@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 : GP157_HUMAN: (2016-01-10 )
MQPSPPPTELVPSERAVVLLSCALSALGSGLLVATHALWPDLRSRARRLLLFLSLADLLSAASYFYGVLQNFAGPSWDCVLQGALSTFANTSSFFWTVAIALYLYLSIVRAARGPRTDRLLWAFHVVSWGVPLVITVAAVALKKIGYDASDVSVGWCWIDLEAKDHVLWMLLTGKLWEMLAYVLLPLLYLLVRKHINRAHTALSEYRPILSQEHRLLRHSSMADKKLVLIPLIFIGLRVWSTVRFVLTLCGSPAVQTPVLVVLHGIGNTFQGGANCIMFVLCTRAVRTRLFSLCCCCCSSQPPTKSPAGTPKAPAPSKPGESQESQGTPGELPST
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)
-----------------------MQPSPPPTELV------P-------------------------S----ERA
V
V
L
---
L
S
C
A
L
S
A
L-GS
G
L
L
V
A
T
H
AL-
W
P
----
D
L
R
S
R
A
R
R
L
L
L
-----
F
L
S
-----
L
A
D
L
L
S
A
--
A
-----
S
-
Y
--
F
Y
G
V
--
L
-----
Q
-----
N
--FAGP
S
W
------
D
C
V
L
-
Q
------
G
A
L
S
T
FAN-------TS
S
F
F
W
T
V
A
-
I
A
L
----
Y
L
Y
L
S
I
---
V
R
AARGP--R-----T
D
R
L
L
W
A
F
H
-------
V
---
V
SW----------------GV---
P
L
V
I
T
V
A
A
V
A
L
K
K
IG----YDAS-D
V
S
V
G
W
--------------
C
W
I
DL-------EA-KD----
H
---
V
----
L
-
W
------
M
L
L
T
G
-
K
L
W
E
-------
M
L
A
Y
V
L
L
P
L
L
------
Y
L
L
V
R
K
H
I
N
R
A
H
T
A
L
S
E
Y
R
P
------------------------------
I
--------------------------------------------------------------------------------------------------------------------------------------------------
L
----------------------------------------------------------------------------------------------------------------------------------------------------
S
--------------
Q
E
H
R
--------
L
L
R
H--------SSMAD
K
K
L
V
L
I
----------------
P
L
I
F
I
----
G
--
L
R
----
V
W
----
S
T
V
--
R
F
----
V
L
T
LCG--------S-P--------A--------V--Q-----T
P
V
L
V
V
L
H----------GIGNTFQG--
G
A
N
C
I
M
F
V
L
C
-------------------
T
R
A
V
R
T
R
L
F
S
L
---
C
C
C
C
CSSQPPTKSPAGTPKAPAP-------SKPGE-SQESQGTPGELPST--------------
24
HHSearch
82.32
16%
-128
- 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
KY
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
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
TGTW
D
A
Y
L
--------
H
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
-------------------------------------------------------------
29
HHSearch
81.89
12%
-125
- C2 -
2KS9
1
NK1R_HUMAN
A:
[35-326]
-----------------------------------------------------------------------
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
--
L
-----
S
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
IY
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
P
G
D
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
----------------------------------------------------------------------------------------------------------------------------------------------------
D
--------------
R
Y
H
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
--------
L
KK
F
-----
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
A
G
D
Y
E
G
L
E
M
K
S
T
R
Y
L
-------
Q
T
Q
G
S
-
V
Y
K
V
S
R
L
E
T
T
I
S
T
V
--------------
41
Fugue
81.84
17%
-81
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
-----------------------
M
N
G
T
E
G
P
N
F
Y
V
------
P
FSNKTGVVRSPFEAPQYYLAE
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
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
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
---------------------
43
Fugue
81.44
16%
-114
- C2 -
1F88
8
OPSD_BOVIN
A:
[1-348]
---MN
G
T
E
G
PNFYVPFSNKTGVV
R
S
P
F
E
A
P
Q
Y
Y
L
AE
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
M
QC
S
-----------
C
G
I
D
Y
YTPHEET
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
GS
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
------------------------------------------
50
Fugue
79.37
19%
-107
- C1 -
3P4G
16
?
A:
[23-323]
----------------------H
S
F
D
H
Y
I
G
S
A
F
D
------
A
-------------------------
S
----
N
N
N
V
A
V
TGN
V
S
A
T
L
N
V
L
A
G
D
D
K
V
S
I
D
G
N
V
-
E
D
----
V
L
V
A
A
N
V
A
V
L
D
-----
M
G
T
-----
G
N
D
Q
L
Y
V
--
A
-----
G
-
D
--
V
L
G
K
--
I
-----
D
---------
A
G
T
G
N
------
D
E
I
Y
I
K
------
G
D
V
S
A
A
V
D
-------
A
G
T
G
N
D
E
V
Y
-
I
G
G
----
N
L
S
G
D
L
---
D
A
---
G
T
--
D
-----
N
D
N
I
Q
I
G
G
D
-------
V
NAA
L
N
A
----------------
G
T
GN
D
N
L
I
I
G
H
D
V
S
G
I
V
N
M
G
----
T
D
N
D
-
T
V
E
V
G
R
-----------------
T
I
-------
N
A
-
S
G
----
K
---
V
----
L
-
L
DTGD
D
S
L
L
V
S
G
-
D
L
F
G
-------
E
V
D
------------------------
G
G
T
G
N
D
T
I
I
------------------------------
I
--------------------------------------------------------------------------------------------------------------------------------------------------
A
----------------------------------------------------------------------------------------------------------------------------------------------------
G
--------------
K
V
S
G
--------
N
I
Q
G
--------
G
T
G
N
D
-----------------------
I
V
R
V
----
Q
--
S
Q
----
V
W
----
A
E
A
--
N
I
----
S
L
G
-------------------------------
T
--
G
-----
D
D
V
L
I
V
E
H
----------
E
L
H
G
T
V
A
G
NE
G
D
D
S
I
Y
L
K
F
Y
-------------------
T
K
E
Q
Y
N
-------------
N
N
S
D
L
R
N
R
V
A
N
F
E
H
I
R
V
S
-------
D
G
------
V
V
K
G
S
P
A
D
F
A
D
Y
--------------
22
HHSearch
76.27
16%
-115
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[48-497]
---------------------------------
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
TGTW
D
--------------
A
Y
G
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
----------------------------------------------------
46
Fugue
76.18
14%
-113
- C2 -
4L8T
-
A:
[64-447]
EYLG
M
L
Q
Y
K
RED
E
A
K
L
I
Q
N
L
ILD
L
K
P
R
G
V
V
V
N
M
I
------
P
-------------------------
G
----
L
P
A
H
I
L
---
F
M
C
V
R
Y
A
D
-
S
L
N
D
A
N
M
L
K
S
L
-
M
N
----
S
T
I
N
G
I
K
Q
V
V
K
E
H
L
ED
F
E
M
-----
L
S
F
W
L
S
N
--
T
-----
C
-
H
--
F
L
N
C
--
L
-----
K
-----
Q
--
Y
S
G
E
E
E
FMKHNS
P
Q
Q
N
-
K
------
N
C
L
N
N
F
D
L
-------
S
E
Y
R
Q
I
L
S
D
-
V
A
I
----
R
I
Y
H
Q
F
---
I
I
I
M
E
K
N
--
I
-----
Q
P
I
I
V
P
G
M
L
-------
E
---
Y
E
--------------------------
S
L
Q
G
Y
T
M
T
S
V
L
----
Q
Q
L
S
-
Y
F
Y
T
T
M
--------------
C
Q
N
G
L
-----------
D
----
P
---
E
----
L
-
V
------
R
Q
A
V
K
-
Q
L
F
F
-------
L
I
G
A
V
T
L
N
S
L
------
F
L
--
R
K
D
M
C
S
C
R
K
G
M
-
Q
I
R
C
------------------------------
N
--------------------------------------------------------------------------------------------------------------------------------------------------
I
----------------------------------------------------------------------------------------------------------------------------------------------------
S
--------------
Y
L
E
E
--------
W
L
K
D
K
NLQN
S
L
A
K
E
T
L
E
P
L
S
Q
A
A
----------------
W
L
L
Q
V
----
K
--
K
T
----
T
D
----
S
D
A
--
K
E
----
I
Y
E
R
C
T
--------
S
L
S
--------
A
--------
V
--
Q
-----
I
I
K
I
L
N
S
Y
----------
T
P
I
D
D
F
E
K
--
R
V
T
P
S
F
V
R
K
V
-------------------
Q
A
L
L
N
S
R
E
-----------
D
S
S
Q
L
M
L
D
T
K
Y
L
F
Q
V
T
F
P
-------
F
T
P
S
P
H
A
L
E
M
I
Q
I
P
S
S
F
K
L
G
FLNRL---------
27
HHSearch
75.19
13%
-121
- C2 -
3V2Y
1
ENLYS_BPT4
A:
[63-495]
---------------------------------
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
SGAT-
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
GLRL
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
TGT
W
----------------------------------------------------------------------------------------------------------------------------------------------------
D
--------------
A
Y
A
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
--------
T
--------
C
--
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
-----------------------------------------------------------
31
HHSearch
72.96
14%
-110
- C2 -
1U19
14
OPSD_BOVIN
A:
[42-327]
------------------------------------------------------------------
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
EETN
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
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
-----------------------------
45
Fugue
72.72
14%
-118
* C1 *
3K9D
1
?
A:
[3-456]
--------LED
K
D
L
R
S
I
Q
E
V
R
N
L
I
E
S
A
N
K
A
Q
K
E
L
------
A
-------------------------
A
MS
Q
Q
Q
I
D
T
I
V
---
K
A
I
A
D
A
G
Y
-
G
A
R
E
K
L
A
K
M
A
H
-
E
E
TGFG
I
W
Q
D
K
V
I
K
N
V
F
-----
A
S
K
-----
H
V
Y
N
Y
I
K
--
D
-----
M
-
K
--
T
I
G
M
--
L
-----
K
-----
E
--
D
N
E
K
K
V
------
M
E
V
A
-
V
P
L
G
V
V
A
G
L
I
P
S
T
N
P
-------
T
S
T
V
I
Y
K
T
L
-
I
S
I
K
A
G
N
S
I
V
F
S
P
HPN
A
L
K
A
I
L
E
--
T
-----
V
R
I
I
S
E
A
A
E
K
A
GCPKG
A
---
I
S
C
M
TVPT
I
Q
G
T
D
Q
L
M
K
HK
D
T
---
A
V
I
L
A
T
G
G
S
A
M
V
K
A
A
----
Y
S
S
G
-
T
P
A
I
G
V
G
PGN
G
P
--------
A
F
I
E
R
-------
S
A
N
I
P
----
R
---
A
----
V
-
K
------
H
I
L
D
S
-
K
T
F
D
NGTICAS
E
Q
S
V
V
V
E
R
V
N
------
K
E
A
V
I
A
E
F
R
K
Q
G
A
H
F
L
S
D
A
E
------------------------------
A
--------------------------------------------------------------------------------------------------------------------------------------------------
V
----------------------------------------------------------------------------------------------------------------------------------------------------
Q
--------------
L
G
K
F
--------
I
L
R
P
--------
N
G
S
M
N
P
A
I
V
G
K
----------------
S
V
Q
H
I
A
N
L
A
G
--
L
T
----
V
P
----
A
D
A
--
R
V
----
L
I
A
E
E
T
KVGAKIPY
S
-
R
--------
E
--------
K
--
L
-----
A
P
I
L
A
F
Y
T
A
ET
W
Q
E
A
C
E
L
S
M
D
I
L
Y
H
E
--
G
A
G
H
T
L
I
I
H
S
-------------------
E
D
K
E
I
I
R
E
F
A
L
K
KP
V
S
R
L
L
V
N
T
P
G
A
L
G
G
I
G
A
T
T
N
L
V
P
ALTLGCG
A
V
G
G
S
-
S
S
S
D
N
I
G
P
E
N
L
F
N
I
R
R
I
A
T
G
VLELEDIR
33
HHSearch
72.47
18%
-110
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[39-322]
---------------------------------
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
--
N
N
S
S
P
V
--------------
C
Y
E
V
L
-------
G
N
-
D
T
----
A
KWR
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
IQE
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
-----------------------------------------------------------
26
HHSearch
69.41
11%
-132
- C2 -
2Z73
5
OPSD_TODPA
A:
[34-335]
---------------------------------
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
------------------------------
R
LNAKE---------------------------------------------------------------------------------------------------------------------------------------------
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
---------------------------
44
Fugue
61.06
13%
-100
- C2 -
3LFM
3
FTO_HUMAN
A:
[16-489]
---------------------------
P
R
G
S
H
M
T
------
P
-------------------------
K
----
D
D
--
E
F
---
Y
Q
Q
W
Q
L
K
Y
-
P
K
L
I
L
R
E
A
S
S
V
-
S
E
----
E
L
H
K
E
V
Q
E
A
F
L
-----
T
L
H
K
H
GC
L
F
R
D
L
V
R
I
QG
K
-----
D
-
L
--
L
T
P
V
--
S
-----
R
-----
I
--
L
I
G
N
P
G
------
C
T
Y
K
-
Y
------
L
N
T
R
L
F
T
V
PWPVKA
E
I
A
A
A
C
E
T
F
L
-
K
L
N
----
D
Y
L
Q
I
E
---
T
I
Q
A
L
E
E
--
L
-----
A
A
D
E
V
D
I
K
S
-------
R
---
A
A
Y
----------------
N
V
---
T
L
L
N
F
M
D
P
Q
K
M
P
Y
L
K
E
EPY
F
G
M
G
-
K
M
A
V
S
W
HHDENLVDR
S
A
V
A
V
Y
S
Y
S
C
-------
E
G
-
R
D
----
P
---
D
----
I
-
W
------
H
V
G
F
K
-
I
S
W
D
-------
I
E
T
P
G
L
A
I
P
L
H
QG
D
C
Y
F
M
L
D
D
L
N
A
T
H
Q
H
C
V
L
A
G
S
Q
P
------------------------------
R
--------------------------------------------------------------------------------------------------------------------------------------------------
F
----------------------------------------------------------------------------------------------------------------------------------------------------
S
--------------
S
T
H
R
VAECSTGT
L
D
Y
I
--------
L
Q
R
C
Q
L
A
L
Q
N
V
CDDVDNDDVSLKSFE
P
A
V
L
K
Q
----
G
--
E
E
----
I
H
----
N
E
V
--
E
F
EW
L
R
Q
F
W
F
Q
G
--------
N
-
R
--------
Y
--------
R
--
K
CTDWW
C
Q
P
M
A
Q
L
E
----------
A
L
W
K
K
M
E
G
--
V
T
N
A
V
L
H
E
V
K
REVEQRNEILTAI
L
A
S
L
T
A
R
Q
N
L
R
R
E
W
H
A
R
---
C
Q
S
R
I
A
R
T
P
A
D
Q
K
P
E
C
R
P
Y
W
E
K
D
-------
D
A
S
M
P
L
P
F
D
L
T
D
I
V
S
E
L
R
G
Q
--------------
23
HHSearch
60.17
18%
-140
- C2 -
3UON
2
ACM2_HUMAN (first)
A:
[26-160]
-----------------------------------------------------------------------
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
VK
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
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
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
--------------
42
Fugue
59.30
11%
-117
- C2 -
3UM7
4
KCNK4_HUMAN
A:
[25-290]
-----------------------------------------------------------------------------------------------------------
R
A
M
R
S
T
T
L
L
A
L
-----
L
A
L
-----
V
L
L
Y
L
V
S
--
G
-----
A
-
L
--
V
F
R
A
--
L
-----
E
-----
Q
--
P
H
E
Q
Q
A
------
Q
R
E
L
-
G
------
E
V
R
E
K
F
L
R
-------
A
H
P
C
V
S
D
Q
E
-
L
G
L
----
L
I
K
E
V
A
---
D
A
L
G
G
G
A
--
D
-----
P
E
----
T
Q
S
-------
T
---
S
A
W
----------------
D
L
---
G
S
A
F
F
F
S
G
T
I
I
T
T
I
G
----
Y
G
N
V
-
A
L
R
--------------------
T
D
-------
A
G
-
R
L
----
F
---
C
----
I
-
F
------
Y
A
L
V
G
I
P
L
F
G
-------
I
L
L
A
G
V
G
D
R
L
------
G
S
S
L
R
H
G
I
G
H
I
E
A
I
F
L
K
W
H
P
------------------------------
E
--------------------------------------------------------------------------------------------------------------------------------------------------
L
----------------------------------------------------------------------------------------------------------------------------------------------------
V
--------------
R
V
L
S
--------
A
M
L
F
--------
L
L
I
G
C
L
L
F
V
L
T
----------------
P
T
F
V
F
----
C
--
Y
M
EDWS
K
L
----
E
A
I
--
Y
F
----
V
I
V
T
L
T
--------
T
-
V
--------
G
--------
F
--
G
-----
D
Y
V
-
A
G
A
D
----------
P
R
Q
D
S
P
A
Y
--
Q
P
L
V
W
F
W
I
L
L
-------------------
G
L
A
Y
F
A
S
V
L
T
T
---
I
G
N
W
L
R
V
V
S
R
R
T
----------------------------------------------------
28
HHSearch
57.95
19%
-128
- C2 -
3EML
8
ENLYS_BPT4
A:
[22-156]
----------------------------------------
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
TG
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
--------------
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
A
G
F
T
N
-------
S
L
R
M
L
-
Q
Q
K
R
W
D
E
A
A
V
N
L
A
K
--------------
34
HHSearch
55.76
17%
-129
- C2 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-179]
-----------------------------------------------------------------------
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
GG
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
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
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
--------------
6
PsiBlast_PDB
54.83
30%
-110
- C2 -
3OE6
5
CXCR4_HUMAN (first)
A:
[50-170]
--------------------------------
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
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
A
G
F
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
--------------
3
PsiBlast_PDB
54.80
30%
-116
- C2 -
3OE9
1
CXCR4_HUMAN (first)
A:
[50-170]
--------------------------------
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
N
I
F
E
M
L
R
I
D
------------------------------
E
--------------------------------------------------------------------------------------------------------------------------------------------------
G
----------------------------------------------------------------------------------------------------------------------------------------------------
L
--------------
R
L
K
I
--------
Y
K
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
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
--------------
1
PsiBlast_PDB
53.93
30%
-120
- C2 -
4RWS
-
CXCR4_HUMAN (first)
A:
[49-169]
--------------------------------
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
--------
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
C
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
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
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
--------------