@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 : O51J1_HUMAN: (2016-01-12 )
MKISNNSLGFLPTTFILVGIPGLESEHLWISVPFSLIYIIIFLGNGIILHVIRTDIALHQPMYLFLAMLALAEVRVSASTLPTVLGIFLFGNTEISLEACLFPDVLHPFFIHDGASCAAGHVFGPLYSHLQPTELHSYPDTAQGLWHRSYYRTEKHYAHGSVAHSLMASALLWPQCPLTFLLSAPQSYLSCGNISVNNIYGIFIVTSTFGLDSLLIVISYGLILHTVLGIATGEGRKKALNTCGSHVCAVLAYYVPMIGLSIVHRLGHRVSPLLQAMMANAYLFFPPVVNPIVYSIKTKEIHGAIVRMLLEKRRRV
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-------......--------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-----MKISNNSLGFL-------------
P
--------
T
T
F
I
L
V
GIPG--------LESE
H
--
L
W
--------------------
I
SV----
P
F
S
L
--
I
Y
I
I
I
--
F
LGN
G
I
I
L
H
V
I
RT
D
I
ALHQ
P
M
Y
-----
L
F
L
A
M
L
A
L
A
E
V
RVS-
A
S
T
-
L
P
T
V
L
G
I
F
L
-FGN
T
-
E
I
---
S
L
E
A
CL
F
P
D
------
V
L
H
P
F
F
I--HDGASCAA
G
H
V
F
G
P
L
Y
S
HL----
Q
P
T
ELH---------SYP
D
T
A
Q
G
L
W
H
R
-----
S
Y
YRT
E
K
HYA
H
G
S
V
A
H
S
L
M
-
A
S
A
LLW-PQC
P
L
T
F
L
L
SA
P
----
Q
S
Y
-
L
SCG-------N
I
--
S
--
V
N
N
----
I
Y
G
I
F
I
------
V
T
STF-------------G
L
D
S
L
L
I
---
V
I
S
Y
G
L
I
L
H
--
T
V
--------
L
G
IA----T-------------------------------------------------------------------------------------------------------------------------------------------------------------------GE
G
R
-
K
K
A
-------
L
N
T
C
G
S
H
V
C
A
V
L
A
Y
Y
V
P
---
M
I
G
L
S
I
V
H
R
LG
H
R
----------
V
----------
S
----
P
L
L
Q
A
--------
M
MAN
A
Y
L
-FFPP-VV--
N
P
I
V
Y
--------
S
I
------KT
K
E
I
H
G
---
A
I
V
R
M
L
L
---------
E
K
RRRV--------------------
33
Fugue
84.52
20%
-147
- C1 -
4ZOX
-
SQT1_YEAST
A:
[3-381]
-------
M
S
N
N
S
L
T
Y
F
D
KHTDSVF
A
I
G
H
H
P
--------
N
L
P
L
V
C
T
G
G
G
--------
D
N
L
A
H
--
L
W
T
SHSQPPKFA
G
T
L
T
GYGESV
I
S
C
----
S
F
T
S
EG
G
F
L
V
T
--
A
D
M
S
G
K
V
L
V
H
M
G
Q
K
---
G
G
A
Q
W
-----
K
L
A
S
Q
M
Q
E
V
E
E
I
V
W
-
L
K
T
-
H
P
T
I
A
R
T
F
A
-
F
G
A
T
-
D
G
---
S
V
W
C
Y
Q
I
N
E
QDG
S
L
E
Q
L
M
S
G
F
V
--
H
Q
Q
D
-
C
S
M
G
E
F
I
N
T
D
K
G
E
N
----
T
L
E
L
V
T
---------
C
S
L
D
S
T
I
V
A
W
N
--------------
C
F
T
G
Q
Q
L
F
K
I
T
-
Q
A
E
I
K
G
-
L
E
A
P
W
I
S
L
S
L
A
P
----
E
T
L
-
T
K
G
N
-------
S
---------------
G
V
V
A
------
C
G
S
N
N
-------------
G
L
L
A
V
I
N
---
C
N
N
G
G
A
I
L
H
L
S
T
V
--------
I
E
L
K
----
P
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
Q
D
E
-
L
D
A
SIE
S
I
S
W
S
S
K
F
S
L
M
A
I
G
L
V
C
G
E
I
L
---
L
Y
D
T
S
A
W
R
V
R
H
K
F
----------
V
L
---------
E
----
D
S
V
T
K
--------
L
M
F
D
N
D
D
-
L
F
A
S
-
C
I
--
N
G
K
V
Y
--------
Q
F
NARTGQ
E
K
F
V
C
V
G
HNM
G
V
L
D
F
I
L
L
H
PVANTG
T
E
Q
K
R
K
V
I
T
A
G
DEG
V
S
L
V
F
E
V
P
N----
12
HHSearch
81.29
16%
-130
- C2 -
2RH1
16
ADRB2_HUMAN (first)
A:
[39-477]
-----------------------------------------------------------
W
V
--
V
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
SLLT
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
TGTWDAYKF--
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
-------------------------
9
HHSearch
80.22
17%
-127
- C2 -
3RZE
5
ENLYS_BPT4 (first)
A:
[10-443]
----------------------------------------------------------------
P
--------------------
L
V
V
----
V
L
S
T
--
I
C
L
V
T
--
V
G
L
N
L
L
V
L
Y
A
V
R
S
E
R
K
L
H
T
V
G
N
-----
L
Y
I
V
S
L
S
V
A
D
L
I
V
G
-
A
V
V
-
M
P
M
N
I
L
Y
L
L
-
M
S
K
W
-
S
L
---
G
R
P
L
C
L
F
W
L
----------
S
M
D
--
Y
V
A
S
T
A
S
I
F
S
V
F
I
L
C
I
D
R
Y
R
S
V
Q
Q
P
L
R
Y
L
KYRT
K
T
---
R
A
S
A
T
I
L
G
A
W
F
L
-----
S
F
L
W
V
-------
I
P
-
I
L
G
W
-
N
H
-------
R
R
E
D
K
C
E
T
D
F
----
Y
D
---------------------
V
T
----
W
F
K
V
M
T
------
A
I
I
N
F
-------------
Y
L
P
T
L
L
M
---
L
W
F
Y
A
K
I
Y
K
--
A
V
--------
R
Q
H
C
----
N
I
F
E
M
L
R
I
D
E
G
L
R
L
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
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
TGTWDAYLH--
M
N
R
E
-
R
K
A
-------
A
K
Q
L
G
F
I
M
A
A
F
I
L
C
W
I
P
---
Y
F
I
F
F
M
V
I
A
F
C
K
N
----------
C
----------
C
----
N
E
H
L
H
--------
M
F
T
I
W
L
G
-
Y
I
N
S
-
T
L
--
N
P
L
I
Y
--------
P
L
------
C
N
E
N
F
K
K
---
T
F
K
R
I
L
H
---------
I
-------------------------
26
Fugue
79.49
20%
-95
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
-----
M
N
G
T
E
G
P
N
F
Y
V
-------------
P
FSNKTGVV
R
S
P
F
E
A
P
Q
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
CKPM
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
DYYTPH
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
KEAAAQQQ
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
GDDEA
S
T
T
V
S
K
TETSQVAPA
27
Fugue
78.86
17%
-119
- C2 -
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
R
S
PFEAPQYY
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
DYYTPH
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
ASAT
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
TTVSKTETS
Q
V
A
P
A------
15
HHSearch
78.23
19%
-123
- C2 -
3V2Y
1
ENLYS_BPT4
A:
[60-495]
---------------------------------------------------------
E
N
S
I
--
K
L
--------------------
T
S
V
----
V
F
I
L
--
I
C
C
F
I
--
I
L
E
N
I
F
V
L
L
T
I
W
K
T
K
K
F
H
R
P
M
Y
-----
Y
F
I
G
N
L
A
L
S
D
L
L
A
G
-
V
A
Y
-
T
A
N
L
L
L
S
G
A
--
T
T
Y
-
K
L
---
T
P
A
Q
W
F
L
R
E
----------
G
S
M
--
F
V
A
L
S
A
S
V
F
S
L
L
A
I
A
I
E
R
Y
I
T
M
L
K
-----N
N
F
------
R
L
F
L
L
I
S
A
C
W
V
I
-----
S
L
I
L
G
-------
G
L
-
P
I
M
G
-
W
N
C
I
-----
S
A
L
S
S
C
S
T
V
L
----
P
L
---------------------
Y
H
----
K
H
Y
I
L
F
------
C
T
T
V
F
-------------
T
L
L
L
L
S
I
---
V
I
L
Y
C
R
I
Y
S
--
L
V
--------
R
T
R
N
----
I
F
E
M
L
R
IDEGLRL
K
I
Y
K
D
TE
G
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
TGTWDAYA
S
R
--
S
S
E
N
-
V
A
L
-------
L
K
T
V
I
I
V
L
S
V
F
I
A
C
W
A
P
---
L
F
I
L
L
L
L
D
V
G
C
K
V
----------
K
TC--------
D
----
I
L
F
R
A
--------
E
Y
F
L
V
L
A
-
V
L
N
S
-
G
T
--
N
P
I
I
Y
--------
T
L
------
T
N
K
E
M
R
R
---
A
F
I
R
I
M
G
---------
R
P
L
-----------------------
13
HHSearch
76.37
14%
-133
- C2 -
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
SS
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
GTWDAYGV
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
-------------------------
19
HHSearch
74.06
15%
-126
- C2 -
2Z73
5
OPSD_TODPA
A:
[32-333]
----------------------------------------------------------
A
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
IG
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
--------------------
17
HHSearch
73.94
17%
-104
- C2 -
1U19
14
OPSD_BOVIN
A:
[38-327]
----------------------------------------------------------
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
QQQESA
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
--------------------
14
HHSearch
72.99
13%
-135
- C2 -
2KS9
1
NK1R_HUMAN
A:
[32-324]
------------------------------------------------------------
I
--
V
L
--------------------
W
A
A
----
A
Y
T
V
--
I
V
V
T
S
--
V
V
G
N
V
V
V
M
W
I
I
L
A
H
K
R
M
R
T
V
T
N
-----
Y
F
L
V
N
L
A
F
A
E
A
S
M
A
-
A
F
N
-
T
V
V
N
F
T
Y
A
V
-
H
N
E
W
-
Y
Y
---
G
L
F
Y
C
K
F
H
N
----------
F
F
P
--
I
A
A
V
F
A
S
I
Y
S
M
T
A
V
A
F
D
R
Y
M
A
I
I
H
P
L
Q
P
R
LS
A
T
-----
A
T
K
V
V
I
C
V
I
W
V
L
-----
A
L
L
L
A
-------
F
P
-
Q
G
Y
Y
-
S
T
T
E
---
T
M
P
S
R
V
V
C
M
I
E
W
----
P
E
H
-
P
----------
N
K
--
I
--
Y
E
K
----
V
Y
H
I
C
V
------
T
V
L
I
Y
-------------
F
L
P
L
L
V
I
---
G
Y
A
Y
T
V
V
G
I
--
T
L
--------
W
A
S
E
----
I
PGDSSDRYH
E
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------
V
S
A
K
-
R
K
V
-------
V
K
M
M
I
V
V
V
C
T
F
A
I
C
W
L
P
---
F
H
I
F
F
L
L
P
Y
I
N
P
D
----------
L
----------
Y
LKKF
I
Q
Q
V
Y
--------
L
A
I
M
W
L
A
-
M
S
S
T
-
M
Y
--
N
P
I
I
Y
--------
C
C
------
L
N
D
R
F
R
L
---
G
F
K
H
A
F
R
---------
C
C
P
F
I
S
--------------------
34
Fugue
72.09
16%
-121
* C3 *
4OCV
6
?
A:
[24-378]
--------
T
N
E
A
L
F
D
V
-------------
A
--------
S
H
F
A
L
E
G
--
T
--------
V
D
S
I
E
--
P
Y
--------------------
G
D
G
----
H
I
N
T
--
T
Y
L
V
T
--
T
D
G
P
R
Y
I
L
Q
R
M
N
T
G
I
F
P
D
T
V
N
L
-----
M
R
N
V
E
L
V
T
S
T
L
K
A
Q
G
K
E
T
-
L
D
I
V
R
T
T
S
G
-
D
T
W
A
-
E
I
DG
G
A
W
R
V
Y
K
F
I
E
------
H
T
M
S
Y
N
L
VP
N
P
D
V
F
R
E
A
G
R
A
F
G
D
F
Q
N
F
L
----
S
G
F
D
A
N
---------
Q
L
T
E
T
I
A
H
-
F
H
D
-----
T
P
H
R
F
E
D
-
F
K
K
A
L
A
A
D
E
L
G
-
R
A
A
G
C
G
-
P
E
I
E
F
Y
L
S
H
A
D
Q
YA
V
V
M
D
G
-
L
R
D
G
-------
S
I
PL
R
--
V
T
H
NDTK
L
N
N
I
L
M
DATTGK
A
R
A
I
I
-------------
D
L
D
T
I
M
P
GS
M
L
F
D
F
G
D
S
I
R
--
F
G
--------
A
S
T
A
----
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
D
E
R
D
L
D
K
-------
V
H
F
S
T
E
L
F
R
A
Y
T
E
G
F
V
G
---
E
L
R
D
S
I
T
A
R
E
A
E
L
----------
L
----------
P
----
F
S
G
N
L
--------
L
T
M
E
C
G
M
R
F
L
A
D
-
Y
L
--
E
G
D
V
Y
FATKYPE
H
N
L
------
V
R
S
R
T
Q
I
---
K
L
V
R
E
M
E
---------
Q
R
A
D
E
T
R
A
I
V
A
D
V
M
E
T
T---------
18
HHSearch
70.80
15%
-131
- C2 -
3EML
13
ENLYS_BPT4
A:
[20-470]
-----------------------------------------------------------
G
S
--
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
VV
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
CS--------
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
--------------------
10
HHSearch
70.45
15%
-126
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-496]
----------------------------------------------------------
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
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
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
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
--------------------
8
HHSearch
68.72
12%
-123
- C2 -
3UON
4
ACM2_HUMAN (first)
A:
[23-457]
------------------------------------------------------------
V
--
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
VKRT
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
TGTWDAYPP--
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
-----------------------------------
29
Fugue
68.39
18%
-115
- C2 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
SFKCA
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
FHMK
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
KTDW
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
T
V
------
C
G
Y
I
Y
N
PEDGDPDNGVNP
G
T
D
F
K
D
I
---
V
C
P
L
C
G
V
G
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
Q
----------
T
----------
P
----
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
---------------------
20
HHSearch
67.21
14%
-112
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[36-323]
---------------------------------------------------------
T
L
N
K
--
Y
V
--------------------
V
I
I
----
A
Y
A
L
--
V
F
L
L
S
--
L
L
G
N
S
L
V
M
L
V
I
L
Y
S
R
V
G
R
S
V
T
D
-----
V
Y
L
L
N
L
A
L
A
D
L
L
F
A
-
L
T
--
L
P
I
W
A
A
S
K
--
V
N
G
W
-
I
F
---
G
T
F
L
C
K
V
V
S
----------
L
L
K
--
E
V
N
F
Y
S
G
I
L
L
L
A
C
I
S
V
D
R
Y
L
A
IV
H
A
T
R
T
L
TQ
K
R
H
----
L
V
K
F
V
C
L
G
C
W
G
L
-----
S
M
N
L
S
-------
L
P
-
F
F
L
F
-
R
Q
A
Y
H
--
P
N
N
S
S
P
V
C
Y
E
V
L
----
G
N
D
------------
T
A
--
K
--
W
R
M
----
V
L
R
I
L
P
------
H
T
F
G
F
-------------
I
V
P
L
F
V
M
---
L
F
C
Y
G
F
T
L
R
--
T
L
--------
F
K
A
H
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
G
Q
K
-
H
R
A
-------
M
R
V
I
F
A
V
V
L
I
F
L
L
C
W
L
P
---
Y
N
L
V
L
L
A
D
T
L
M
R
T
----------
Q
VIQE
S
C
E
R
R
N
N
----
I
G
R
A
L
--------
D
A
T
E
I
L
G
-
F
L
H
S
-
C
L
--
N
P
I
I
Y
--------
A
F
------
I
G
Q
N
F
R
H
---
G
F
L
K
I
L
A
---------
M
H
G
-----------------------
3
PsiBlast_PDB
38.56
20%
-138
- C2 -
3VW7
7
ENLYS_BPT4 (first)
A:
[9-95]
----------
D
A
S
G
Y
L
-------------
T
--------
S
S
W
L
T
L
F
V
P
S
--------
V
Y
T
G
V
--
F
V
--------------------
V
S
L
----
P
L
N
I
--
M
A
I
V
V
--
F
I
----------
L
K
M
K
V
K
K
P
A
V
-----
V
Y
M
L
H
L
A
T
A
D
V
-
L
F
-
V
S
V
-
L
P
F
K
I
S
Y
Y
F
-
S
G
S
D
W
Q
F
---
G
S
E
L
C
R
F
V
T
------
A
A
F
Y
C
N
M
--
Y
A
S
I
L
L
M
T
V
I
S
I
D
R
F
L
A
V
V
----
Y
P
M
R
T
L
---------
G
R
A
S
F
T
C
L
A
I
W
A
-----
L
A
I
A
G
V
V
P
L
L
L
K
E
Q
T
I
Q
V
P
-
G
L
G
I
T
T
-
C
H
D
V
L
S
E
T
L
L
E
G
----
Y
Y
A
-
Y
Y
F
S
-------
A
F
--
S
--
A
V
F
----
F
F
V
P
L
I
------
I
S
T
V
C
-------------
Y
V
S
I
I
R
C
---
L
S
S
S
A
N
I
F
E
--
M
L
--------
R
I
D
E
----
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
R
L
K
-
I
Y
K
-------
N
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
----------
G
----
R
N
T
N
G
--------
V
I
T
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
--------------------
35
Fugue
38.29
11%
-28
- C3 -
2JMS
-
?
A:
[1-63]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
D
P
E
E
H
F
----
D
P
N
T
N
C
---------
D
Y
T
N
-
S
Q
D
A
W
D
Y
-----
C
T
N
Y
I
V
N
S
S
C
G
E
I
C
C
N
D
C
F
-
D
E
T
G
T
G
-
A
C
R
A
Q
A
F
G
N
S
C
L
----
N
W
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
36.57
25%
-150
- C2 -
3RZE
-
ENLYS_BPT4 (first)
A:
[13-83]
---------------------------------------------------------------------------------------
V
----
V
L
S
T
--
I
C
L
V
T
--
V
G
L
N
L
L
V
L
Y
A
V
R
S
E
R
K
L
H
T
V
G
N
-----
L
Y
I
V
S
L
S
V
A
D
L
I
V
G
-
A
V
V
-
M
P
M
N
I
L
Y
L
L
-
M
S
K
W
-
S
L
---
G
R
P
L
C
L
F
W
L
------
S
M
D
Y
V
A
S
--
T
A
S
I
F
S
V
F
I
L
C
I
D
R
Y
R
S
V
Q
----
Q
P
L
R
Y
L
---------
K
Y
R
T
K
T
R
A
S
A
T
I
-----
L
G
A
W
F
L
S
F
L
W
V
I
P
I
L
G
W
N
H
-
R
R
E
D
K
C
-
E
T
D
F
Y
D
V
T
W
F
K
V
----
M
T
A
-
I
I
N
F
-------
Y
L
--
P
--
T
L
L
----
M
L
W
F
Y
A
------
K
I
Y
K
A
-------------
V
R
Q
H
C
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
G
R
N
T
N
G
----------
V
----------
I
----
T
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
--------------------
1
PsiBlast_PDB
36.28
40%
-190
- C2 -
3V2W
-
ENLYS_BPT4 (first)
A:
[67-110]
--------------------------------------------------------------------------------------
S
V
----
V
F
I
L
--
I
C
C
F
I
--
I
L
E
N
I
F
V
L
L
T
I
W
K
T
K
K
F
H
R
P
M
Y
-----
Y
F
I
G
N
L
A
L
S
D
L
L
A
G
-
V
A
Y
-
T
A
N
L
L
L
S
G
A
-
T
T
Y
K
-
L
T
---
P
A
Q
W
F
L
R
E
G
------
S
M
F
V
A
L
S
--
A
S
V
F
S
L
L
A
I
A
I
E
R
Y
I
T
M
L
K
----
N
N
F
R
L
F
---------
L
L
I
S
A
C
W
V
I
S
L
I
-----
L
G
G
L
P
I
M
G
W
N
C
I
S
A
L
S
S
C
S
-
T
V
L
P
L
Y
-
H
K
H
Y
I
L
F
C
T
T
V
F
----
T
L
L
-
L
L
S
I
-------
V
I
--
L
--
Y
C
R
----
I
Y
S
L
V
R
------
T
R
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
G
---
R
N
T
N
G
V
I
T
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
--------------------