@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 : OR4A5_HUMAN: (2016-01-13 )
MRQNNNITEFVLLGFSQDPGVQKALFVMFLLTYLVTVVGNLLIVVDIIASPSLGSPMYFFLACLSFIDAAYSTTISPKLIVGLFCDKKTISFQGCMGQLFIDHFFGGAEVFLLVVMACDRYVAICKPLHYLTIMNRQVCFLLLVVAMIGGFVHSAFQIVVYSLPFCGPNVIVHFSCDMHPLLELACTDTYFIGLTVVVNSGAICMVIFNLLLISYGVILSSLKTYSQEKRGKALSTCSSGSTVVVLFFVPCIFIYVRPVSNFPTDKFMTVFYTIITHMLSPLIYTLRNSEMRNAIEKLLGKKLTIFIIGGVSVLM
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)
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MRQNNNI
T
E
F
V
L
L
GF---SQ---------------DP-
G
V
Q
K
A
L
F
V
M
F
-------
L
L
T
------
Y
L
--
V
T
V
VG
N
L
-------
L
I
V
V
D
I
IASPSLG
S
P
M
Y
F
-
F
L
---
A
C
L
S
F
I
D
A
A
YSTTI-SP
K
L
I
V
G
L
F
-C------DKKTI
S
F
Q
G
C
M
G
Q
L
F
I
D
----
H
FFG
G
A
E
V
F
L
L
V
V
M
A
C
D
R
Y
V
A
I
C
K
P
L
H
Y
L
T
I
---M
N
-
R
Q
V
C
F
L
L
L
V
V
A
M
I
G
G
F
V
--
H
S
---
A
F
Q
I
V
V
YS--LP-----FCGP
N
V
I
V
H
FSCDM
H
P
L
L
E
LAC-T
D
----
T
Y
F
I
G
L
T
V
V
VNSG
A
I
C
M
V
I
F
N
L
L
L
I
S
Y
G
V
I
L
S
S
L
K
T
Y
S
Q
-
E
------------K---------------------RG
K
A
L
STCSSG
S
T
V
V
V
L
F
F
V
P
C
I
F
I
Y
V
RPV--S--------N---F----P---T
D
K
---------
F
M
T
V
F
Y
T
I
--------
I
T
H
M
L
S
P
L
I
Y
-
T
LR
N
S
E
M
R
N
A
I
E
----
K
L
L---------GK
K
L
T
I
F
I
----IGG
V
-----
S
VLM-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
HHSearch
84.88
17%
-148
- C3 -
2Z73
5
OPSD_TODPA
A:
[33-334]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
Y
Y
S
L
G
I
F
I
-------
G
I
C
------
G
I
--
I
G
C
G
G
N
G
-------
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
-
F
I
---
I
N
L
A
F
S
D
F
T
F
S
L
V
N
G
F
P
L
M
T
I
S
C
F
-
L
------
K
K
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
----
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
R
P
M
A
A
S
K
K
---
M
S
-
H
R
R
A
F
I
M
I
I
F
V
W
L
W
S
V
L
--
W
A
---
I
G
P
I
F
G
W
G
--
A
Y
--------
T
L
E
G
V
L
C
N
C
S
F
D
Y
I
S
R
D
----------
S
T
T
R
S
N
I
L
C
M
F
I
L
G
F
F
G
P
I
L
I
I
F
F
C
Y
F
N
I
V
M
S
V
S
N
H
E
K
-
E
------------
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
A
N
A
E
M
R
L
A
K
I
S
I
V
I
V
S
Q
F
L
L
S
W
S
P
Y
A
V
V
A
L
L
A
Q
--
F
--------
G
PLE
W
VT--
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
80.92
17%
-134
- C3 -
1F88
8
OPSD_BOVIN
A:
[1-348]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MN
G
T
E
G
PNFYVPF
S
N
K
T
G
V
V
R
S
P
F
E
A
P
Q
---
Y
Y
LA-------------
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
GMQC
S
C
G
I
--------
D
Y
Y
T
P
H
E
E
T
N
-
N
E
----
S
F
V
I
Y
M
F
V
V
-----
H
F
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
V
K
E
A
A
A
S
A
------------
T
---------------------
T
Q
K
A
E
K
E
V
T
R
M
V
I
I
M
V
I
A
F
L
I
C
W
L
P
Y
A
G
V
A
--
F
--------
Y
---
I
----
F
---
T
H
Q
GSDFGPIFM
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
TVSK
T
E
T
S
-----
Q
V
A
P
A------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
Fugue
78.35
14%
-138
- 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
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
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
GRNTNGVI
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
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
TGTWDAYKFCL
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
QDNLIR
K
E
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
PLIYCRS
P
D
F
R
I
A
F
Q
E
L
L
CL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
HHSearch
78.34
14%
-155
- C3 -
2KS9
1
NK1R_HUMAN
A:
[34-325]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
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
----
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
-
P
GDSSDRYH
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
NPD-----
L
---
Y
LK--
K
FI
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
Fugue
78.19
17%
-122
- C3 -
1U19
15
OPSD_BOVIN
A:
[4-349]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
---
K
T
GVVRSPFEAPQYYLA
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
GMQC
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
GSDFGPIFM
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
CGKNPLGD
D
E
A
S
T
T
V
S
----
K
T
E
T
-----
S
Q
V
A
PA-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
HHSearch
74.66
16%
-142
- C3 -
1U19
14
OPSD_BOVIN
A:
[41-331]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
-
Q
------------
Q
QESA
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
L
G
----
D
D
E
A
-----
S
T
T
V
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
69.19
15%
-136
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[38-323]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
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
RTQVIQE
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
67.69
19%
-166
- C3 -
2RH1
6
ADRB2_HUMAN (first)
A:
[41-236]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
HHSearch
62.99
18%
-170
- C3 -
3EML
8
ENLYS_BPT4
A:
[22-222]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
ED--
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
62.16
19%
-174
* C3 *
3UON
2
ACM2_HUMAN (first)
A:
[25-215]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
I
V
L
V
A
-------
G
S
L
------
S
L
--
V
T
I
I
G
N
I
-------
L
V
M
V
S
I
K
V
N
R
H
L
Q
T
V
N
N
Y
-
F
L
---
F
S
L
A
C
A
D
L
I
I
G
V
F
S
-
M
N
L
Y
T
L
Y
T
V
-
I
------
G
Y
W
P
L
G
P
V
V
C
D
L
W
L
A
L
D
----
Y
V
V
S
N
A
S
V
M
N
L
L
I
I
S
F
D
R
Y
F
C
V
T
K
P
L
T
Y
P
V
K
---
R
T
-
T
K
M
A
G
M
M
I
A
A
A
W
V
L
S
F
I
--
L
W
---
A
P
A
I
L
F
W
Q
--
F
I
-----
V
-
G
V
R
T
V
E
D
G
E
C
Y
I
Q
F
F
S
--------------
N
A
A
V
T
F
G
T
A
I
A
A
F
Y
L
P
V
I
I
M
T
V
L
Y
W
H
I
S
R
A
S
K
S
R
I
N
-
I
------------
F
---------------------
E
M
L
R
I
D
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
61.81
25%
-171
- C3 -
4U15
1
ACM3_RAT
A:
[9-172]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
W
Q
V
V
F
I
A
F
-------
L
T
G
------
F
L
A
L
V
T
I
I
G
N
I
-------
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
-
F
L
L
S
L
A
C
A
D
L
I
I
G
V
I
S
M
N
L
-
F
T
T
Y
I
I
----
M
------
N
R
W
A
L
G
N
L
A
C
D
L
W
L
S
I
D
----
Y
V
A
S
N
A
S
V
M
N
L
L
V
I
S
F
D
R
Y
F
S
I
T
R
P
L
T
Y
R
A
K
---
R
T
-
T
K
R
A
G
V
M
I
G
L
A
W
V
I
S
F
V
--
L
W
---
A
P
A
I
L
F
W
Q
--
Y
------
F
V
G
K
R
T
V
P
P
G
E
C
F
I
Q
F
L
S
E
P
T
I
-
T
F
----
G
T
A
I
A
A
F
Y
M
P
V
T
I
M
T
I
L
Y
W
R
I
Y
K
E
T
E
K
M
N
I
F
E
M
L
R
I
D
E
G
-
G
------------
G
---------------------
S
G
G
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
61.62
25%
-176
- C3 -
4U14
1
ENLYS_BPT4
A:
[9-172]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
W
Q
V
V
F
I
A
F
-------
L
T
G
------
F
L
A
L
V
T
I
I
G
N
I
-------
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
-
F
L
L
S
L
A
C
A
D
L
I
I
G
V
I
S
M
N
L
-
F
T
T
Y
I
I
----
M
------
N
R
W
A
L
G
N
L
A
C
D
L
W
L
S
I
D
----
Y
V
A
S
N
A
S
V
M
N
L
L
V
I
S
F
D
R
Y
F
S
I
T
R
P
L
T
Y
R
A
K
---
R
T
-
T
K
R
A
G
V
M
I
G
L
A
W
V
I
S
F
V
--
L
W
---
A
P
A
I
L
F
W
Q
--
Y
------
F
V
G
K
R
T
V
P
P
G
E
C
F
I
Q
F
L
S
E
P
T
I
-
T
F
----
G
T
A
I
A
A
F
Y
M
P
V
T
I
M
T
I
L
Y
W
R
I
Y
K
E
T
E
K
M
N
C
F
E
M
L
R
I
D
E
G
-
L
------------
R
---------------------
L
K
I
Y
K
D
C
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
-----
C
A
L
I
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
61.21
25%
-176
- C3 -
4DAJ
2
ACM3_RAT (first)
A:
[9-172]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
W
Q
V
V
F
I
A
F
-------
L
T
G
------
F
L
A
L
V
T
I
I
G
N
I
-------
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
-
F
L
L
S
L
A
C
A
D
L
I
I
G
V
I
S
M
N
L
-
F
T
T
Y
I
I
----
M
------
N
R
W
A
L
G
N
L
A
C
D
L
W
L
S
I
D
----
Y
V
A
S
N
A
S
V
M
N
L
L
V
I
S
F
D
R
Y
F
S
I
T
R
P
L
T
Y
R
A
K
---
R
T
-
T
K
R
A
G
V
M
I
G
L
A
W
V
I
S
F
V
--
L
W
---
A
P
A
I
L
F
W
Q
--
Y
------
F
V
G
K
R
T
V
P
P
G
E
C
F
I
Q
F
L
S
E
P
T
I
-
T
F
----
G
T
A
I
A
A
F
Y
M
P
V
T
I
M
T
I
L
Y
W
R
I
Y
K
E
T
E
K
M
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
Fugue
60.83
11%
-152
- C2 -
2YYE
8
SELD_AQUAE
A:
[3-345]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
G
I
M
V
E
L
L
K
L
V
R
S
S
G
CAA
K
V
---------------
G
P
-
G
D
L
Q
E
I
L
K
G
F
NIYTDES
T
L
V
SIGDD
A
G
V
--
Y
E
H
N
G
I
I
-------
W
V
Y
T
V
D
I
I
T
P
V
V
N
D
P
Y
L
W
G
A
I
---
S
T
A
N
A
L
S
D
V
Y
A
M
G
G
-
I
P
V
N
A
L
A
I
S
-
C
F
N
NCEL
D
I
E
I
F
R
E
V
I
R
G
A
L
D
K
L
R
E
A
KT
V
L
L
G
G
H
T
I
D
D
K
E
P
K
F
G
L
S
V
A
G
I
C
P
E
G
K
Y
I
T
Q
---
S
G
A
Q
V
G
Q
L
L
I
L
T
K
P
I
G
T
G
I
L
--
I
K
---
G
L
K
-------
E
G
-----
I
L
K
E
E
D
I
N
E
A
I
E
N
M
L
A
L
N
D
K
A
R
-
N
L
----
M
L
S
L
D
A
T
A
C
T
D
V
T
G
F
G
L
L
G
H
A
W
N
I
C
K
N
S
N
I
G
A
R
I
F
F
E
K
V
-
P
------------
Y
---------------------
Y
Q
L
S
E
N
L
V
K
K
K
--
I
Y
P
K
G
A
I
E
N
L
N
F
V
K
N
Y
L
--
K
--------
S
---
N
----
L
---
D
N
W
---------
K
L
I
L
L
S
D
P
--------
V
T
S
--
G
G
L
L
F
-
T
I
N
K
E
K
L
E
K
I
D
E
----
T
A
K
---------
E
L
E
V
N
Y
W
I
----
I
G
E
T
I
AEN
V
L
E
V
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
60.20
25%
-173
- C3 -
4U16
1
?
A:
[9-172]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
W
Q
V
V
F
I
A
F
-------
L
T
G
------
F
L
A
L
V
T
I
I
G
N
I
-------
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
-
F
L
L
S
L
A
C
A
D
L
I
I
G
V
I
S
M
N
L
-
F
T
T
Y
I
I
----
M
------
N
R
W
A
L
G
N
L
A
C
D
L
W
L
S
I
D
----
Y
V
A
S
N
A
S
V
M
N
L
L
V
I
S
F
D
R
Y
F
S
I
T
R
P
L
T
Y
R
A
K
---
R
T
-
T
K
R
A
G
V
M
I
G
L
A
W
V
I
S
F
V
--
L
W
---
A
P
A
I
L
F
W
Q
--
Y
------
F
V
G
K
R
T
V
P
P
G
E
C
F
I
Q
F
L
S
E
P
T
I
-
T
F
----
G
T
A
I
A
A
F
Y
M
P
V
T
I
M
T
I
L
Y
W
R
I
Y
K
E
T
E
K
M
N
I
F
E
M
L
R
I
D
E
G
-
G
------------
G
---------------------
S
G
G
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
59.72
20%
-155
- C3 -
3RZE
2
ENLYS_BPT4 (first)
A:
[10-201]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
---------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
HHSearch
59.25
19%
-170
- C3 -
3V2Y
1
ENLYS_BPT4
A:
[63-250]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
HHSearch
59.04
18%
-157
- C3 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-226]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
A
L
S
Y
-------
C
A
L
------
I
L
--
A
I
V
F
G
N
G
-------
L
V
C
M
A
V
L
K
E
R
A
L
Q
T
T
T
N
Y
-
L
V
---
V
S
L
A
V
A
D
L
L
V
A
T
L
V
-
M
P
W
V
V
Y
L
E
V
T
G
------
G
V
W
N
F
S
R
I
C
C
D
V
F
V
T
L
D
----
V
M
M
C
T
A
S
I
W
N
L
C
A
I
S
I
D
R
Y
T
A
V
V
M
P
V
H
Y
Q
H
G
T
G
Q
S
S
-
C
R
R
V
A
L
M
I
T
A
V
W
V
L
A
F
A
--
V
S
---
C
P
L
L
F
G
F
N
--
T
-----------
T
G
D
P
T
V
C
S
I
S
N
P
------------
D
F
-----
V
I
Y
S
S
V
V
S
F
Y
L
P
F
G
V
T
V
L
V
Y
A
R
I
Y
V
V
L
K
Q
R
R
R
-
K
------------
N
---------------------
I
F
E
M
L
R
I
D
E
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
58.06
24%
-140
- C3 -
3RZE
2
ENLYS_BPT4 (first)
A:
[20-179]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
FYDV
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
Fugue
57.88
19%
-154
- C1 -
4RH7
6
DYHC2_HUMAN
A:
[397-3450]
QGE
V
T
I
R
E
A
L
R
E
L
D
L
W
G
V
G
AVFT
L
I
D
Y
E
D
SQ
S
R
T
M
K
L
I
K
D
W
K
D
I
V
N
Q
V
G
D
N
R
C
L
L
Q
S
L
K
D
SPYYKGF
E
D
K
V
S
I
W
E
R
K
L
A
E
L
D
E
Y
L
Q
N
L
N
H
I
Q
R
K
W
V
Y
L
E
P
I
F
G
R
G
AL
P
K
E
Q
T
R
F
N
R
V
D
E
D
F
R
S
I
M
T
D
I
K
K
D
NRVTTLTTHAG
I
R
N
S
L
L
T
I
L
D
Q
L
Q
R
C
Q
R
S
L
N
E
F
L
E
E
K
R
S
A
FPRFYFIG
D
D
D
L
L
E
I
L
G
Q
STN
P
S
V
I
Q
S
H
LKKLFAGIN
S
V
C
F
D
EKSKHIT
A
M
K
S
LEGE
V
V
P
F
K
N
K
V
P
L
S
NN
V
E
T
W
L
N
D
L
A
L
E
M
K
K
T
L
E
Q
L
L
K
E
C
V
T
T
G
R
SSQGAVDPSLFP
S
Q
I
L
C
L
A
E
Q
I
K
F
T
E
D
V
E
N
A
I
K
D
HSL
H
Q
I
E
T
Q
L
V
N
K
L
E
Q
Y
T
N
I
D
T
S
S
E
D
P
GNTESGILE
L
K
L
K
A
L
I
L
D
I
I
H
N
I
D
V
V
K
Q
L
N
Q
I
QVHTTED
W
A
W
K
K
Q
L
R
F
Y
MKSDH
T
C
C
V
Q
M
VD
S
E
F
Q
Y
TYEYQGNASKLVYT
P
L
T
D
K
C
Y
L
T
L
T
Q
A
M
K
M
G
L
G
G
N
P
Y
G
P
A
GTG
K
T
E
S
V
K
A
L
G
G
L
L
G
R
Q
V
L
V
F
N
C
D
EGID
V
K
S
M
G
R
I
F
V
G
L
V
K
C
G
A
W
G
C
F
D
EFNRLE
E
S
V
L
S
A
V
S
M
Q
I
Q
T
I
Q
D
A
L
K
N
HRT
V
C
E
L
LGKEVEVNSN
S
G
I
F
I
T
M
N
P
AGKGY
G
G
R
Q
K
L
P
D
N
L
K
Q
L
F
R
P
V
A
MSHPDN
E
L
I
A
E
V
I
L
Y
S
E
GFKD
A
K
V
L
S
R
K
L
V
A
I
F
N
L
S
R
E
LLTPQQHYDWG
L
R
A
L
K
T
V
L
R
G
S
G
N
L
L
R
Q
L
N
K
S
G
T
T
Q
N
A
N
E
S
H
I
V
V
Q
A
L
R
L
N
T
MSKFT
F
T
D
C
T
R
F
D
A
L
I
K
D
V
F
PGIELKEVEYD
E
L
S
A
A
L
K
Q
V
F
E
E
A
NYEII
P
N
Q
I
K
K
A
L
E
L
Y
E
Q
L
C
Q
RM
G
V
V
I
V
G
P
SGAG
K
S
T
L
W
R
M
L
R
A
A
L
C
K
TGK
V
V
K
Q
Y
T
M
NPKAMPRYQLLGHIDMDTR
E
W
S
D
G
V
L
T
N
S
A
R
Q
V
V
R
EPQD
V
S
S
W
I
I
C
D
G
D
I
D
PEWIESLNSVLDD
N
R
L
L
T
M
PSG
E
R
I
Q
F
G
PN
V
N
F
V
F
E
T
HDLSCAS
P
A
T
I
S
R
M
G
M
I
F
L
S
DEETD
L
N
S
L
I
K
S
W
L
R
N
QPAEY
R
N
N
L
E
N
W
I
G
D
YFE
K
A
L
Q
W
V
L
K
Q
NDYV
V
E
T
S
L
V
G
T
V
M
N
G
L
S
H
L
HGCRD
H
D
E
F
I
I
N
L
I
R
G
L
GGNLN
M
K
S
R
L
E
F
T
K
E
V
F
H
W
A
---
R
E
---------------
S
P
P
D
F
H
K
P
M
D
T
Y
Y
D
STRGR-
L
A
T
------
Y
V
--
L
K
K
P
E
D
L
TADDFSN
G
L
T
L
P
V
I
Q
T
P
D
M
Q
R
G
L
D
Y
-
F
K
---
P
W
L
S
------
S
D
T
K
-
Q
P
F
I
L
V
G
P
----------------
E
G
C
G
K
G
M
L
L
R
----
Y
A
F
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L
R
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T
Q
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A
T
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C
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---
T
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R
H
L
L
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K
---
L
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-
Q
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C
----
M
V
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T
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--
Y
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P
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D
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L
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L
Y
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--
K
D
-----
I
N
L
P
K
L
------
D
K
W
G
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T
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A
-
F
L
----
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Q
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T
Y
Q
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Y
D
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W
V
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L
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------
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S
A
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G
R
-
L
------------
G
---------------------
R
H
K
L
T
T
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F
T
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V
R
L
C
S
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------------------------
D
---
Y
----
P
---
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------------
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L
Q
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L
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L
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-----------
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W
---------
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-----
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GAKDVQWEF
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