@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 : gbs0507: (2015-12-01 )
MSIIKNLWWFFKEEKKRYLIGILSLSLVAVLNLIPPKIMGSVIDAITTGKLTRPQLLWNLLGLVLSALAMYGLRYIWRMYILGTSYKLGQVVRYRLFEHFTKMSPSFYQKYRTGDLMAHATNDINSLTRLAGGGVMSAVDASITALVTLITMFFTISWQMTLIAVIPLPLMALATSKLGRKTHETFKESQAAFSELNNKVQESVSGVKVTKSFGYQEQEIASFQEINQMTFVKNMRTMTYDVMFDPLVLLFIGASYVLTLAMGAFMISKGQVTVGDLVTFVTYLDMLVWPLMAIGFLFNMVQRGSVSYNRINSLLEQESDITDPLNPIKPVVNGTLRYDIDFFRYDNEETLADIHFTLEKGQTLGLVGQTGSGKTSLIKLLLREHDVTQGKITLNKHDIRDYRLSELRQLIGYVPQDQFLFATSILENVRFGNPTLSINAVKEATKLAHVYDDIEQMPAGFETLIGEKGVSLSGGQKQRIAMSRAMILDPDILILDDSLSAVDAKTEHAIVENLKTNRQGKSTIISAHRLSAVVHADLILVMRDGRVIERGQHQELLNKGGWYAETYASQQLEMEEAFDEV
Atome Classification :
(29 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---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-----------------------------------------------------
M
S
I
I
K
N
L
W
W
F
F
K
EEK
K
-
R
Y
----
L
I
G
I
L
S
L
S
L
V
A
V
L
NLI
P
P
K
I
M
G
S
V
I
D
--
A
I
TT---GKL----------------T--
R
P
Q
L
L
W
N
L
L
G
L
V
L
S
A
L
A
M
Y
G
L
-
R
Y
-
I
W
R
M
Y
ILGTS-
Y
K
L
G
Q
V
V
R
Y
R
L
----
F
E
H
F
T
KM----
S
P
S
F
Y
Q
K
YRTGD
L
M
AHAT
N
D
I
N
S
L
T
R
LAGG
G
V
M
S
A
V
D
A
S
I
T
A
L
V
T
L
I
T
M
F
F
T
I
S
W
Q
M
T
L
I
A
VIP
L
P
L
M
A
L
A
T
S
K
LG
R
K
T
H
E
T
F
K
E
S
Q
A
A
F
S
E
L
N
N
K
V
Q
E
S
VS
G
V
K
V
T
K
SFGY
Q
E
Q
E
I
A
S
F
-
Q
-
E
I
N
Q
M
T
F
V
K
NM
R
T
M
T
Y
D
V
M
F
D
P
L
V
L
L
F
I
G
A
S
Y
V
L
T
-
L
A
M
G
A
F
M
ISKG
Q
V
T
V
G
D
L
V
T
F
V
T
Y
L
D
M
L
V
W
P
L
M
A
I
G
F
L
---
F
N
M
V
Q
RGS---V
S
Y
N
R
I
N
S
L
L
E
QES--DITD--PLN-----
P
----
I
K
P
VVN
G
T
L
R
Y
D
I
D
F
----
F
R
Y-D---NE--E--
T
--
L
A
---
D
I
H
F
T
LEKG
Q
T
L
G
L
VGQTGS
G
K
T
S
L
I
K
L
L
L
R
EHDVT---Q
G
K
I
T
LNKHD
I
R
D
Y
R
L
S
E
L
R
Q
L
IGYVPQ
D
Q
F
L
F
A
T
S
I
L
E
NVRFG-NP-
T
---
L
S
I
N
A
V
K
E
A
T
K
L
A
H
V
Y
D
D
---
I
E
QMP
A
G
F
E
T
L
I
GEKGVSLSGGQK
Q
R
I
A
M
S
R
A
MILDP
D
I
L
I
LDDSLSAVDA
K
T
E
H
A
I
V
E
N
L
---KTNR--QGKS
T
I
I
S
A
H
R
L
S
A
V
V
H
A
D
L
I
L
V
MRD
G
R
V
IERG
Q
H
Q
E
L
L
NK--GGW
Y
A
E
---
T
Y
A
S
Q
Q
L
E
M
E
E
A
FDEV----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
89.04
31%
-94
- C1 -
2ONJ
4
Y1866_STAAM
B:
[1-578]
-------------------------------------------------------
M
I
K
R
Y
L
Q
F
V
K
P
Y
K
Y
-
R
I
FATI
I
V
G
I
I
K
F
G
I
P
M
L
I
P
L
L
I
K
Y
A
I
D
G
V
I
N
NH
A
L
T
T
---
D
E
K
----------------
V
--
H
H
L
T
I
A
I
G
I
A
L
F
I
F
V
I
V
R
P
P
I
-
E
F
-
I
R
Q
Y
L
A
Q
W
T
S
-
N
K
I
L
Y
D
I
R
K
K
L
----
Y
N
H
L
Q
A
L
----
S
A
R
F
Y
A
N
N
Q
V
G
Q
V
I
S
R
V
I
N
D
V
E
Q
T
K
D
F
I
L
T
G
L
M
N
I
W
L
D
C
I
T
I
I
I
A
L
S
I
M
F
F
-
L
D
V
K
L
T
L
A
A
L
F
I
F
P
F
Y
I
L
T
V
Y
V
F
F
G
R
L
R
K
L
T
R
E
R
S
Q
A
L
A
E
V
Q
G
F
L
H
E
R
V
Q
G
I
S
V
V
K
S
F
A
I
E
D
N
E
A
K
N
F
-
D
-
K
K
N
T
N
F
L
T
R
A
L
K
H
T
R
W
N
A
Y
S
F
A
A
I
N
T
V
T
D
I
G
P
I
I
V
-
I
G
V
G
A
Y
L
A
I
S
G
S
I
T
V
G
T
L
A
A
F
V
G
Y
L
E
L
L
F
G
P
L
R
R
L
V
A
S
---
F
T
T
L
T
Q
S
F
---
A
S
M
D
R
V
F
Q
L
I
D
E
D
Y
--
D
I
K
N
--
G
V
G
-----
A
-----
Q
P
I
E
I
K
Q
G
R
I
D
I
D
H
VS--
F
Q
Y
-
N
---
D
N
--
E
--
A
PI
L
K
---
D
I
N
L
S
I
E
K
G
E
T
V
A
F
V
G
M
S
G
G
G
K
S
T
L
I
N
L
I
P
R
F
Y
D
V
T
---
S
G
Q
I
L
I
D
G
H
N
I
K
D
F
L
T
G
S
L
R
N
Q
I
G
L
V
Q
Q
D
N
I
L
F
S
D
T
V
K
E
N
I
L
L
G
-
R
P
-
T
---
A
T
D
E
E
V
V
E
A
A
K
M
A
N
A
H
D
F
---
I
M
N
L
P
Q
G
Y
D
T
E
V
G
E
R
G
V
K
L
S
G
G
Q
K
Q
R
L
S
I
A
R
I
F
L
N
N
P
P
I
L
I
L
D
E
A
T
S
A
L
D
L
E
S
E
S
I
I
Q
E
A
L
---
D
V
L
S
--
K
D
R
T
T
L
I
V
A
H
R
L
S
T
I
T
H
A
D
K
I
V
V
I
E
N
G
H
I
V
E
T
G
T
H
R
E
L
I
A
K
--
Q
G
A
Y
E
H
---
L
Y
S
I
Q
N
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
88.94
31%
-95
- C1 -
2HYD
3
Y1866_STAAM
B:
[1-578]
-------------------------------------------------------
M
I
K
R
Y
L
Q
F
V
K
P
Y
K
Y
-
R
I
FATI
I
V
G
I
I
K
F
G
I
P
M
L
I
P
L
L
I
K
Y
A
I
D
G
V
I
N
NH
A
L
T
T
---
D
E
K
----------------
V
--
H
H
L
T
I
A
I
G
I
A
L
F
I
F
V
I
V
R
P
P
I
-
E
F
-
I
R
Q
Y
L
A
Q
W
T
S
-
N
K
I
L
Y
D
I
R
K
K
L
----
Y
N
H
L
Q
A
L
----
S
A
R
F
Y
A
N
N
Q
V
G
Q
V
I
S
R
V
I
N
D
V
E
Q
T
K
D
F
I
L
T
G
L
M
N
I
W
L
D
C
I
T
I
I
I
A
L
S
I
M
F
F
-
L
D
V
K
L
T
L
A
A
L
F
I
F
P
F
Y
I
L
T
V
Y
V
F
F
G
R
L
R
K
L
T
R
E
R
S
Q
A
L
A
E
V
Q
G
F
L
H
E
R
V
Q
G
I
S
V
V
K
S
F
A
I
E
D
N
E
A
K
N
F
-
D
-
K
K
N
T
N
F
L
T
R
A
L
K
H
T
R
W
N
A
Y
S
F
A
A
I
N
T
V
T
D
I
G
P
I
I
V
-
I
G
V
G
A
Y
L
A
I
S
G
S
I
T
V
G
T
L
A
A
F
V
G
Y
L
E
L
L
F
G
P
L
R
R
L
V
A
S
---
F
T
T
L
T
Q
S
F
---
A
S
M
D
R
V
F
Q
L
I
D
E
D
Y
--
D
I
K
N
--
G
V
G
-----
A
-----
Q
P
I
E
I
K
Q
G
R
I
D
I
D
H
VS--
F
Q
Y
-
N
---
D
N
--
E
--
A
PI
L
K
---
D
I
N
L
S
I
E
K
G
E
T
V
A
F
V
G
M
S
G
G
G
K
S
T
L
I
N
L
I
P
R
F
Y
D
V
T
---
S
G
Q
I
L
I
D
G
H
N
I
K
D
F
L
T
G
S
L
R
N
Q
I
G
L
V
Q
Q
D
N
I
L
F
S
D
T
V
K
E
N
I
L
L
G
-
R
P
-
T
---
A
T
D
E
E
V
V
E
A
A
K
M
A
N
A
H
D
F
---
I
M
N
L
P
Q
G
Y
D
T
E
V
G
E
R
G
V
K
L
S
G
G
Q
K
Q
R
L
S
I
A
R
I
F
L
N
N
P
P
I
L
I
L
D
E
A
T
S
A
L
D
L
E
S
E
S
I
I
Q
E
A
L
---
D
V
L
S
--
K
D
R
T
T
L
I
V
A
H
R
L
S
T
I
T
H
A
D
K
I
V
V
I
E
N
G
H
I
V
E
T
G
T
H
R
E
L
I
A
K
--
Q
G
A
Y
E
H
---
L
Y
S
I
Q
N
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
88.23
31%
-94
- C1 -
2ONJ
4
Y1866_STAAM
A:
[1-578]
-------------------------------------------------------
M
I
K
R
Y
L
Q
F
V
K
P
Y
K
Y
-
R
I
F
A
T
I
I
V
G
I
I
K
F
G
I
P
M
L
I
P
L
L
I
K
Y
A
I
D
G
V
I
N
NH
A
L
T
T
---
D
E
K
----------------
V
--
H
H
L
T
I
A
I
G
I
A
L
F
I
F
V
I
V
R
P
P
I
-
E
F
-
I
R
Q
Y
L
A
Q
W
T
S
-
N
K
I
L
Y
D
I
R
K
K
L
----
Y
N
H
L
Q
A
L
----
S
A
R
F
Y
A
N
N
Q
V
G
Q
V
I
S
R
V
I
N
D
V
E
Q
T
K
D
F
I
L
T
G
L
M
N
I
W
L
D
C
I
T
I
I
I
A
L
S
I
M
F
F
-
L
D
V
K
L
T
L
A
A
L
F
I
F
P
F
Y
I
L
T
V
Y
V
F
F
G
R
L
R
K
L
T
R
E
R
S
Q
A
L
A
E
V
Q
G
F
L
H
E
R
V
Q
G
I
S
V
V
K
S
F
A
I
E
D
N
E
A
K
N
F
-
D
-
K
K
N
T
N
F
L
T
R
A
L
K
H
T
R
W
N
A
Y
S
F
A
A
I
N
T
V
T
D
I
G
P
I
I
V
-
I
G
V
G
A
Y
L
A
I
S
G
S
I
T
V
G
T
L
A
A
F
V
G
Y
L
E
L
L
F
G
P
L
R
R
L
V
A
S
---
F
T
T
L
T
Q
S
F
---
A
S
M
D
R
V
F
Q
L
I
D
E
D
Y
--
D
I
K
N
--
G
V
G
-----
A
-----
Q
P
I
E
I
K
Q
G
R
I
D
I
D
H
V
S
--
F
Q
Y
-
N
---
D
N
--
E
--
A
PI
L
K
---
D
I
N
L
S
I
E
K
G
E
T
V
A
F
V
G
M
S
G
G
G
K
S
T
L
I
N
L
I
P
R
F
Y
D
V
T
---
S
G
Q
I
L
I
D
G
H
N
I
K
D
F
L
T
G
S
L
R
N
Q
I
G
L
V
Q
Q
D
N
I
L
F
S
D
T
V
K
E
N
I
L
L
G
-
R
P
-
T
---
A
T
D
E
E
V
V
E
A
A
K
M
A
N
A
H
D
F
---
I
M
N
L
P
Q
G
Y
D
T
E
V
G
E
R
G
V
K
L
S
G
G
Q
K
Q
R
L
S
I
A
R
I
F
L
N
N
P
P
I
L
I
L
D
E
A
T
S
A
L
D
L
E
S
E
S
I
I
Q
E
A
L
---
D
V
L
S
--
K
D
R
T
T
L
I
V
A
H
R
L
S
T
I
T
H
A
D
K
I
V
V
I
E
N
G
H
I
V
E
T
G
T
H
R
E
L
I
A
K
--
Q
G
A
Y
E
H
---
L
Y
S
I
Q
N
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
88.01
31%
-94
- C1 -
2HYD
3
Y1866_STAAM
A:
[1-578]
-------------------------------------------------------
M
I
K
R
Y
L
Q
F
V
K
P
Y
K
Y
-
R
I
F
A
T
I
I
V
G
I
I
K
F
G
I
P
M
L
I
P
L
L
I
K
Y
A
I
D
G
V
I
N
NH
A
L
T
T
---
D
E
K
----------------
V
--
H
H
L
T
I
A
I
G
I
A
L
F
I
F
V
I
V
R
P
P
I
-
E
F
-
I
R
Q
Y
L
A
Q
W
T
S
-
N
K
I
L
Y
D
I
R
K
K
L
----
Y
N
H
L
Q
A
L
----
S
A
R
F
Y
A
N
N
Q
V
G
Q
V
I
S
R
V
I
N
D
V
E
Q
T
K
D
F
I
L
T
G
L
M
N
I
W
L
D
C
I
T
I
I
I
A
L
S
I
M
F
F
-
L
D
V
K
L
T
L
A
A
L
F
I
F
P
F
Y
I
L
T
V
Y
V
F
F
G
R
L
R
K
L
T
R
E
R
S
Q
A
L
A
E
V
Q
G
F
L
H
E
R
V
Q
G
I
S
V
V
K
S
F
A
I
E
D
N
E
A
K
N
F
-
D
-
K
K
N
T
N
F
L
T
R
A
L
K
H
T
R
W
N
A
Y
S
F
A
A
I
N
T
V
T
D
I
G
P
I
I
V
-
I
G
V
G
A
Y
L
A
I
S
G
S
I
T
V
G
T
L
A
A
F
V
G
Y
L
E
L
L
F
G
P
L
R
R
L
V
A
S
---
F
T
T
L
T
Q
S
F
---
A
S
M
D
R
V
F
Q
L
I
D
E
D
Y
--
D
I
K
N
--
G
V
G
-----
A
-----
Q
P
I
E
I
K
Q
G
R
I
D
I
D
H
V
S
--
F
Q
Y
-
N
---
D
N
--
E
--
A
PI
L
K
---
D
I
N
L
S
I
E
K
G
E
T
V
A
F
V
G
M
S
G
G
G
K
S
T
L
I
N
L
I
P
R
F
Y
D
V
T
---
S
G
Q
I
L
I
D
G
H
N
I
K
D
F
L
T
G
S
L
R
N
Q
I
G
L
V
Q
Q
D
N
I
L
F
S
D
T
V
K
E
N
I
L
L
G
-
R
P
-
T
---
A
T
D
E
E
V
V
E
A
A
K
M
A
N
A
H
D
F
---
I
M
N
L
P
Q
G
Y
D
T
E
V
G
E
R
G
V
K
L
S
G
G
Q
K
Q
R
L
S
I
A
R
I
F
L
N
N
P
P
I
L
I
L
D
E
A
T
S
A
L
D
L
E
S
E
S
I
I
Q
E
A
L
---
D
V
L
S
--
K
D
R
T
T
L
I
V
A
H
R
L
S
T
I
T
H
A
D
K
I
V
V
I
E
N
G
H
I
V
E
T
G
T
H
R
E
L
I
A
K
--
Q
G
A
Y
E
H
---
L
Y
S
I
Q
N
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
85.32
32%
-104
- C1 -
3QF4
1
Y288_THEMA
B:
[46-590]
----------------------------------------------------------------------------------
V
T
V
S
S
I
L
G
V
L
S
P
Y
L
I
G
K
T
I
D
--
V
V
F
V
---
P
R
--------------------
R
F
D
L
L
P
R
Y
M
L
I
L
G
T
I
Y
A
L
T
S
L
-
L
F
-
W
L
Q
G
K
I
M
L
T
----
L
S
Q
D
V
V
F
R
L
R
K
E
L
F
E
K
L
Q
R
V
----
P
V
G
F
F
D
R
T
P
H
G
D
I
I
S
R
V
I
N
D
V
D
N
I
N
N
V
L
G
N
S
I
I
Q
F
F
-
S
G
I
V
T
L
A
G
A
V
I
M
M
F
R
V
N
V
I
L
S
L
V
T
L
S
I
V
P
L
T
V
L
I
T
Q
I
V
S
S
Q
T
R
K
Y
F
Y
E
N
Q
R
V
L
G
Q
L
N
G
I
I
E
E
D
I
S
G
L
T
V
I
K
L
F
T
R
E
E
K
E
M
E
K
F
-
D
-
R
V
N
E
S
L
R
K
V
G
T
K
A
Q
I
F
S
G
V
L
P
P
L
M
N
M
V
N
N
L
G
F
A
L
I
-
S
G
F
G
G
W
L
A
L
K
D
I
I
T
V
G
T
I
A
T
F
I
G
Y
S
R
Q
F
T
R
P
L
N
E
L
S
N
Q
---
F
N
M
I
Q
M
A
L
---
A
S
A
E
R
I
F
E
I
L
D
L
E
E
--
E
K
D
D
--
P
D
A
-----
V
----
E
L
R
E
V
R
G
E
I
E
F
K
N
V
W
----
F
S
Y
-
D
---
K
K
--
K
P-
V
--
L
K
---
D
I
T
F
H
I
K
P
G
Q
K
V
A
L
V
G
P
T
G
S
G
K
T
T
I
V
N
L
L
M
R
F
Y
D
V
D
---
R
G
Q
I
L
V
D
G
I
D
I
R
K
I
K
R
S
S
L
R
S
S
I
G
I
V
L
Q
D
T
I
L
F
S
T
T
V
K
E
N
L
K
Y
G
-
N
P
-
G
---
A
T
D
E
E
I
K
E
A
A
K
L
T
H
S
D
H
F
---
I
K
H
L
P
E
G
Y
E
T
V
L
T
D
N
G
E
D
L
S
Q
G
Q
R
Q
L
L
A
I
T
R
A
F
L
A
N
P
K
I
L
I
L
D
E
A
T
S
N
V
D
T
K
T
E
K
S
I
Q
A
A
M
---
W
K
L
M
--
E
G
K
T
S
I
I
I
A
H
R
L
N
T
I
K
N
A
D
L
I
I
V
L
R
D
G
E
I
V
E
M
G
K
H
D
E
L
I
Q
K
--
R
G
F
Y
Y
E
---
L
F
T
S
Q
Y
G
L
V
V
E
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
85.05
32%
-102
- C1 -
4Q4H
-
Y288_THEMA
B:
[46-590]
----------------------------------------------------------------------------------
V
T
V
S
S
I
L
G
V
L
S
P
Y
L
I
G
K
T
I
D
--
V
V
F
V
---
P
R
--------------------
R
F
D
L
L
P
R
Y
M
L
I
L
G
T
I
Y
A
L
T
S
L
-
L
F
-
W
L
Q
G
K
I
M
L
T
----
L
S
Q
D
V
V
F
R
L
R
K
E
L
F
E
K
L
Q
R
V
----
P
V
G
F
F
D
R
T
P
H
G
D
I
I
S
R
V
I
N
D
V
D
N
I
N
N
V
L
G
N
S
I
I
Q
F
F
-
S
G
I
V
T
L
A
G
A
V
I
M
M
F
R
V
N
V
I
L
S
L
V
T
L
S
I
V
P
L
T
V
L
I
T
Q
I
V
S
S
Q
T
R
K
Y
F
Y
E
N
Q
R
V
L
G
Q
L
N
G
I
I
E
E
D
I
S
G
L
T
V
I
K
L
F
T
R
E
E
K
E
M
E
K
F
-
D
-
R
V
N
E
S
L
R
K
V
G
T
K
A
Q
I
F
S
G
V
L
P
P
L
M
N
M
V
N
N
L
G
F
A
L
I
-
S
G
F
G
G
W
L
A
L
K
D
I
I
T
V
G
T
I
A
T
F
I
G
Y
S
R
Q
F
T
R
P
L
N
E
L
S
N
Q
---
F
N
M
I
Q
M
A
L
---
A
S
A
E
R
I
F
E
I
L
D
L
E
E
--
E
K
D
D
--
P
D
A
-----
V
----
E
L
R
E
V
R
G
E
I
E
F
K
N
V
W
----
F
S
Y
-
D
---
K
K
--
K
P-
V
--
L
K
---
D
I
T
F
H
I
K
P
G
Q
K
V
A
L
V
G
P
T
G
S
G
K
T
T
I
V
N
L
L
M
R
F
Y
D
V
D
---
R
G
Q
I
L
V
D
G
I
D
I
R
K
I
K
R
S
S
L
R
S
S
I
G
I
V
L
Q
D
T
I
L
F
S
T
T
V
K
E
N
L
K
Y
G
-
N
P
-
G
---
A
T
D
E
E
I
K
E
A
A
K
L
T
H
S
D
H
F
---
I
K
H
L
P
E
G
Y
E
T
V
L
T
D
N
G
E
D
L
S
Q
G
Q
R
Q
L
L
A
I
T
R
A
F
L
A
N
P
K
I
L
I
L
D
E
A
T
S
N
V
D
T
K
T
E
K
S
I
Q
A
A
M
---
W
K
L
M
--
E
G
K
T
S
I
I
I
A
H
R
L
N
T
I
K
N
A
D
L
I
I
V
L
R
D
G
E
I
V
E
M
G
K
H
D
E
L
I
Q
K
--
R
G
F
Y
Y
E
---
L
F
T
S
Q
Y
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
84.57
32%
-104
- C1 -
4Q4A
1
Y288_THEMA
B:
[46-590]
----------------------------------------------------------------------------------
V
T
V
S
S
I
L
G
V
L
S
P
Y
L
I
G
K
T
I
D
--
V
V
F
V
---
P
R
--------------------
R
F
D
L
L
P
R
Y
M
L
I
L
G
T
I
Y
A
L
T
S
L
-
L
F
-
W
L
Q
G
K
I
M
L
T
----
L
S
Q
D
V
V
F
R
L
R
K
E
L
F
E
K
L
Q
R
V
----
P
V
G
F
F
D
R
T
P
H
G
D
I
I
S
R
V
I
N
D
V
D
N
I
N
N
V
L
G
N
S
I
I
Q
F
F
-
S
G
I
V
T
L
A
G
A
V
I
M
M
F
R
V
N
V
I
L
S
L
V
T
L
S
I
V
P
L
T
V
L
I
T
Q
I
V
S
S
Q
T
R
K
Y
F
Y
E
N
Q
R
V
L
G
Q
L
N
G
I
I
E
E
D
I
S
G
L
T
V
I
K
L
F
T
R
E
E
K
E
M
E
K
F
-
D
-
R
V
N
E
S
L
R
K
V
G
T
K
A
Q
I
F
S
G
V
L
P
P
L
M
N
M
V
N
N
L
G
F
A
L
I
-
S
G
F
G
G
W
L
A
L
K
D
I
I
T
V
G
T
I
A
T
F
I
G
Y
S
R
Q
F
T
R
P
L
N
E
L
S
N
Q
---
F
N
M
I
Q
M
A
L
---
A
S
A
E
R
I
F
E
I
L
D
L
E
E
--
E
K
D
D
--
P
D
A
-----
V
----
E
L
R
E
V
R
G
E
I
E
F
K
N
V
W
----
F
S
Y
-
D
---
K
K
--
K
P-
V
--
L
K
---
D
I
T
F
H
I
K
P
G
Q
K
V
A
L
V
G
P
T
G
S
G
K
T
T
I
V
N
L
L
M
R
F
Y
D
V
D
---
R
G
Q
I
L
V
D
G
I
D
I
R
K
I
K
R
S
S
L
R
S
S
I
G
I
V
L
Q
D
T
I
L
F
S
T
T
V
K
E
N
L
K
Y
G
-
N
P
-
G
---
A
T
D
E
E
I
K
E
A
A
K
L
T
H
S
D
H
F
---
I
K
H
L
P
E
G
Y
E
T
V
L
T
D
N
G
E
D
L
S
Q
G
Q
R
Q
L
L
A
I
T
R
A
F
L
A
N
P
K
I
L
I
L
D
E
A
T
S
N
V
D
T
K
T
E
K
S
I
Q
A
A
M
---
W
K
L
M
--
E
G
K
T
S
I
I
I
A
H
R
L
N
T
I
K
N
A
D
L
I
I
V
L
R
D
G
E
I
V
E
M
G
K
H
D
E
L
I
Q
K
--
R
G
F
Y
Y
E
---
L
F
T
S
Q
Y
G
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
84.20
32%
-102
- C1 -
4Q4J
-
Y288_THEMA
B:
[46-590]
----------------------------------------------------------------------------------
V
T
V
S
S
I
L
G
V
L
S
P
Y
L
I
G
K
T
I
D
--
V
V
F
V
---
P
R
--------------------
R
F
D
L
L
P
R
Y
M
L
I
L
G
T
I
Y
A
L
T
S
L
-
L
F
-
W
L
Q
G
K
I
M
L
T
----
L
S
Q
D
V
V
F
R
L
R
K
E
L
F
E
K
L
Q
R
V
----
P
V
G
F
F
D
R
T
P
H
G
D
I
I
S
R
V
I
N
D
V
D
N
I
N
N
V
L
G
N
S
I
I
Q
F
F
-
S
G
I
V
T
L
A
G
A
V
I
M
M
F
R
V
N
V
I
L
S
L
V
T
L
S
I
V
P
L
T
V
L
I
T
Q
I
V
S
S
Q
T
R
K
Y
F
Y
E
N
Q
R
V
L
G
Q
L
N
G
I
I
E
E
D
I
S
G
L
T
V
I
K
L
F
T
R
E
E
K
E
M
E
K
F
-
D
-
R
V
N
E
S
L
R
K
V
G
T
K
A
Q
I
F
S
G
V
L
P
P
L
M
N
M
V
N
N
L
G
F
A
L
I
-
S
G
F
G
G
W
L
A
L
K
D
I
I
T
V
G
T
I
A
T
F
I
G
Y
S
R
Q
F
T
R
P
L
N
E
L
S
N
Q
---
F
N
M
I
Q
M
A
L
---
A
S
A
E
R
I
F
E
I
L
D
L
E
E
--
E
K
D
D
--
P
D
A
-----
V
----
E
L
R
E
V
R
G
E
I
E
F
K
N
V
W
----
F
S
Y
-
D
---
K
K
--
K
P-
V
--
L
K
---
D
I
T
F
H
I
K
P
G
Q
K
V
A
L
V
G
P
T
G
S
G
K
T
T
I
V
N
L
L
M
R
F
Y
D
V
D
---
R
G
Q
I
L
V
D
G
I
D
I
R
K
I
K
R
S
S
L
R
S
S
I
G
I
V
L
Q
D
T
I
L
F
S
T
T
V
K
E
N
L
K
Y
G
-
N
P
-
G
---
A
T
D
E
E
I
K
E
A
A
K
L
T
H
S
D
H
F
---
I
K
H
L
P
E
G
Y
E
T
V
L
T
D
N
G
E
D
L
S
Q
G
Q
R
Q
L
L
A
I
T
R
A
F
L
A
N
P
K
I
L
I
L
D
E
A
T
C
N
V
D
T
K
T
E
K
S
I
Q
A
A
M
---
W
K
L
M
--
E
G
K
T
S
I
I
I
A
H
R
L
N
T
I
K
N
A
D
L
I
I
V
L
R
D
G
E
I
V
E
M
G
K
H
D
E
L
I
Q
K
--
R
G
F
Y
Y
E
---
L
F
T
S
Q
Y
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
103
HHSearch
81.75
25%
-91
- C1 -
3WMG
6
?
A:
[16-598]
----------------------------------------------------------
R
I
F
A
L
A
W
S
S
S
A
T
M
I
----
V
I
G
F
I
A
S
I
L
E
G
A
T
L
P
A
F
A
I
V
F
G
R
M
F
Q
--
V
F
T
K
---
S
K
S
----------------
Q
I
-
E
G
E
T
W
K
Y
S
V
G
F
V
G
I
G
V
F
E
F
I
V
-
A
G
-
S
R
T
A
L
F
G
I
A
S
-
E
R
L
A
R
D
L
R
V
A
A
----
F
S
N
L
V
E
Q
----
D
V
T
Y
F
D
R
R
K
A
G
E
L
G
G
K
L
N
N
D
V
Q
V
I
Q
Y
S
F
S
K
L
-
G
A
V
L
F
N
L
A
Q
-
C
V
V
G
I
I
V
A
F
I
F
A
P
A
L
T
G
V
L
I
A
L
S
P
L
V
V
L
A
V
V
V
Q
M
I
E
M
S
G
N
T
K
R
S
S
E
A
Y
A
S
A
G
S
V
A
A
E
V
F
S
N
I
R
T
T
K
A
F
E
A
E
R
Y
E
T
Q
R
Y
-
G
-
S
K
L
D
P
L
Y
R
L
G
R
R
R
Y
I
S
D
G
L
F
F
G
L
S
M
L
V
I
F
C
V
Y
A
L
A
-
L
W
W
G
G
Q
L
I
A
R
G
S
L
N
L
G
N
L
L
T
A
F
F
S
A
I
L
G
F
M
G
V
G
Q
A
A
Q
V
---
W
P
D
V
T
R
G
L
---
G
A
G
G
E
L
F
A
M
I
D
R
V
P
--
Q
Y
R
R
--
P
D
P
G
A
E
V
V
T
----
Q
P
L
V
L
K
Q
G
I
V
F
E
N
V
H
----
F
R
Y
-
P
---
T
R
MN
V
E-
V
--
L
R
---
G
I
S
L
T
I
P
N
G
K
T
V
A
I
V
G
G
S
G
A
G
K
S
T
I
I
Q
L
L
M
R
F
Y
D
I
E
PQG
G
G
L
L
L
F
D
G
T
P
A
W
N
Y
D
F
H
A
L
R
S
Q
I
G
L
V
S
Q
E
P
V
L
F
S
G
T
I
R
D
N
I
L
Y
G
-
K
R
-
D
---
A
T
D
E
E
V
I
Q
A
L
R
E
A
N
A
Y
S
F
---
V
M
A
L
P
D
G
L
D
T
E
V
G
E
R
G
L
A
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
I
L
K
H
P
T
L
L
C
L
D
E
S
T
S
A
L
D
A
E
S
E
A
L
V
Q
E
A
L
---
D
R
M
M
A
S
D
G
V
T
S
V
V
I
A
H
R
L
S
T
V
A
R
A
D
L
I
L
V
M
Q
D
G
V
V
V
E
Q
G
N
H
S
E
L
M
A
L
GP
S
G
F
Y
Y
Q
---
L
V
E
K
Q
L
A
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
121
Fugue
80.88
28%
-84
- C1 -
3B60
2
MSBA_SALTY
A:
[10-581]
-----------------------------------------------------
W
Q
T
F
R
R
L
W
P
T
I
A
P
F
K
A
-
G
L
----
I
V
A
G
I
A
L
I
L
N
A
A
S
D
T
F
M
L
S
L
L
K
P
L
L
D
--
D
G
F
G
---
K
T
-----------------
D
--
R
S
V
L
L
W
M
P
L
V
V
I
G
L
M
I
L
R
G
I
T
-
S
Y
-
I
S
S
Y
C
I
S
W
V
S
-
G
K
V
V
M
T
M
R
R
R
L
----
F
G
H
M
M
G
M
----
P
V
A
F
F
D
K
Q
S
T
G
T
L
L
S
R
I
T
Y
D
S
E
Q
V
A
S
S
S
S
G
A
L
I
T
V
V
R
E
G
A
S
I
I
G
L
F
I
M
M
F
Y
Y
-
S
W
Q
L
S
I
I
L
V
V
L
A
P
I
V
S
I
A
I
R
V
V
S
K
R
F
R
S
I
S
K
N
M
Q
N
T
M
G
Q
V
T
T
S
A
E
Q
M
L
K
G
H
K
E
V
L
I
F
G
G
Q
E
V
E
T
K
R
F
-
D
-
K
V
S
N
K
M
R
L
Q
G
M
K
M
V
S
A
S
S
I
S
D
P
I
I
Q
L
I
A
S
L
A
L
A
F
V
-
L
Y
A
A
S
F
P
S
V
M
D
S
L
T
A
G
T
I
T
V
V
F
S
S
M
I
A
L
M
R
P
L
K
S
L
T
N
V
---
N
A
Q
F
Q
R
G
M
---
A
A
C
Q
T
L
F
A
I
L
D
S
E
Q
--
E
K
D
E
--
G
K
R
-----
V
----
I
D
R
A
-
T
G
D
L
E
F
R
N
V
T
----
F
T
Y
-
P
---
G
R
--
E
--
V
PA
L
R
---
N
I
N
L
K
I
P
A
G
K
T
V
A
L
V
G
R
S
G
S
G
K
S
T
I
A
S
L
I
T
R
F
Y
D
I
D
---
E
G
H
I
L
M
D
G
H
D
L
R
E
Y
T
L
A
S
L
R
N
Q
V
A
L
V
S
Q
N
V
H
L
F
N
D
T
V
A
N
N
I
A
Y
A
-
R
T
E
E
---
Y
S
R
E
Q
I
E
E
A
A
R
M
A
Y
A
M
D
F
---
I
N
K
M
D
N
G
L
D
T
I
I
G
E
N
G
V
L
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
L
R
D
S
P
I
L
I
L
D
E
A
T
S
A
L
D
T
E
S
E
R
A
I
Q
A
A
L
---
D
E
L
Q
--
K
N
R
T
S
L
V
I
A
H
R
L
S
T
I
E
Q
A
D
E
I
V
V
V
E
D
G
I
I
V
E
R
G
T
H
S
E
L
L
A
Q
--
H
G
V
Y
A
Q
---
L
H
K
M
Q
F
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
100
HHSearch
80.72
28%
-85
- C1 -
3B60
2
MSBA_SALTY
A:
[12-581]
-------------------------------------------------------
T
F
R
R
L
W
P
T
I
A
P
F
K
A
-
G
L
----
I
V
A
G
I
A
L
I
L
N
A
A
S
D
T
F
M
L
S
L
L
K
P
L
L
D
--
D
G
F
G
---
K
T
D
-------------------
R
S
V
L
L
W
M
P
L
V
V
I
G
L
M
I
L
R
G
I
T
-
S
Y
-
I
S
S
Y
C
I
S
W
V
S
-
G
K
V
V
M
T
M
R
R
R
L
----
F
G
H
M
M
G
M
----
P
V
A
F
F
D
K
Q
S
T
G
T
L
L
S
R
I
T
Y
D
S
E
Q
V
A
S
S
S
S
G
A
L
I
T
V
V
R
E
G
A
S
-
I
I
G
L
F
I
M
M
F
Y
Y
S
W
Q
L
S
I
I
L
V
V
L
A
P
I
V
S
I
A
I
R
V
V
S
K
R
F
R
S
I
S
K
N
M
Q
N
T
M
G
Q
V
T
T
S
A
E
Q
M
L
K
G
H
K
E
V
L
I
F
G
G
Q
E
V
E
T
K
R
F
-
D
-
K
V
S
N
K
M
R
L
Q
G
M
K
M
V
S
A
S
S
I
S
D
P
I
I
Q
L
I
A
S
L
A
L
A
F
V
-
L
Y
A
A
S
F
P
S
V
M
D
S
L
T
A
G
T
I
T
V
V
F
S
S
M
I
A
L
M
R
P
L
K
S
L
T
N
V
---
N
A
Q
F
Q
R
G
M
---
A
A
C
Q
T
L
F
A
I
L
D
S
E
Q
--
E
K
D
E
--
G
K
R
----------
V
I
D
R
A
T
G
D
L
E
F
R
N
V
T
----
F
T
Y
-
P
---
G
R
E-
V
P-
A
--
L
R
---
N
I
N
L
K
I
P
A
G
K
T
V
A
L
V
G
R
S
G
S
G
K
S
T
I
A
S
L
I
T
R
F
Y
D
I
D
---
E
G
H
I
L
M
D
G
H
D
L
R
E
Y
T
L
A
S
L
R
N
Q
V
A
L
V
S
Q
N
V
H
L
F
N
D
T
V
A
N
N
I
A
Y
A
-
R
T
-
E
E--
Y
S
R
E
Q
I
E
E
A
A
R
M
A
Y
A
M
D
F
---
I
N
K
M
D
N
G
L
D
T
I
I
G
E
N
G
V
L
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
L
R
D
S
P
I
L
I
L
D
E
A
T
S
A
L
D
T
E
S
E
R
A
I
Q
A
A
L
---
D
E
L
Q
--
K
N
R
T
S
L
V
I
A
H
R
L
S
T
I
E
Q
A
D
E
I
V
V
V
E
D
G
I
I
V
E
R
G
T
H
S
E
L
L
A
Q
--
H
G
V
Y
A
Q
---
L
H
K
M
Q
F
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
79.80
29%
-87
- C1 -
3B60
2
MSBA_SALTY
A:
[26-579]
------------------------------------------------------------------------------
G
L
I
V
A
G
I
A
L
I
L
N
A
A
S
D
T
F
M
L
S
L
L
K
--
P
L
L
D
DGF
G
K
T
----------------
D
--
R
S
V
L
L
W
M
P
L
-
V
V
I
G
L
M
I
L
R
G
I
T
S
Y
-
I
S
S
Y
C
I
S
W
V
S
-
G
K
V
V
M
T
M
R
R
R
L
----
F
G
H
M
M
G
M
----
P
V
A
F
F
D
K
Q
S
T
G
T
L
L
S
R
I
T
Y
D
S
E
Q
V
A
S
S
S
S
G
A
L
I
T
V
V
R
E
G
-
A
S
I
I
G
L
F
I
M
M
F
Y
Y
S
W
Q
L
S
I
I
L
V
V
L
A
P
I
V
S
I
A
I
R
V
V
S
K
R
F
R
S
I
S
K
N
M
Q
N
T
M
G
Q
V
T
T
S
A
E
Q
M
L
K
G
H
K
E
V
L
I
F
G
G
Q
E
V
E
T
K
R
F
-
D
-
K
V
S
N
K
M
R
L
Q
G
M
K
M
V
S
A
S
S
I
S
D
P
I
I
Q
L
I
A
S
L
A
L
A
F
V
-
L
Y
A
A
S
F
P
S
V
M
D
S
L
T
A
G
T
I
T
V
V
F
S
S
M
I
A
L
M
R
P
L
K
S
L
T
N
V
---
N
A
Q
F
Q
R
G
M
---
A
A
C
Q
T
L
F
A
I
L
D
S
E
Q
--
E
-
K
D
--
E
G
K
-----
R
----
V
I
D
R
A
T
G
D
L
E
F
R
N
V
T
----
F
T
Y
-
P
---
G
R
--
E
VP
A
--
L
R
---
N
I
N
L
K
I
P
A
G
K
T
V
A
L
V
G
R
S
G
S
G
K
S
T
I
A
S
L
I
T
R
F
Y
D
I
D
---
E
G
H
I
L
M
D
G
H
D
L
R
E
Y
T
L
A
S
L
R
N
Q
V
A
L
V
S
Q
N
V
H
L
F
N
D
T
V
A
N
N
I
A
Y
A
R
T
E
-
E
---
Y
S
R
E
Q
I
E
E
A
A
R
M
A
Y
A
M
D
F
---
I
N
K
M
D
N
G
L
D
T
I
I
G
E
N
G
V
L
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
L
R
D
S
P
I
L
I
L
D
E
A
T
S
A
L
D
T
E
S
E
R
A
I
Q
A
A
L
---
D
E
L
Q
--
K
N
R
T
S
L
V
I
A
H
R
L
S
T
I
E
Q
A
D
E
I
V
V
V
E
D
G
I
I
V
E
R
G
T
H
S
E
L
L
A
Q
--
H
G
V
Y
A
Q
---
L
H
K
M
Q
F
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
78.09
31%
-93
- C1 -
4A82
-
Y1866_STAAM
A:
[1-578]
-------------------------------------------------------
M
I
K
R
Y
L
Q
F
V
K
P
Y
K
Y
-
R
I
F
A
T
I
I
V
G
I
I
K
F
G
I
P
M
L
I
P
L
L
I
K
Y
A
I
D
G
V
I
N
NH
A
L
T
T
---
D
E
K
----------------
V
--
H
H
L
T
I
A
I
G
I
A
L
F
I
F
V
I
V
R
P
P
I
-
E
F
-
I
R
Q
Y
L
A
Q
W
T
S
-
N
K
I
L
Y
D
I
R
K
K
L
----
Y
N
H
L
Q
A
L
----
S
A
R
F
Y
A
N
N
Q
V
G
Q
V
I
S
R
V
I
N
D
V
E
Q
T
K
D
F
I
L
T
G
L
M
N
I
W
L
D
C
I
T
I
I
I
A
L
S
I
M
F
F
-
L
D
V
K
L
T
L
A
A
L
F
I
F
P
F
Y
I
L
T
V
Y
V
F
F
G
R
L
R
K
L
T
R
E
R
S
Q
A
L
A
E
V
Q
G
F
L
H
E
R
V
Q
G
I
S
V
V
K
S
F
A
I
E
D
N
E
A
K
N
F
-
D
-
K
K
N
T
N
F
L
T
R
A
L
K
H
T
R
W
N
A
Y
S
F
A
A
I
N
T
V
T
D
I
G
P
I
I
V
-
I
G
V
G
A
Y
L
A
I
S
G
S
I
T
V
G
T
L
A
A
F
V
G
Y
L
E
L
L
F
G
P
L
R
R
L
V
A
S
---
F
T
T
L
T
Q
S
F
---
A
S
M
D
R
V
F
Q
L
I
D
E
D
Y
--
D
I
K
N
--
G
V
G
-----
A
-----
Q
P
I
E
I
K
Q
G
R
I
D
I
D
H
V
S
--
F
Q
Y
-
N
---
D
N
--
E
--
A
PI
L
K
---
D
I
N
L
S
I
E
K
G
E
T
V
A
F
V
G
M
S
G
G
G
K
S
T
L
I
N
L
I
P
R
F
Y
D
V
T
---
S
G
Q
I
L
I
D
G
H
N
I
K
D
F
L
T
G
S
L
R
N
Q
I
G
L
V
Q
Q
D
N
I
L
F
S
D
T
V
K
E
N
I
L
L
G
-
R
P
-
T
---
A
T
D
E
E
V
V
E
A
A
K
M
A
N
A
H
D
F
---
I
M
N
L
P
Q
G
Y
D
T
E
V
G
E
R
G
V
K
L
S
G
G
Q
K
Q
R
L
S
I
A
R
I
F
L
N
N
P
P
I
L
I
L
D
E
A
T
S
A
L
D
L
E
S
E
S
I
I
Q
E
A
L
---
D
V
L
S
--
K
D
R
T
T
L
I
V
A
H
R
L
S
T
I
T
H
A
D
K
I
V
V
I
E
N
G
H
I
V
E
T
G
T
H
R
E
L
I
A
K
--
Q
G
A
Y
E
H
---
L
Y
S
I
Q
N
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
102
HHSearch
77.79
27%
-92
- C1 -
3ZDQ
6
ABCBA_HUMAN
A:
[5-572]
------------------------------------------------------
P
E
A
R
K
L
L
G
L
A
Y
P
E
R
R
-
R
L
----
A
A
A
V
G
F
L
T
M
S
S
V
I
S
M
S
A
P
F
F
L
G
K
I
I
D
--
V
I
Y
T
---
N
P
T
----------------
V
DY
S
D
N
L
T
R
L
C
L
G
L
S
A
V
F
L
C
G
A
A
A
-
N
A
-
I
R
V
Y
L
M
Q
T
S
G
-
Q
R
I
V
N
R
L
R
T
S
L
----
F
S
S
I
L
R
Q
----
E
V
A
F
F
D
K
T
R
T
G
E
L
I
N
R
L
S
S
D
T
A
L
L
G
R
S
V
T
E
N
L
S
D
G
L
R
A
G
A
Q
-
A
S
V
G
I
S
M
M
F
F
V
S
P
N
L
A
T
F
V
L
S
V
V
P
P
V
S
I
I
A
V
I
Y
G
R
Y
L
R
K
L
T
K
V
T
Q
D
S
L
A
Q
A
T
Q
L
A
E
E
R
I
G
N
V
R
T
V
R
A
F
G
K
E
M
T
E
I
E
K
Y
-
A
-
S
K
V
D
H
V
M
Q
L
A
R
K
E
A
F
A
R
A
G
F
F
G
A
T
G
L
S
G
N
L
I
V
L
S
V
-
L
Y
K
G
G
L
L
M
G
S
A
H
M
T
V
G
E
L
S
S
F
L
M
Y
A
F
W
V
G
I
S
I
G
G
L
S
S
F
---
Y
S
E
L
M
K
G
L
---
G
A
G
G
R
L
W
E
L
L
E
R
E
P
--
K
L
P
F
--
N
E
G
-----
V
I
L
--
N
E
K
S
F
Q
G
A
L
E
F
K
N
V
H
----
F
A
Y
-
P
---
A
R
PE
V
P-
I
--
F
Q
---
D
F
S
L
S
I
P
S
G
S
V
T
A
L
V
G
P
S
G
S
G
K
S
T
V
L
S
L
L
L
R
L
Y
D
P
A
---
S
G
T
I
S
L
D
G
H
D
I
R
Q
L
N
P
V
W
L
R
S
K
I
G
T
V
S
Q
E
P
I
L
F
S
C
S
I
A
E
N
I
A
Y
G
-
A
D
-
D
PSS
V
T
A
E
E
I
Q
R
V
A
E
V
A
N
A
V
A
F
---
I
R
N
F
P
Q
G
F
N
T
V
V
G
E
K
G
V
L
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
L
K
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
N
E
Y
L
V
Q
E
A
L
---
D
R
L
M
--
D
G
R
T
V
L
V
I
A
H
R
L
S
T
I
K
N
A
N
M
V
A
V
L
D
Q
G
K
I
T
E
Y
G
K
H
E
E
L
L
S
K
P------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
77.36
29%
-93
- C1 -
4AYX
7
ABCBA_HUMAN
A:
[17-571]
------------------------------------------------------------------
E
R
R
-
R
L
----
A
A
A
V
G
F
L
T
M
S
S
V
I
S
M
S
A
P
F
F
L
G
K
I
I
D
--
V
I
Y
T
---
N
P
T
----------------
V
--
D
Y
S
D
N
L
T
R
L
C
L
G
L
S
A
V
F
L
C
G
A
-
A
A
N
A
I
R
V
Y
L
M
Q
T
S
G
Q
R
I
V
N
R
L
R
T
S
L
----
F
S
S
I
L
R
Q
----
E
V
A
F
F
D
K
T
R
T
G
E
L
I
N
R
L
S
S
D
T
A
L
L
G
R
S
V
T
E
N
L
S
D
G
L
R
A
G
A
Q
A
S
V
G
I
S
M
M
F
F
-
V
S
P
N
L
A
T
F
V
L
S
V
V
P
P
V
S
I
I
A
V
I
Y
G
R
Y
L
R
K
L
T
K
V
T
Q
D
S
L
A
Q
A
T
Q
L
A
E
E
R
I
G
N
V
R
T
V
R
A
F
G
K
E
M
T
E
I
E
K
Y
A
S
-
K
V
D
H
V
M
Q
L
A
R
K
E
A
F
A
R
A
G
F
F
G
A
T
G
L
--
S
G
N
L
I
V
L
S
V
L
Y
K
G
G
L
L
M
G
S
A
H
M
T
V
G
E
L
S
S
F
L
M
Y
A
---
F
W
V
G
I
S
I
G
G
L
S
S
F
Y
S
E
L
M
K
G
L
---
G
A
G
G
R
L
W
E
L
L
E
R
E
P
--
K
L
----
P
F
N
-----
E
G
V
I
L
N
E
K
S
F
Q
G
A
L
E
F
K
N
V
H
----
F
A
Y
-
P
---
A
R
--
P
--
E
--
V
P
IFQ
D
F
S
L
S
I
P
S
G
S
V
T
A
L
V
G
P
S
G
S
G
K
S
T
V
L
S
L
L
L
R
L
Y
D
P
A
---
S
G
T
I
S
L
D
G
H
D
I
R
Q
L
N
P
V
W
L
R
S
K
I
G
T
V
S
Q
E
P
I
L
F
S
C
S
I
A
E
N
I
A
Y
G
-
A
D
-
D
---
P
S
S
V
T
A
E
E
I
Q
R
V
A
E
V
A
N
A
V
A
F
I
R
N
F
P
Q
G
F
N
T
V
V
G
E
K
G
V
L
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
L
K
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
N
E
Y
L
V
Q
E
A
L
---
D
R
L
M
--
D
G
R
T
V
L
V
I
A
H
R
L
S
T
I
K
N
A
N
M
V
A
V
L
D
Q
G
K
I
T
E
Y
G
K
H
E
E
L
L
S
K
--
P
N
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
76.24
29%
-91
- C1 -
4AYT
8
ABCBA_HUMAN
A:
[17-567]
------------------------------------------------------------------
E
R
R
-
R
L
----
A
A
A
V
G
F
L
T
M
S
S
V
I
S
M
S
A
P
F
F
L
G
K
I
I
D
--
V
I
Y
T
---
N
P
T
----------------
V
--
D
Y
S
D
N
L
T
R
L
C
L
G
L
S
A
V
F
L
C
G
A
-
A
A
N
A
I
R
V
Y
L
M
Q
T
S
G
Q
R
I
V
N
R
L
R
T
S
L
----
F
S
S
I
L
R
Q
----
E
V
A
F
F
D
K
T
R
T
G
E
L
I
N
R
L
S
S
D
T
A
L
L
G
R
S
V
T
E
N
L
S
D
G
L
R
A
G
A
Q
A
S
V
G
I
S
M
M
F
F
-
V
S
P
N
L
A
T
F
V
L
S
V
V
P
P
V
S
I
I
A
V
I
Y
G
R
Y
L
R
K
L
T
K
V
T
Q
D
S
L
A
Q
A
T
Q
L
A
E
E
R
I
G
N
V
R
T
V
R
A
F
G
K
E
M
T
E
I
E
K
Y
A
S
-
K
V
D
H
V
M
Q
L
A
R
K
E
A
F
A
R
A
G
F
F
G
A
T
G
L
--
S
G
N
L
I
V
L
S
V
L
Y
K
G
G
L
L
M
G
S
A
H
M
T
V
G
E
L
S
S
F
L
M
Y
A
---
F
W
V
G
I
S
I
G
G
L
S
S
F
Y
S
E
L
M
K
G
L
---
G
A
G
G
R
L
W
E
L
L
E
R
E
P
--
K
L
----
P
F
N
-----
E
G
V
I
L
N
E
K
S
F
Q
G
A
L
E
F
K
N
V
H
----
F
A
Y
-
P
---
A
R
--
P
--
E
--
V
P
IFQ
D
F
S
L
S
I
P
S
G
S
V
T
A
L
V
G
P
S
G
S
G
K
S
T
V
L
S
L
L
L
R
L
Y
D
P
A
---
S
G
T
I
S
L
D
G
H
D
I
R
Q
L
N
P
V
W
L
R
S
K
I
G
T
V
S
Q
E
P
I
L
F
S
C
S
I
A
E
N
I
A
Y
G
-
A
D
-
D
---
P
S
S
V
T
A
E
E
I
Q
R
V
A
E
V
A
N
A
V
A
F
I
R
N
F
P
Q
G
F
N
T
V
V
G
E
K
G
V
L
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
L
K
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
N
E
Y
L
V
Q
E
A
L
---
D
R
L
M
--
D
G
R
T
V
L
V
I
A
H
R
L
S
T
I
K
N
A
N
M
V
A
V
L
D
Q
G
K
I
T
E
Y
G
K
H
E
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
124
Fugue
76.19
25%
-94
- C1 -
4F4C
3
PGP1_CAEEL
A:
[4-1306]
N
G
S
L
R
Q
S
L
R
T
L
D
S
F
SLA
P
E
D
V
L
K
T
A
I
K
T
V
E
D
Y
EGDNIDSNG
E
I
K
I
TRDEVV
N
K
V
S
I
P
Q
L
Y
R
Y
T
T
T
L
E
K
L
-
L
L
----
F
I
G
T
L
V
A
V
I
T
G
A
G
L
P
L
M
S
I
L
Q
G
K
V
S
Q
--
A
F
I
N
---
E
Q
I
V
I
N
N
N
G
S
T
F
LPTGQNY
T
--
K
T
D
F
E
H
D
V
M
N
V
V
W
S
Y
A
A
M
T
V
G
-
M
W
-
A
A
G
Q
I
T
V
T
C
Y
-
L
Y
V
A
E
Q
M
N
N
R
L
----
R
R
E
F
V
K
S
I
L
R
Q
E
I
S
W
F
D
T
N
H
S
G
T
L
A
T
K
L
F
D
N
L
E
R
V
K
E
-
G
T
G
D
K
I
G
M
A
F
Q
Y
L
S
Q
F
I
T
G
F
I
V
A
F
T
H
S
W
Q
L
T
L
V
M
L
A
V
T
P
I
Q
A
L
C
G
F
A
I
A
K
S
M
S
T
F
A
I
R
E
T
L
R
Y
A
K
A
G
K
V
V
E
E
T
I
S
S
I
R
T
V
V
S
L
N
G
L
R
Y
E
L
E
R
Y
-
S
T
A
V
E
E
A
K
K
A
G
V
L
K
G
L
F
L
G
I
S
F
G
A
M
Q
A
S
N
F
-
I
S
F
A
L
A
-
F
Y
I
G
V
G
W
V
H
D
G
S
L
N
F
G
D
M
L
T
T
F
S
S
V
M
M
G
S
M
A
L
G
L
A
G
P
Q
---
L
A
V
L
G
T
A
Q
---
G
A
A
S
G
I
Y
E
V
L
D
R
K
P
VI
D
S
S
S
--
K
A
G
-----
R
----
K
D
M
K
I
K
G
D
I
T
V
E
N
V
H
----
F
T
Y
-
P
SRP
D
V
--
P
--
I
--
L
R
---
G
M
N
L
R
V
N
A
G
Q
T
V
A
L
V
G
S
S
G
C
G
K
S
T
I
I
S
L
L
L
R
Y
Y
D
V
L
---
K
G
K
I
T
I
D
G
V
D
V
R
D
I
N
L
E
F
L
R
K
N
V
A
V
V
S
Q
E
P
A
L
F
N
C
T
I
E
E
N
I
S
L
G
-
K
E
-
G
---
I
T
R
E
E
M
V
A
A
C
K
M
A
N
A
E
K
F
---
I
K
T
L
P
N
G
Y
N
T
L
V
G
D
R
G
T
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
S
E
G
I
V
Q
Q
A
L
---
D
K
A
A
--
K
G
R
T
T
I
I
I
A
H
R
L
S
T
I
R
N
A
D
L
I
I
S
C
K
N
G
Q
V
V
E
V
G
D
H
R
A
L
M
A
Q
--
Q
G
L
Y
Y
D
---
L
V
T
A
Q
T
F
T
D
A
V
D
S
A
A
E
GER
I
G
K
D
A
L
S
R
L
K
Q
E
L
E
ENNAQKTN
L
F
E
I
L
Y
H
A
RPH
A
L
S
L
F
I
G
M
S
T
A
T
I
G
G
F
I
Y
P
T
Y
S
V
F
F
T
S
F
M
N
V
F
AGNPADFL
S
Q
G
H
F
W
A
L
M
F
L
V
L
A
A
A
Q
G
I
C
S
F
L
M
T
F
F
M
G
I
A
S
E
S
L
T
R
D
L
R
N
K
L
F
R
N
V
L
S
QHIGFFDSPQNA
S
G
K
I
S
T
R
L
A
T
D
V
P
N
L
R
T
A
I
D
F
R
F
S
T
V
I
T
T
L
V
S
M
V
A
G
I
G
L
A
F
F
Y
G
W
Q
M
A
L
L
I
I
A
I
L
P
I
V
A
F
G
Q
Y
L
R
G
RRFTGKNVKSA
S
E
F
A
D
S
G
K
I
A
I
E
A
I
E
N
V
R
T
V
Q
A
L
AR
E
D
T
F
Y
E
N
F
C
E
K
L
D
I
P
H
K
E
A
I
K
E
A
F
I
Q
G
L
S
Y
G
C
A
S
S
V
L
Y
L
L
N
T
C
A
Y
R
M
G
L
A
L
I
I
TDPPTMQ
P
M
R
V
L
R
V
M
Y
A
I
T
I
S
T
S
TLGFAT
S
Y
F
P
E
Y
A
K
A
T
F
A
G
G
I
I
F
G
M
L
R
KISKIDSLSLAGEKKKLYGK
V
I
F
K
N
V
R
F
A
Y
PERPEIEILK
G
L
S
F
S
V
E
PG
Q
T
L
A
L
V
G
P
S
GCGKST
V
V
A
L
L
E
RFYDTL
G
G
E
I
F
I
DGSEIKTLN
P
E
H
T
R
S
Q
I
A
I
V
S
Q
E
P
T
L
F
DCS
I
A
E
N
I
I
YGLDPSSVT
M
A
Q
V
E
E
A
A
R
L
A
NI
H
N
F
I
A
E
LPEGFETRVGDRGTQLS
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
NPK
I
L
L
L
D
EATSALDT
E
S
E
K
V
V
Q
E
A
L
D
R
A
R
EG
R
T
C
I
V
I
A
HRLNTVMNAD
C
I
A
V
V
S
NGTII
E
K
G
T
H
T
Q
L
M
S
E
K
15
PsiBlast_PDB
75.98
29%
-92
- C1 -
3ZDQ
6
ABCBA_HUMAN
A:
[17-571]
------------------------------------------------------------------
E
R
R
-
R
L
----
A
A
A
V
G
F
L
T
M
S
S
V
I
S
M
S
A
P
F
F
L
G
K
I
I
D
--
V
I
Y
T
---
N
P
T
----------------
V
--
D
Y
S
D
N
L
T
R
L
C
L
G
L
S
A
V
F
L
C
G
A
-
A
A
N
A
I
R
V
Y
L
M
Q
T
S
G
Q
R
I
V
N
R
L
R
T
S
L
----
F
S
S
I
L
R
Q
----
E
V
A
F
F
D
K
T
R
T
G
E
L
I
N
R
L
S
S
D
T
A
L
L
G
R
S
V
T
E
N
L
S
D
G
L
R
A
G
A
Q
A
S
V
G
I
S
M
M
F
F
-
V
S
P
N
L
A
T
F
V
L
S
V
V
P
P
V
S
I
I
A
V
I
Y
G
R
Y
L
R
K
L
T
K
V
T
Q
D
S
L
A
Q
A
T
Q
L
A
E
E
R
I
G
N
V
R
T
V
R
A
F
G
K
E
M
T
E
I
E
K
Y
A
S
-
K
V
D
H
V
M
Q
L
A
R
K
E
A
F
A
R
A
G
F
F
G
A
T
G
L
--
S
G
N
L
I
V
L
S
V
L
Y
K
G
G
L
L
M
G
S
A
H
M
T
V
G
E
L
S
S
F
L
M
Y
A
---
F
W
V
G
I
S
I
G
G
L
S
S
F
Y
S
E
L
M
K
G
L
---
G
A
G
G
R
L
W
E
L
L
E
R
E
P
--
K
L
----
P
F
N
-----
E
G
V
I
L
N
E
K
S
F
Q
G
A
L
E
F
K
N
V
H
----
F
A
Y
-
P
---
A
R
--
P
--
E
--
V
P
IFQ
D
F
S
L
S
I
P
S
G
S
V
T
A
L
V
G
P
S
G
S
G
K
S
T
V
L
S
L
L
L
R
L
Y
D
P
A
---
S
G
T
I
S
L
D
G
H
D
I
R
Q
L
N
P
V
W
L
R
S
K
I
G
T
V
S
Q
E
P
I
L
F
S
C
S
I
A
E
N
I
A
Y
G
-
A
D
-
D
---
P
S
S
V
T
A
E
E
I
Q
R
V
A
E
V
A
N
A
V
A
F
I
R
N
F
P
Q
G
F
N
T
V
V
G
E
K
G
V
L
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
L
K
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
N
E
Y
L
V
Q
E
A
L
---
D
R
L
M
--
D
G
R
T
V
L
V
I
A
H
R
L
S
T
I
K
N
A
N
M
V
A
V
L
D
Q
G
K
I
T
E
Y
G
K
H
E
E
L
L
S
K
--
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
75.96
29%
-95
- C1 -
4AYW
3
ABCBA_HUMAN
A:
[48-598]
------------------------------------------------------------------
E
R
R
-
R
L
----
A
A
A
V
G
F
L
T
M
S
S
V
I
S
M
S
A
P
F
F
L
G
K
I
I
D
--
V
I
Y
T
---
N
P
T
----------------
V
--
D
Y
S
D
N
L
T
R
L
C
L
G
L
S
A
V
F
L
C
G
A
-
A
A
N
A
I
R
V
Y
L
M
Q
T
S
G
Q
R
I
V
N
R
L
R
T
S
L
----
F
S
S
I
L
R
Q
----
E
V
A
F
F
D
K
T
R
T
G
E
L
I
N
R
L
S
S
D
T
A
L
L
G
R
S
V
T
E
N
L
S
D
G
L
R
A
G
A
Q
A
S
V
G
I
S
M
M
F
F
-
V
S
P
N
L
A
T
F
V
L
S
V
V
P
P
V
S
I
I
A
V
I
Y
G
R
Y
L
R
K
L
T
K
V
T
Q
D
S
L
A
Q
A
T
Q
L
A
E
E
R
I
G
N
V
R
T
V
R
A
F
G
K
E
M
T
E
I
E
K
Y
A
S
-
K
V
D
H
V
M
Q
L
A
R
K
E
A
F
A
R
A
G
F
F
G
A
T
G
L
--
S
G
N
L
I
V
L
S
V
L
Y
K
G
G
L
L
M
G
S
A
H
M
T
V
G
E
L
S
S
F
L
M
Y
A
---
F
W
V
G
I
S
I
G
G
L
S
S
F
Y
S
E
L
M
K
G
L
---
G
A
G
G
R
L
W
E
L
L
E
R
E
P
--
K
L
----
P
F
N
-----
E
G
V
I
L
N
E
K
S
F
Q
G
A
L
E
F
K
N
V
H
----
F
A
Y
-
P
---
A
R
--
P
--
E
--
V
P
IFQ
D
F
S
L
S
I
P
S
G
S
V
T
A
L
V
G
P
S
G
S
G
K
S
T
V
L
S
L
L
L
R
L
Y
D
P
A
---
S
G
T
I
S
L
D
G
H
D
I
R
Q
L
N
P
V
W
L
R
S
K
I
G
T
V
S
Q
E
P
I
L
F
S
C
S
I
A
E
N
I
A
Y
G
-
A
D
-
D
---
P
S
S
V
T
A
E
E
I
Q
R
V
A
E
V
A
N
A
V
A
F
I
R
N
F
P
Q
G
F
N
T
V
V
G
E
K
G
V
L
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
L
K
N
P
K
I
L
L
L
D
E
----
L
D
A
E
N
E
Y
L
V
Q
E
A
L
---
D
R
L
M
--
D
G
R
T
V
L
V
I
A
H
H
L
S
T
I
K
N
A
N
M
V
A
V
L
D
Q
G
K
I
T
E
Y
G
K
H
E
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
73.44
29%
-96
- C1 -
4RY2
-
?
A:
[250-717]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
S
H
V
L
K
L
----
P
M
N
F
F
N
S
R
K
V
G
E
I
I
S
R
F
M
-
D
A
S
K
I
R
Q
A
I
S
G
A
T
L
T
I
M
I
D
T
I
M
A
V
I
G
G
I
L
L
Y
I
Q
N
S
-
S
L
F
F
I
S
F
I
I
I
L
L
Y
G
I
I
V
T
V
F
N
K
P
I
Q
N
A
N
R
Q
I
M
E
D
N
A
K
L
T
S
A
L
V
E
S
V
K
G
I
E
T
I
K
S
F
G
A
E
E
Q
T
E
K
S
T
-
R
-
D
K
I
E
T
V
M
K
S
S
F
K
E
G
M
L
Y
I
N
L
S
S
L
T
G
I
V
A
G
L
G
G
I
V
I
-
L
W
A
G
A
Y
N
V
I
K
G
N
M
S
G
G
Q
L
L
A
F
N
A
L
L
A
Y
F
L
T
P
V
K
N
L
I
D
L
---
Q
P
L
I
Q
T
A
V
---
V
A
S
N
R
L
G
E
I
L
E
L
A
T
--
E
K
E
L
-------------------------
G
D
I
E
F
R
N
V
D
F
R
Y
-
G
L--
R
K
--
P
--
V
--
L
K
---
N
I
N
L
T
I
P
K
G
K
T
V
A
I
V
G
E
S
G
S
G
K
T
T
L
A
K
L
L
M
N
F
Y
S
P
E
---
K
G
D
I
L
I
N
G
H
S
I
K
N
I
S
L
E
L
I
R
K
K
I
A
F
V
S
Q
D
V
F
I
F
S
G
T
V
K
E
N
L
C
L
G
-
N
E
-
N
---
V
D
M
D
E
I
I
K
A
A
K
M
A
N
A
H
D
F
---
I
E
K
L
P
L
K
Y
D
T
F
L
N
E
S
G
A
N
L
S
E
G
Q
K
Q
R
L
A
I
A
R
A
L
L
K
K
P
D
I
L
I
L
D
E
A
T
S
N
L
D
S
I
T
E
N
H
I
K
D
A
I
---
Y
G
L
E
--
D
D
V
T
V
I
I
I
A
H
R
L
S
T
I
V
N
C
D
K
I
Y
L
L
K
D
G
E
I
V
E
S
G
S
H
T
E
L
I
A
L
--
K
G
C
Y
F
K
---
M
W
K
Q
T
E
N
T
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
59.65
39%
-77
- C1 -
3NHB
3
A:
[14-292]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
V
P
R
G
S
HMF
I
D
M
E
N
M
F
D
L
L
K
E
E
T
--
E
V
K
D
L
P
G
A
G
-----
P
----
L
R
-
F
Q
K
G
R
I
E
F
E
N
V
H
----
F
S
Y
A
D
----
R
--
E
--
T
--
L
Q
---
D
V
S
F
T
V
M
P
G
Q
T
L
A
L
V
G
P
S
G
A
G
K
S
T
I
L
R
L
L
F
R
F
Y
D
I
S
---
S
G
C
I
R
I
D
G
Q
D
I
S
Q
V
T
Q
A
S
L
R
S
H
I
G
V
V
P
Q
D
T
V
L
F
N
D
T
I
A
D
N
I
R
Y
G
-
R
V
-
T
---
A
G
N
D
E
V
E
A
A
A
Q
A
A
G
I
H
D
A
---
I
M
A
F
P
E
G
Y
R
T
Q
V
G
E
R
G
L
K
L
S
G
G
E
K
Q
R
V
A
I
A
R
T
I
L
K
A
P
G
I
I
L
L
D
E
A
T
S
A
L
D
T
S
N
E
R
A
I
Q
A
S
L
---
A
K
V
C
--
A
N
R
T
T
I
V
V
A
H
R
L
S
T
V
V
N
A
D
Q
I
L
V
I
K
D
G
C
I
V
E
R
G
R
H
E
A
L
L
S
R
--
G
G
V
Y
A
D
---
M
W
Q
L
Q
Q
G
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
59.45
39%
-79
- C1 -
3NH6
2
A:
[19-292]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
HMF
I
D
M
E
N
M
F
D
L
L
K
E
E
T
--
E
V
K
D
LP
G
A
G
-----
P
----
L
R
-
F
Q
K
G
R
I
E
F
E
N
V
H
----
F
S
Y
A
D
---
G
R
--
E
--
T
--
L
Q
---
D
V
S
F
T
V
M
P
G
Q
T
L
A
L
V
G
P
S
G
A
G
K
S
T
I
L
R
L
L
F
R
F
Y
D
I
S
---
S
G
C
I
R
I
D
G
Q
D
I
S
Q
V
T
Q
A
S
L
R
S
H
I
G
V
V
P
Q
D
T
V
L
F
N
D
T
I
A
D
N
I
R
Y
G
-
R
V
-
T
---
A
G
N
D
E
V
E
A
A
A
Q
A
A
G
I
H
D
A
---
I
M
A
F
P
E
G
Y
R
T
Q
V
G
E
R
G
L
K
L
S
G
G
E
K
Q
R
V
A
I
A
R
T
I
L
K
A
P
G
I
I
L
L
D
E
A
T
S
A
L
D
T
S
N
E
R
A
I
Q
A
S
L
---
A
K
V
C
--
A
N
R
T
T
I
V
V
A
H
R
L
S
T
V
V
N
A
D
Q
I
L
V
I
K
D
G
C
I
V
E
R
G
R
H
E
A
L
L
S
R
--
G
G
V
Y
A
D
---
M
W
Q
L
Q
Q
G
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
59.14
39%
-78
- C1 -
3NHA
4
A:
[14-292]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
V
P
R
G
S
HMF
I
D
M
E
N
M
F
D
L
L
K
E
E
T
--
E
V
K
D
LP
G
A
G
-----
P
----
L
R
-
F
Q
K
G
R
I
E
F
E
N
V
H
----
F
S
Y
A
D
----
R
--
E
--
T
--
L
Q
---
D
V
S
F
T
V
M
P
G
Q
T
L
A
L
V
G
P
S
G
A
G
K
S
T
I
L
R
L
L
F
R
F
Y
D
I
S
---
S
G
C
I
R
I
D
G
Q
D
I
S
Q
V
T
Q
A
S
L
R
S
H
I
G
V
V
P
Q
D
T
V
L
F
N
D
T
I
A
D
N
I
R
Y
G
-
R
V
-
T
---
A
G
N
D
E
V
E
A
A
A
Q
A
A
G
I
H
D
A
---
I
M
A
F
P
E
G
Y
R
T
Q
V
G
E
R
G
L
K
L
S
G
G
E
K
Q
R
V
A
I
A
R
T
I
L
K
A
P
G
I
I
L
L
D
E
A
T
S
A
L
D
T
S
N
E
R
A
I
Q
A
S
L
---
A
K
V
C
--
A
N
R
T
T
I
V
V
A
H
R
L
S
T
V
V
N
A
D
Q
I
L
V
I
K
D
G
C
I
V
E
R
G
R
H
E
A
L
L
S
R
--
G
G
V
Y
A
D
---
M
W
Q
L
Q
Q
G
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
57.56
39%
-76
- C1 -
3NH9
3
A:
[20-292]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HMF
I
D
M
E
N
M
F
D
L
L
K
E
E
T
--
E
V
K
D
L
P
G
A
G
-----
P
----
L
R
-
F
Q
K
G
R
I
E
F
E
N
V
H
----
F
S
Y
A
D
---
G
R
--
E
--
T
--
L
Q
---
D
V
S
F
T
V
M
P
G
Q
T
L
A
L
V
G
P
S
G
A
G
K
S
T
I
L
R
L
L
F
R
F
Y
D
I
S
---
S
G
C
I
R
I
D
G
Q
D
I
S
Q
V
T
Q
A
S
L
R
S
H
I
G
V
V
P
Q
D
T
V
L
F
N
D
T
I
A
D
N
I
R
Y
G
-
R
V
-
T
---
A
G
N
D
E
V
E
A
A
A
Q
A
A
G
I
H
D
A
---
I
M
A
F
P
E
G
Y
R
T
Q
V
G
E
R
G
L
K
L
S
G
G
E
K
Q
R
V
A
I
A
R
T
I
L
K
A
P
G
I
I
L
L
D
E
A
T
S
A
L
D
T
S
N
E
R
A
I
Q
A
S
L
---
A
K
V
C
--
A
N
R
T
T
I
V
V
A
H
R
L
S
T
V
V
N
A
D
Q
I
L
V
I
K
D
G
C
I
V
E
R
G
R
H
E
A
L
L
S
R
--
G
G
V
Y
A
D
---
M
W
Q
L
Q
Q
G
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
104
HHSearch
56.99
38%
-75
- C1 -
3NH6
2
A:
[19-292]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
H
M
F
---
I
D
M
E
N
M
F
D
L
L
K
E
E
T
--
E
V
K
D
--
L
P
G
A----
G
----
P
L
R
F
Q
K
G
R
I
E
F
E
N
V
H
----
F
S
Y
-
A
---
D
G
--
R
E-
T
--
L
Q
---
D
V
S
F
T
V
M
P
G
Q
T
L
A
L
V
G
P
S
G
A
G
K
S
T
I
L
R
L
L
F
R
F
Y
D
I
S
---
S
G
C
I
R
I
D
G
Q
D
I
S
Q
V
T
Q
A
S
L
R
S
H
I
G
V
V
P
Q
D
T
V
L
F
N
D
T
I
A
D
N
I
R
Y
G
-
R
V
-
T
---
A
G
N
D
E
V
E
A
A
A
Q
A
A
G
I
H
D
A
---
I
M
A
F
P
E
G
Y
R
T
Q
V
G
E
R
G
L
K
L
S
G
G
E
K
Q
R
V
A
I
A
R
T
I
L
K
A
P
G
I
I
L
L
D
E
A
T
S
A
L
D
T
S
N
E
R
A
I
Q
A
S
L
---
A
K
V
C
--
A
N
R
T
T
I
V
V
A
H
R
L
S
T
V
V
N
A
D
Q
I
L
V
I
K
D
G
C
I
V
E
R
G
R
H
E
A
L
L
S
R
--
G
G
V
Y
A
D
---
M
W
Q
L
Q
Q
G
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
106
HHSearch
56.46
35%
-84
* C1 *
3VX4
3
?
A:
[29-267]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
F
L
D
G
D
I
S
F
E
N
L
S
----
Y
K
Y
-
G
---
F
G
--
R
D-
T
--
L
S
---
D
I
N
L
S
I
K
K
G
S
K
V
S
L
V
G
A
S
G
S
G
K
T
T
L
A
K
L
I
V
N
F
Y
E
P
N
---
K
G
I
V
R
I
N
G
N
D
L
K
V
I
D
K
T
A
L
R
R
H
I
S
Y
L
P
Q
Q
A
Y
V
F
S
G
S
I
M
D
N
L
V
L
G
-
A
K
-
E
G--
T
S
Q
E
D
I
I
R
A
C
E
I
A
E
I
R
S
D
---
I
E
Q
M
P
Q
G
Y
Q
T
E
L
S
D
-
G
A
G
I
S
G
G
Q
K
Q
R
I
A
L
A
R
A
L
L
T
Q
A
P
V
L
I
L
D
A
A
T
S
S
L
D
I
L
T
E
K
K
I
I
S
N
L
---
L
Q
M
---
T
E
K
T
I
I
F
V
A
H
R
L
S
I
S
Q
R
T
D
E
V
I
V
M
D
Q
G
K
I
V
E
Q
G
T
H
K
E
L
L
A
K
--
Q
G
F
Y
Y
N
---
L
F
N
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
PsiBlast_CBE
55.30
35%
-83
- C1 -
3VX4
3
?
A:
[29-262]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
F
L
D
G
D
I
S
F
E
N
L
S
----
Y
K
Y
-
G
F--
G
R
--
D
--
T
--
L
S
---
D
I
N
L
S
I
K
K
G
S
K
V
S
L
V
G
A
S
G
S
G
K
T
T
L
A
K
L
I
V
N
F
Y
E
P
N
---
K
G
I
V
R
I
N
G
N
D
L
K
V
I
D
K
T
A
L
R
R
H
I
S
Y
L
P
Q
Q
A
Y
V
F
S
G
S
I
M
D
N
L
V
L
G
A
K
E
-
G
---
T
S
Q
E
D
I
I
R
A
C
E
I
A
E
I
R
S
D
---
I
E
Q
M
P
Q
G
Y
Q
T
E
L
S
D
-
G
A
G
I
S
G
G
Q
K
Q
R
I
A
L
A
R
A
L
L
T
Q
A
P
V
L
I
L
D
A
A
T
S
S
L
D
I
L
T
E
K
K
I
I
S
N
L
---
L
Q
M
T
--
E
-
K
T
I
I
F
V
A
H
R
L
S
I
S
Q
R
T
D
E
V
I
V
M
D
Q
G
K
I
V
E
Q
G
T
H
K
E
L
L
A
K
--
Q
G
F
Y
Y
N
---
L
F
N
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
PsiBlast_CBE
55.03
35%
-81
- C1 -
3VX4
3
?
D:
[28-262]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
S
F
L
D
G
D
I
S
F
E
N
L
S
----
Y
K
Y
-
G
F--
G
R
--
D
--
T
--
L
S
---
D
I
N
L
S
I
K
K
G
S
K
V
S
L
V
G
A
S
G
S
G
K
T
T
L
A
K
L
I
V
N
F
Y
E
P
N
---
K
G
I
V
R
I
N
G
N
D
L
K
V
I
D
K
T
A
L
R
R
H
I
S
Y
L
P
Q
Q
A
Y
V
F
S
G
S
I
M
D
N
L
V
L
G
A
K
E
-
G
---
T
S
Q
E
D
I
I
R
A
C
E
I
A
E
I
R
S
D
---
I
E
Q
M
P
Q
G
Y
Q
T
E
L
S
D
-
G
A
G
I
S
G
G
Q
K
Q
R
I
A
L
A
R
A
L
L
T
Q
A
P
V
L
I
L
D
A
A
T
S
S
L
D
I
L
T
E
K
K
I
I
S
N
L
---
L
Q
M
T
--
E
-
K
T
I
I
F
V
A
H
R
L
S
I
S
Q
R
T
D
E
V
I
V
M
D
Q
G
K
I
V
E
Q
G
T
H
K
E
L
L
A
K
--
Q
G
F
Y
Y
N
---
L
F
N
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
62
PsiBlast_CBE
49.68
37%
-73
- C1 -
2CBZ
2
A:
[17-231]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
P
--
P
--
T
--
L
N
---
G
I
T
F
S
I
P
E
G
A
L
V
A
V
V
G
Q
V
G
C
G
K
S
S
L
L
S
A
L
L
A
E
M
D
K
V
---
E
G
H
V
A
I
-------------
K
G
S
V
A
Y
V
P
Q
Q
A
W
I
Q
N
D
S
L
R
E
N
I
L
F
G
-
C
--
Q
---
L
E
E
P
Y
Y
R
S
V
I
Q
A
C
A
L
L
P
D
---
L
E
I
L
P
S
G
D
R
T
E
I
G
E
K
G
V
N
L
S
G
G
Q
K
Q
R
V
S
L
A
R
A
V
Y
S
N
A
D
I
Y
L
F
D
D
P
L
S
A
V
D
A
H
V
G
K
H
I
F
E
N
V
IGP
K
G
M
L
--
K
N
K
T
R
I
L
V
T
H
S
M
S
Y
L
P
Q
V
D
V
I
I
V
M
S
G
G
K
I
S
E
M
G
S
Y
Q
E
L
L
A
R
--
D
G
A
F
A
E
F
L
R
T
Y
A
S
H
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------