@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 : AGRE3_HUMAN: (2016-01-08 )
MQGPLLLPGLCFLLSLFGAVTQKTKTSCAKCPPNASCVNNTHCTCNHGYTSGSGQKLFTFPLETCNDINECTPPYSVYCGFNAVCYNVEGSFYCQCVPGYRLHSGNEQFSNSNENTCQDTTSSKTTEGRKELQKIVDKFESLLTNQTLWRTEGRQEISSTATTILRDVESKVLETALKDPEQKVLKIQNDSVAIETQAITDNCSEERKTFNLNVQMNSMDIRCSDIIQGDTQGPSAIAFISYSSLGNIINATFFEEMDKKDQVYLNSQVVSAAIGPKRNVSLSKSVTLTFQHVKMTPSTKKVFCVYWKSTGQGSQWSRDGCFLIHVNKSHTMCNCSHLSSFAVLMALTSQEEDPVLTVITYVGLSVSLLCLLLAALTFLLCKAIRNTSTSLHLQLSLCLFLAHLLFLVGIDRTEPKVLCSIIAGALHYLYLAAFTWMLLEGVHLFLTARNLTVVNYSSINRLMKWIMFPVGYGVPAVTVAISAASWPHLYGTADRCWLHLDQGFMWSFLGPVCAIFSANLVLFILVFWILKRKLSSLNSEVSTIQNTRMLAFKATAQLFILGCTWCLGLLQVGPAAQVMAYLFTIINSLQGFFIFLVYCLLSQQVQKQYQKWFREIVKSKSESETYTLSSKMGPDSKPSEGDVFPGQVKRKY
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.......390.......400.......--------410---.........420.......430.......440.......450.......460.......470.......480.....-.-.-490.---........500.-------.-------.----------..----....--510.......520.......530..-...---.------------.540.......550.......-560.......570.--------.-----.------------..---..580.--......590.......600.......610.......620.......630.......640.......650
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MQGPLL
L
P
G
L
C
---
F
L
L
S
L
F
G
A
V
T
Q
K
TKTSC-A--K-CPPNASCVN----N
T
---
H
C
T
--CNH---GYTSGSG
Q
K
L
F
T
FP
L
E
T
CN-
D
I
N
ECTPP
Y
S
V
Y
CG
F
N
A
V
C
Y
NV--E-----G
S
F
Y
C
Q
CVPG
Y
R
LHSGNEQ-----------FSNSNENTCQDTTSSKT
T
E
G
R
K
E
L
Q
K
I
V
D
K
F
E
S
L
L--TNQ
T
L
--WRTE
G
R
Q
E
I
S
S
T
A
-----------
T
T
I
L
R
D
V
E
S
K
--
V
L
E
T
A
LKDP
E
Q
K
V
L
K
IQND
S
V
A
I
E
T
QAITDNCSEE
R
K
T
F
-
N
L
N
-
V
Q
M
N
S
M
D
I
R
C
S
D
IIQGDTQGP
S
A
I
A
F
I
S
Y
S
S
L
G
N
I
I
---
N
A
---------
T
F
------
F
E
E
MDK-----KD
Q
V
Y
LN
S
Q
V
V
S
AAIGPK-RN-VSLS
K
S
V
T
L
T
F
Q
H
V
KMTPST
K
K
V
F
---
C
V
Y
W---KSTGQG--SQWSRD
G
C
F
L
I
H
VNKSH
T
M
C
N
C
S
H
L
S
S
F
A
V
L
M
A
L
TSQEED
P
V
L
T
V
I
T
Y
V
G
L
S
V
S
L
L
C
L
L
L
A
A
L
T
F
L
L
C
K
A
I
RNTS
T
S
L
H
L
Q
L
S
L
C
L
F
L
A
H
L
L
F
L
VG--------I-----DRT
E
P
K
V
L
C
S
I
I
A
G
A
L
H
Y
L
Y
L
A
A
F
T
W
M
L
L
EG
V
H
L
F
L
T
AR
N
L
T
V
V
N
Y
S
S
I
N
R
L
M
K
W
I
M
F
PVGYGV
P
A
V
T
V
A
I
SAASWP-H-L-Y--G---TAD
R
C
W
L
HL--D-------Q-------
G
----------
F
M
----
W
S
F
L
--
G
P
V
C
A
I
F
S
A
N
L
V
L
F
I
L
V
F
W
I
L
K
R
K
L
-
S
S
L
---
N
------------
S
E
V
S
T
IQN
T
R
M
L
A
F
KAT
A
Q
L
F
-
I
L
G
C
T
W
C
L
G
L
L
QVG--------
P
-----
A
------------
A
Q
---
V
M
A
Y
L
F
--
T
I
I
N
S
L
Q
G
F
F
I
F
L
V
Y
C
L
L
S
Q
Q
V
Q
K
Q
Y
Q
K
W
F
R
E
I
V
KSKSESE
T
Y
T
LSSKMGPDSKPSEGDVFP
G
Q
VKRKY
74
Fugue
78.60
18%
-39
- C4 -
4DLQ
16
A:
[18-381]
----
V
S
P
E
L
F
C
E
PR
E
V
R
R
V
Q
W
P
A
T
Q
Q
G
M
L
V
E
-
R
--
P
-
C
P
K
G
T
R
G
I
A
----
S
F
---
Q
C
L
--
P
A
L
---
G
L
W
N
P
R
G
P
D
L
S
N
C
T
S
P
W
V
N
-
Q
V
A
Q
K
I
K
S
G
E
N
A
A
N
I
A
S
E
L
A
R
H
T
R
G
-----
S
I
Y
A
G
D
V
S
S
S
V
K
L
M
E
Q
L
L
D
-----------
I
L
D
A
Q
L
Q
A
L
R
N
K
M
H
K
R
E
R
T
C
K
D
Y
I
K
A
V
V
E
T
V
D
N
L
L
RP
E
A
L
E
S
--
W
K
D
M
N
A
T
E
Q
V
H
T
A
-----------
T
M
L
L
D
V
L
E
E
G
--
A
F
L
L
A
D
N
V
R
E
P
A
R
F
L
A
A
K
Q
N
V
V
L
E
V
T
V
L
S
T
E
G
Q
V
Q
E
L
V
F
P
Q
E
Y
-
A
S
E
S
S
I
Q
L
S
A
N
T
I
K
Q
N
S
R
N
G
V
V
K
V
V
F
I
L
Y
N
N
L
G
L
F
L
---
S
T
ENATVKLA
G
E
A
------
G
T
G
G
P
G
-----
G
A
S
L
V
V
N
S
Q
V
I
A
A
S
I
N
K
E
S
S
R
-
V
F
L
M
D
P
V
I
F
T
V
A
H
L
E
A
K
N
H
F
N
A
N
----
C
S
F
W
---
N
Y
S
E
R
S
M
L
G
Y
W
S
T
Q
G
C
R
L
V
E
S
N
K
T
H
T
T
C
A
C
S
H
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
73.35
25%
-59
* C5 *
4DLQ
14
A:
[154-381]
-------------------------------------------------------------------------------------------------------------------------------------------------------
E
R
T
C
K
D
Y
-----------
I
K
A
V
V
E
T
V
D
N
L
L
--
R
P
E
A
L
E
S
W
K
D
M
N
A
T
E
Q
V
H
T
A
-----------
T
M
L
L
D
V
L
E
E
G
A
F
L
L
A
D
N
V
R
E
P
A
R
F
L
A
A
K
Q
N
--
V
V
L
E
V
T
V
L
S
T
E
G
Q
V
Q
E
L
V
F
-
P
Q
E
Y
A
S
E
S
S
I
Q
L
S
A
N
T
I
K
Q
N
S
R
N
G
V
V
K
V
V
F
I
L
Y
N
N
L
G
L
F
L
STE
N
A
---------
T
V
KLA
G
E
A
G
T
G
G
P
G
-----
G
A
S
L
V
V
N
S
Q
V
I
A
A
S
I
N
K
E
-
S
S
R
V
F
L
M
D
P
V
I
F
T
V
A
H
L
E
----
A
K
N
H
F
N
A
N
C
S
F
W
---
N
Y
S
E
R
S
M
L
G
Y
W
S
T
Q
G
C
R
L
V
E
S
N
K
T
H
T
T
C
A
C
S
H
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
64.35
51%
-29
- C3 -
2BOX
4
AGRE2_HUMAN
A:
[5-95]
------------------------------
C
-
A
--
R
W
C
P
Q
D
S
S
C
V
N
----
A
T
---
A
C
R
--
C
N
P
---
G
F
S
S
F
S
--
E
I
I
T
T
P
M
E
T
C
D
-
D
I
N
E
C
A
T
----
S
C
G
K
F
S
D
C
W
N
T
--
E
-----
G
S
Y
D
C
V
C
S
P
G
Y
E
P
V
S
G
A
K
T
-----------
F
K
N
E
S
E
N
T
C
Q
D
V
D
E
C
S
S
G
Q
H
Q
C
D
S
S
T
V
C
F
N
T
V
G
S
Y
--
S
C
R
C
G
--
W
K
P
R
H
G
I
P
N
N
Q
K
D
-----------
T
V
C
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
62.96
51%
-30
- C3 -
2BOU
5
AGRE2_HUMAN
A:
[5-95]
------------------------------
C
-
A
--
R
W
C
P
Q
D
S
S
C
V
N
----
A
T
---
A
C
R
--
C
N
P
---
G
F
S
S
F
S
--
E
I
I
T
T
P
M
E
T
C
D
-
D
I
N
E
C
A
T
----
S
C
G
K
F
S
D
C
W
N
T
--
E
-----
G
S
Y
D
C
V
C
S
P
G
Y
E
P
V
S
G
A
K
T
-----------
F
K
N
E
S
E
N
T
C
Q
D
V
D
E
C
S
S
G
Q
H
Q
C
D
S
S
T
V
C
F
N
T
V
G
S
Y
--
S
C
R
C
R
--
P
G
W
K
P
R
H
G
I
P
N
N
Q
-----------
K
D
T
V
C
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
61.39
51%
-34
- C3 -
2BO2
3
AGRE2_HUMAN
A:
[5-95]
------------------------------
C
-
A
--
R
W
C
P
Q
D
S
S
C
V
N
----
A
T
---
A
C
R
--
C
N
P
---
G
F
S
S
F
S
--
E
I
I
T
T
P
M
E
T
C
D
-
D
I
N
E
C
A
T
L
S
K
V
S
C
G
K
F
S
D
C
W
N
T
--
E
-----
G
S
Y
D
C
V
C
S
P
G
Y
E
P
V
S
G
A
K
T
-----------
F
K
N
E
S
E
N
T
C
Q
D
V
D
E
C
S
S
G
Q
H
Q
C
D
S
S
T
V
C
F
N
T
V
G
S
Y
--
S
C
R
C
R
--
P
G
W
K
P
R
H
G
I
P
N
N
Q
-----------
K
D
T
V
C
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
61.33
51%
-33
- C3 -
2BO2
2
AGRE2_HUMAN
B:
[5-95]
------------------------------
C
-
A
--
R
W
C
P
Q
D
S
S
C
V
N
----
A
T
---
A
C
R
--
C
N
P
---
G
F
S
S
F
S
--
E
I
I
T
T
P
M
E
T
C
D
-
D
I
N
E
C
A
T
L
S
--
S
C
G
K
F
S
D
C
W
N
T
--
E
-----
G
S
Y
D
C
V
C
S
P
G
Y
E
P
V
S
G
A
K
T
-----------
F
K
N
E
S
E
N
T
C
Q
D
V
D
E
C
S
S
G
Q
H
Q
C
D
S
S
T
V
C
F
N
T
V
G
S
Y
--
S
C
R
C
R
--
P
G
W
K
P
R
H
G
I
P
N
N
Q
-----------
K
D
T
V
C
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
61
HHSearch
57.07
10%
-134
- C4 -
2KS9
1
NK1R_HUMAN
A:
[37-324]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
EHP----
N
KIY
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
DSS
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
DLYLKKF-----
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
50
HHSearch
56.44
10%
-139
* C4 *
2Z73
5
OPSD_TODPA
A:
[35-333]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
RD
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
FGPLE
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
-----------
62
HHSearch
52.88
14%
-136
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[43-322]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
PNN
S
S
P
V
C
Y
E
V
L
GN
D
-------
T
AKWRM--
V
LRILP-----
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
QVIQE
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
-----------------------------------
7
PsiBlast_PDB
52.48
23%
-132
- C4 -
4L6R
1
GLR_HUMAN
A:
[208-394]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
C
R
V
A
A
V
F
M
Q
Y
G
I
V
A
N
Y
C
W
L
L
V
E
G
L
Y
L
H
N
L
L
G
L
A
T
L
P
E
R
S
F
F
S
-----
L
Y
L
G
I
G
W
G
A
P
M
L
F
V
-
V
P
W
A
V
V
K
-
C
-
L
-
F
--
E
---
N
V
-
Q
C
W
T
S
N
--
D
-------
N
M------
G
----------
F
W
----
W
I
L
R
--
F
P
V
F
L
A
I
L
I
N
F
F
I
F
V
R
I
V
Q
L
L
V
A
K
L
-
R
A
-----------------
R
Q
M
H
H
T
D
Y
K
F
R
L
A
K
S
T
L
T
L
I
P
-
L
L
G
V
H
E
V
V
F
A
F
V
T
D
--------
E
-----
H
------------
A
Q
G
T
L
R
S
A
K
L
F
F
D
L
F
L
S
S
F
Q
G
L
L
V
A
V
L
Y
C
F
L
N
K
E
V
Q
S
E
L
R
R
R
W
H
R
W
R
L
G
K
V
L
W
E
E
R
N
-------------------------
6
PsiBlast_PDB
51.40
25%
-90
- C5 -
4DLO
-
AGRB3_HUMAN
A:
[267-368]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
L
---
G
A
---------
V
L
------
Y
K
N
L
D
L
ILPTL
R
N
Y
T
V
I
N
S
K
I
I
V
V
T
I
R
P
E
-
P
K
-
T
T
D
S
---
F
L
E
I
E
L
A
H
L
A
N
G
T
L
N
P
Y
---
C
V
L
W
D
DS---
E
S
L
--
G
T
W
S
T
Q
G
C
K
T
V
L
T
D
A
S
H
T
K
C
L
C
D
R
L
S
T
F
A
I
L
A
Q
Q
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
72
HHSearch
49.20
34%
-79
- C3 -
3H5C
2
B:
[8-82]
----------------------------
C
I
S
-
Q
--
P
-
C
L
H
N
G
S
C
Q
D
SIW-
G
Y
---
T
C
T
--
C
S
P
---
G
Y
E
G
S
-----------
N
C
E
L
A
K
N
E
C
H
P
E
R
T
D
G
C
Q
--
H
F
C
L
P
G
--
Q
-----
E
S
Y
T
C
S
C
A
Q
G
Y
R
L
G
E
D
H
K
Q
-----------
C
V
P
H
D
Q
C
A
C
G
V
L
T
S
E
K
R
A
P
D
L
Q
D
L
P
W
Q
V
K
L
T
N
S
E
G
--
K
D
F
C
G
--
G
V
I
I
R
E
N
F
V
L
T
T
A
-----------
K
C
S
L
L
H
R
N
I
T
--
V
K
T
Y
F
N
R
T
S
Q
D
P
L
M
I
K
I
T
H
V
H
V
H
M
R
Y
D
A
D
A
G
E
N
D
L
S
L
L
E
-
L
E
W
-
P
I
Q
C
P
G
A
G
L
P
V
C
T
P
E
K
D
F
A
E
H
L
L
I
P
R
T
R
G
L
L
S
G
W
A
R
---
N
G
---------
T
D
------
L
G
N
S
L
T
-----
T
R
P
V
T
L
V
E
G
E
E
C
G
Q
V
L
N
V
-
T
V
-
T
T
R
T
Y
C
E
R
S
S
V
A
A
M
H
W
M
D
G
S
V
V
T
R
---
E
H
R
G
---
S
W
F
L
T
G
--
V
L
G
S
Q
P
V
G
G
Q
A
H
M
V
L
V
T
K
V
S
R
Y
S
L
W
F
K
Q
I
M
N
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
54
HHSearch
48.70
8%
-140
- C4 -
1U19
14
OPSD_BOVIN
A:
[46-327]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
TPHEETN
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
GSD--
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
------------
78
Fugue
45.59
25%
21
- C3 -
1CEJ
-
A:
[1-96]
------------------------
N
I
S
Q
H
Q
C
-
V
K
K
Q
-
C
P
Q
N
S
G
C
F
R
H
LDE
R
E
---
E
C
K
--
C
L
L
---
N
Y
K
Q
E
-
G
D
K
C
V
E
N
P
N
P
T
C
N
-
E
N
N
G
-------
G
C
D
A
D
A
K
C
T
E
E
--
D
SGSN
G
K
K
I
T
C
E
C
T
K
P
D
S
Y
P
L
F
D
G
I
-----------
F
C
S
S
S
N
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
44.46
33%
36
- C3 -
1DX5
1
TRBM_HUMAN
J:
[48-106]
---------------------------
Q
T
A
C
P
A
--
D
-
C
D
P
N
T
--------
Q
A
---
S
C
E
--
C
P
E
---
G
Y
I
L
D
D
G
F
--------
I
C
T
-
D
I
D
E
C
E
N
--
G
G
F
C
--
S
G
V
C
H
N
L
--
P
-----
G
T
F
E
C
I
C
G
P
D
S
A
L
A
G
Q
I
G
T
-----------
D
C
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
44.34
29%
-96
- C2 -
4K5Y
4
CRFR1_HUMAN (first)
A:
[275-423]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
W
D
A
Y
D
R
L
R
A
W
M
F
I
C
I
G
W
G
V
P
F
P
I
I
V
A
W
A
I
G
---
K
-
L
-
Y
--
Y
---
D
N
E
K
C
W
A
G
K
--
R
-------
P
-------
G
----------
V
Y
----
T
D
Y
I
Y
Q
G
P
M
A
L
V
L
L
I
N
F
I
F
L
F
N
I
V
R
I
L
M
T
K
L
R
A
S
T
---
T
------------
S
E
--
T
I
Q
A
R
K
--
A
V
K
A
T
L
V
L
L
P
L
L
G
I
T
Y
M
L
A
F
V
N
-----------E
V
---
S
------------
R
V
---
V
F
I
Y
F
N
--
A
F
L
E
S
F
Q
G
F
F
V
S
V
F
A
C
F
L
N
S
-------------------------------------------------
51
HHSearch
43.37
12%
-135
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[50-238]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
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
8
PsiBlast_PDB
42.54
23%
8
- C3 -
3P5C
2
L:
[37-200]
-----------------------------------
E
-
C
G
T
N
E
C
L
D
N
----
N
G
---
G
C
S
HV
C
N
D
LKI
G
Y
E
C
L
C
P
D
G
F
Q
L
V
A
Q
R
R
C
E
-
D
I
D
E
C
Q
D
P
D
T
C
----
S
Q
L
C
V
N
L
--
E
-----
G
G
Y
K
C
Q
C
E
E
G
F
Q
L
D
P
H
T
K
A
CKAVGSIAYLF
F
T
N
R
H
E
V
R
K
M
T
L
D
R
S
E
Y
T
S
L
I
P
N
L
R
N
V
V
A
L
D
T
E
V
A
--
S
N
R
I
Y
--
W
S
D
L
S
Q
R
M
I
C
S
T
Q
LDRAHGVSSYD
T
V
I
S
R
D
I
Q
A
P
--
D
G
L
A
V
D
W
I
H
S
N
I
Y
W
T
D
S
V
L
G
T
V
S
V
A
D
T
K
G
V
K
R
K
T
L
F
R
E
N
-
G
S
K
-
P
R
A
I
V
V
D
P
V
H
G
F
M
Y
W
T
D
W
G
T
P
A
K
I
K
K
G
G
L
N
G
V
D
I
Y
S
---
L
V
---------
T
E
------
N
I
Q
W
P
N
-----
G
I
T
L
D
L
L
S
G
R
L
Y
W
V
D
S
K
L
-
H
S
-
I
S
S
I
D
V
N
G
G
N
R
K
T
I
L
E
D
E
K
R
L
A
H
P
---
F
S
L
A
---
V
F
E
D
K
V
--
F
W
T
D
I
I
N
E
A
I
F
S
A
N
R
L
T
G
S
D
V
N
L
L
A
E
N
L
L
S
P
E
D
M
V
L
F
H
N
L
T
Q
P
R
G
V
N
W
C
E
R
T
T
L
S
N
G
G
C
Q
Y
L
C
L
P
A
P
Q
I
N
P
H
S
P
K
F
T
C
A
C
P
D
G
M
L
L
A
R
D
M
R
S
C
L
T
E
--------
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
PsiBlast_CBE
42.32
31%
3
- C3 -
4XL1
5
D:
[13-72]
-------------------------------------
C
E
H
A
G
K
C
L
N
----
T
L
GSF
E
C
Q
--
C
L
Q
---
G
Y
T
G
P
R
C
E
I
-----------
D
V
N
E
C
I
---
S
N
P
C
Q
N
D
A
T
C
L
D
Q
--
I
-----
G
E
F
Q
C
I
C
M
P
G
Y
E
G
V
Y
C
E
I
N
-----------
T
D
E
C
A
S
S
P
C
L
H
N
G
R
C
V
D
K
I
N
E
F
L
C
Q
C
P
K
G
F
S
G
H
L
C
--
Q
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
67
HHSearch
42.23
32%
-72
* C3 *
3P5B
1
L:
[20-78]
--------------------------------------------------
G
Y
---
E
C
L
--
C
P
D
---
G
F
Q
L
V
A
Q
--------
R
R
C
E
-
D
I
D
E
C
Q
D
P
--
D
T
C
S
--
Q
L
C
V
N
L
--
E
-----
G
G
Y
K
C
Q
C
E
E
G
F
Q
L
D
P
H
T
K
A
-----------
C
K
A
V
G
S
I
A
Y
L
F
F
T
N
R
H
E
V
R
K
M
T
L
D
R
S
E
Y
T
S
L
I
P
N
L
--
R
N
V
V
A
--
L
D
T
E
V
A
S
N
R
I
Y
W
S
-----------
D
L
S
Q
R
M
I
C
S
T
--
Q
L
S
S
Y
D
T
V
I
S
R
D
I
Q
A
P
D
G
L
A
V
D
W
I
H
S
N
I
Y
W
T
D
S
V
L
G
T
V
S
-
V
A
D
-
T
K
G
V
K
R
K
T
L
F
R
E
N
G
S
K
P
R
A
I
V
V
D
P
V
H
G
F
M
Y
W
T
D
W
G
T
---
P
A
---------
K
I
------
K
K
G
G
L
N
-----
G
V
D
I
Y
S
L
V
T
E
N
I
Q
W
P
N
G
I
-
T
L
-
D
L
L
S
G
R
L
Y
W
V
D
S
K
L
H
S
I
S
S
I
D
V
N
G
---
G
N
R
K
---
T
I
L
E
D
E
--
K
R
L
A
H
P
F
S
L
A
V
F
E
D
K
V
F
W
T
D
I
I
N
E
A
I
F
S
A
N
R
L
T
G
S
D
V
N
L
L
A
E
N
L
L
S
P
E
D
M
V
L
F
H
N
L
T
Q
P
R
G
V
N
W
C
E
R
T
T
L
S
N
G
G
C
Q
Y
L
C
L
P
A
P
Q
I
N
P
H
S
P
K
F
T
C
A
C
--------
P
-----
D
G
M
L
L
A
R
D
M
R
S
C
L
T
E
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------