
V
L
L
-
T
--
L
P
F
Q
G
T
D
I
L
L
G
F
-
W
P
F
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
M
F
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
----
H
P
----------
T
S
S
K
A
Q
A
V
N
V
A
I
-
W
A
L
A
S
V
V
G
V
P
V
A
I
M
--
G
S
A
Q
V
-
E
D
-
E
E
I
E
C
-----
L
V
E
I
P
T
P
Q
D
Y
W
G
P
V
F
A
I
C
I
F
L
F
S
-
F
I
V
P
V
L
V
I
S
V
C
Y
-
S
L
M
I
R
R
L
---------------------------------------------
R
G
V
R
L
L
---------------------------------------
S
----------------------------------------------
G
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------
E
K
D
R
--
N
L
R
R
I
T
R
L
V
L
V
V
V
A
V
F
V
G
C
W
T
P
------
V
Q
V
F
V
L
A
Q
G
L
-
G
--
V
---
Q
---
P
--
S
S
E
--------------
T
--
A
V
A
I
L
R
F
C
T
A
L
G
Y
V
N
S
C
L
N
P
I
L
Y
A
F
L
D
E
N
F
K
---------
A
C
F
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
Fugue
78.43
22%
-105
- C3 -
1U19
15
OPSD_BOVIN
A:
[4-349]
M
--
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
V
--------
V
R
S
P
-
F
E
APQYYL
A
-
E
P
W
-
Q
F
S
M
L
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
KL
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
-
G
--
G
F
T
T
T
L
Y
T
S
L
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
----
K
P
M
S
N
F
R
F
---
G
-
E
N
H
A
I
M
G
V
A
F
T
-
W
V
M
A
L
A
C
A
A
P
P
L
V
G
-
W
S
R
Y
-
I
-
P
E
G
M
Q
C
S
C
G
I
D
Y
---
Y
T
P
H
E
E
T
N
N
E
S
F
V
I
Y
M
F
V
V
H
--
F
I
I
P
L
I
V
I
F
F
C
Y
-
G
Q
L
V
F
T
V
KE-------------------------------------------
A
A
-
A
Q
Q
---------------------------------------
Q
----------------------------------------------
E
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------
T
T
Q
K
--
A
E
K
E
V
T
R
M
V
I
I
M
V
I
A
F
L
I
C
W
L
P
Y
A
G
---
V
A
F
Y
I
F
T
-------
H
---
Q
---
G
--
S
D
F
--------------
G
P
I
F
M
T
I
P
A
F
F
A
K
T
S
A
V
---
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
--------
N
C
M
V
T
T
L
C
---
C
-
G
K
N
P
------
L
G
D
D
E
A
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
78.07
29%
-149
- C3 -
5C1M
7
?
A:
[20-294]
-------------------------------------------------
I
M
A
L
Y
S
I
V
C
V
V
G
L
F
G
N
F
L
V
M
Y
V
I
V
R
Y
T
K
M
K
--
T
-
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
--
L
P
-
F
Q
S
V
N
Y
L
M
G
T
W
P
F
G
N
I
L
C
K
I
V
I
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
C
T
M
S
V
D
R
Y
I
A
V
C
----
H
P
V
K
A
L
D
F
---
R
T
P
R
N
A
K
I
V
N
V
C
N
-
W
I
L
S
S
A
I
G
L
P
V
M
F
M
-
A
T
T
K
Y
R
-
Q
G
S
--
I
D
C
T
L
T
F
S
-----
H
P
T
W
Y
W
E
N
L
L
K
I
C
V
F
I
F
A
-
F
I
M
P
V
L
I
I
T
V
C
Y
G
L
M
I
L
R
L
K
---------------------------------------------
S
V
-
R
M
L
---------------------------------------
S
----------------------------------------------
G
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------
E
K
D
R
--
N
L
R
R
I
T
R
M
V
L
V
V
V
A
V
F
I
V
C
W
T
P
I
H
I
---
Y
V
I
I
K
A
L
I
T
I
-
P
--
E
---------------------------
T
T
F
Q
T
V
S
W
H
F
C
I
A
L
G
Y
T
N
S
C
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
--------
R
C
F
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------