@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 : XCR1_HUMAN: (2016-01-15 )
MESSGNPESTTFFYYDLQSQPCENQAWVFATLATTVLYCLVFLLSLVGNSLVLWVLVKYESLESLTNIFILNLCLSDLVFACLLPVWISPYHWGWVLGDFLCKLLNMIFSISLYSSIFFLTIMTIHRYLSVVSPLSTLRVPTLRCRVLVTMAVWVASILSSILDTIFHKVLSSGCDYSELTWYLTSVYQHNLFFLLSLGIILFCYVEILRTLFRSRSKRRHRTVKLIFAIVVAYFLSWGPYNFTLFLQTLFRTQIIRSCEAKQQLEYALLICRNLAFSHCCFNPVLYVFVGVKFRTHLKHVLRQFWFCRLQAPSPASIPHSPGAFAYEGASFY
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.-----------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MESSGNPE
S
T
T
F
F
Y
YD--------LQSQPCE-----NQ
A
W
V
-
F
A
T
L
A
T
T
V
L
Y
C
L
V
F
L
L
S
L
VGN
S
L
V
L
W
V
L
V
K
Y
E
S
L
E
S
L
T
N
I
F
I
L
N
L
C
L
S
D
L
V
F
A
C
--
L
L
--
P
V
WISP
Y
--
H
W
G
--
W
V
L
G
D
F
L
C
K
L
L
N
M
I
F
S
I
S
L
Y
S
S
I
F
F
L
T
I
M
T
I
H
R
Y
L
S
V
VS
P
L
S
TLRV---P
T
L
R
C
R
V
L
V
T
M
A
-
V
W
--
V
A
S
I
L
S
S
----
I
----
L
---
D
---
T
I
F
-
H
K
V
L
--S------S----G----C-----
D
--------
Y
----
S
--
E
L
-----
T
--
W
--
Y
---
L
T
-
S
V
YQ--
H
N
--------
L
-----
F
---
F
L
L
S
L
G
I
I
L
F
C
Y
------
V
E
I
L
R
T
L
F
------------------------------------------------
R
----------------------------------------------------
S
R
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------K-----------------------------------------------------RR--
H
--
R
T
V
K
L
I
F
A
---
I
V
V
A
Y
F
LSWGP
Y
N
F
--
T
L
F
L
Q
T
L
F
R
T
Q
-
I
-
I
R
-
S
C
E
A
K
Q
Q
L
E
Y
A
L
L
-
I
C
R
NL
A
F
S
H
C
C
F
N
P
V
L
Y
V
F
VG
V
K
F
R
T
-----
H
L
-----
K
H
V
L
R
Q
F
W
F
C
R
LQAPSPASIPHSPGAFAYEGASFY-----------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
93.37
30%
-176
- C3 -
4MBS
8
CCR5_HUMAN (first)
A:
[21-366]
----------------------------
P
C
Q
KI---
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
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQ
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----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
89.03
29%
-173
- 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
TD
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
YDTTS
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
88.59
30%
-163
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-498]
----------------------------
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
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
87.75
30%
-174
- 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
----
Y
M
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
DY-
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
87.25
25%
-177
- C3 -
4XNV
15
P2RY1_HUMAN
A:
[55-382]
-------------------------------------------------
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
EE
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
86.64
25%
-176
- C3 -
4XNW
2
RUBR_CLOPA
A:
[55-382]
-------------------------------------------------
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
EE
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
84.55
30%
-180
- C3 -
4XT1
15
US28_HCMVA
A:
[23-317]
-------------
D
Y
D
--------
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
----
Y
M
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
DY-
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
84.37
23%
-158
* 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
GD
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
GTWDAYGVP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
83.25
27%
-186
- C3 -
4RWD
7
C562_ECOLX (first)
A:
[122-406]
--------------------------------------------
A
I
A
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
FA
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
83.09
27%
-185
- C3 -
4N6H
23
C562_ECOLX (first)
A:
[125-411]
--------------------------------------------
A
I
A
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
GAVVC
M
L
Q
F
----
P
--
S
P
-----
S
--
W
--
Y
---
W
D
-
T
V
T
K
--
I
C
--------
V
-----
F
L
FA
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
82.62
27%
-187
- C3 -
4RWA
2
C562_ECOLX (first)
A:
[122-406]
--------------------------------------------
A
I
A
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
LL---------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
82.53
23%
-160
- C3 -
2Z73
5
OPSD_TODPA
A:
[27-336]
------------------------------------
D
Q
V
P
D
-
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
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
LC
N
-
C
-----
S
--------
F
----
D
--
Y
I
SR---
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
--------------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
82.16
21%
-160
- C3 -
2RH1
16
ADRB2_HUMAN (first)
A:
[36-477]
---------------------------------------
D
E
-
V
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
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
TH
Q
------
E
A
I
--
N
----
C
-----
Y
--------
A
EETC
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
TGTWDAYKFC--
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
81.74
35%
-149
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[29-313]
----------------------------
P
C
M
-----
L
E
T
E
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
I
V
H
A
T
R
T
L
T
Q
---
K
R
H
L
V
K
-
F
V
C
L
G
-
C
W
--
G
L
S
M
N
L
S
LPFF
L
----
F
---
R
---
Q
A
Y
-
H
P
N
N
--
S
------
S
----
P
----
V
-----
C
--------
Y
----
E
--
V
L
GNDTA
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
-
V
-
I
Q
E
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
80.94
35%
-150
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[33-322]
-------------------------------------
E
T
E
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
I
V
H
A
T
R
T
L
T
----
Q
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
NN--
S
SPV-
C
-----
Y
--------
E
----
V
LG
N
D
-----
T
AK
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
-
V
I
Q
E
-
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
80.64
21%
-161
- C3 -
3UON
4
ACM2_HUMAN (first)
A:
[22-457]
-------------------------------------------
E
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
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
GVRTVE
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
TGTWDAYPPP--
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
80.29
20%
-133
- C3 -
1U19
15
OPSD_BOVIN
A:
[4-349]
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
TGVVRSPF
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
GG
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
MQC
S
C
G
I
---
D
--------
Y
YTPH
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
AAAQQQESA-------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
79.51
22%
-164
- C3 -
3RZE
5
ENLYS_BPT4 (first)
A:
[9-443]
---------------------------------------------
M
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
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
------------RRED
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
TGTWDAYLHM--
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
78.10
28%
-172
- C3 -
5C1M
7
?
A:
[23-293]
--------------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
77.54
23%
-149
- 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
PN
D
L
W
-
V
V
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