@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 : Lmo2039: (2016-03-31 )
MKRRIGNMRRGALVLFIFFTILFLLVSGRFLYLQITGEANGVPLAAKASKQHLKSSVLEAKRGSILDRKGEVLAEDTASYTVAAVVSDKLSKTTKNPMRVVDEEKTARILAKYIPMDESDILDKLHEKGKYQVEFGAAGKNISTETKAKIDKENLPGIEFTRQSERFYPNGTFATQLIGFAQQEEEKNATVLEGKMGIESRYNDILTGKNGKIDYSTDRMGYILPNSKNKVTEAKDGKDITLTLDKKIQTFLEDTMTTVDAKYKPKNMMAVVADPKTGEILAISQRPSFNPADRSTITGNSSSIWQDLPVEYAYEPGSVMKIISLASAIDTNAYNANEYYQSGSYKVGDIAIHDHNNGNGWGSITYREGVERSSNVAFAKLLNKMGTDTFKTYLDKFGFGKKTGIALPNETSGKILYNYPIEKVTTVFGQGTTVSMMQMIQAASAIASDGTMKEPYVVSSVKDPNTGEETDTKTKIAGKPISAETAKKTRDELKNVISGEHGTGKLYAIPGYDVAGKTGTSQIPDPKTGKYMTGADNYIFSFLGMAPADNPELVIYVTMQQPQLSGSQTGGEAVSEVFNPVMKNSLQYMNIKPGDAEKLASEKVPVLAGKKVDEAKKIVKDKGLEPIVVGNGKKIVQQLPQANAEIMQGQKVILMTDGDMTAPDMVTWSKDDALKVSEITGIPFEFSGNGYVKSQSVSAGSVINSETKMKITLAPPEEISAFNQNHDQDTAEKNKKATDIQENAGIGDLLN
Atome Classification :
(21 SA)
.........10........20........30........40........50........60........70........80........90........100..--.....110.......120.....----------------------------------------------------------.----.--130......-.140.......150-..----......160.......170.......180-.....--------------.-.190.......200.......210.......220.......230.-......240.......250.......260..------.....270.......280.......290.......300.......310.......320.......330.......340.--.......-.350...--...---.360-.........370........380....-----------------...390.......400.......410......--.---420........430.......440.......450.......460.....-..470.......-----480.......490......--.---------500------...------..-.-.-.-.510.......520.......530.......540.......550.......560.-......570.......580-----.......---.590.......600.----......610---.......620.......630.......640.......650...-....660.......670.......680......-.690........700.......710.......720.......730.......740.......750
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MKRRIGNMRR
G
A
L
V
L
F
I
F
F
T
I
L
F
L
L
VSG
R
F
L
Y
L
Q
I
TGEANG
V
P
L
A
A
K
A
S
K
Q
H
L
K
S
S
V
L
E
A
KRGSILDRKGE
V
L
AEDTA
S
Y
T
V
A
A
V
V
S
D
K
L
S
KTTKNP
M
R
VV
D
E
E
--
K
T
A
R
I
L
A
K
YIPM
D
E
S
D
I
L
D
K
L
H
E----------------------------------------------------------K----G--
K
Y
Q
V
E
FGAA-GKNIST
E
T
KAKID--KE----NLPGI
E
F
TRQSERFYPNG
T
F
A
T
Q
L
I
G
F
A
Q
-
Q
E
EEK--------------N-
A
T
V
LEGKMG
I
E
S
R
Y
N
D
ILTGKNG
K
I
D
YSTD
R
M
G
Y
ILPNSKNKVTE-AKDG
K
D
I
T
L
T
L
D
K
K
I
Q
T
F
L
E
D
T
M
T
TVDAKYK------PK
N
M
M
A
V
V
ADPKTG
E
I
L
A
I
SQRPSFNPADRSTITGNS
S
S
I
W
QDLP
V
E
Y
AYEPG
S
V
M
K
I
I
S
L
A
S
A
IDTNAYN
A
N
E
Y
Y--Q--SGS
Y
K
V
G
-
D
I
A
I
H
DH--NNG---NG---W
G
S
I
T
YREGVE-RSSN
V
A
F
A
K
L
L
N
KMG-----------------
T
D
T
F
K
T
Y
L
D
KFGFGKKTGIALPNETS
G
K
I
L
Y
N--Y---P-
I
E
K
V
T
T
V
FGQG
T
T
V
S
M
M
Q
M
I
Q
A
A
S
A
IASDGTMKE
P
Y
V
V
SSVKDPNTG-EETDTKTKIAGK-----PI
S
A
E
T
A
K
K
T
R
D
E
L
K
N
V
IS--G---------E--------HGT------
G
K
-
L
-
Y
-
A
-IPGYDVAGKTGTSQIPDPKTG
K
Y
MTG
A
D
N
Y
I
F
S
F
LGMAPADNP
E
L
V
I
Y
V
T
MQQPQ-LSGSQT
G
G
E
A
V
S
E
V
F
N
P
V
------
M
K
NS
L
Q
Y
---
M
NIKPG
D
A
E
K
L
ASEK----VPVLAGK
K
V
---
D
E
A
K
K
I
V
K
DKGL
E
P
I
V
VGN
G
K
K
I
V
Q
Q
L
P
QAN
A
E
IMQG
Q
K
V
I
L
M
-TDGDMTAPD
M
V
TWSKDD
A
L
K
V
S
EITG
I
P
F
E
FSG-N
G
-
Y
V
K
SQSVSAGSVINSE
T
K
M
K
I
T
LA
P
P
E
E
I
S
A
FNQNHDQ
D
T
A
EKNKKATDIQENAGIGDLLN
1
PsiBlast_PDB
92.47
36%
-38
- C1 -
1RP5
1
PBPX_STRPN
A:
[16-700]
-------------------------------------------------
K
V
H
Q
T
T
R
T
V
P
A
K
R
G
T
I
Y
D
R
N
G
V
P
I
A
E
D
A
T
S
Y
N
V
Y
A
V
I
D
E
N
Y
K
S
A
T
G
K
I
L
Y
V
E
K
T
Q
F
N
K
V
A
E
V
F
H
K
Y
L
D
M
E
E
S
Y
V
R
E
Q
L
S
Q
----------------------------------------------------------
P
----
N
--
L
K
Q
V
S
F
G
A
K
-
G
N
G
I
T
Y
A
N
M
M
S
I
K
--
K
E
L
E
T
A
E
V
K
G
I
D
F
T
T
S
P
N
R
S
Y
P
N
G
Q
F
A
S
S
F
I
G
L
A
Q
L
H
E
N
E
D
--------------
G
-
S
K
S
L
L
G
T
S
G
M
E
S
S
L
N
S
I
L
A
G
T
D
G
I
I
T
Y
E
K
D
R
L
G
N
I
V
P
G
T
E
Q
V
S
Q
Q
-
T
V
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
------
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
--
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
--
S
S
E
L
K
I
A
-
D
A
T
I
R
D
W
D
V
N
E
G
L--
T
G
---
G
R
M
M
T
F
S
Q
G
F
A
-
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
G
-----------------
D
A
T
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
--
N
---
I
-
V
N
I
A
M
S
A
F
G
Q
G
I
S
V
T
Q
T
Q
M
L
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
L
Y
D
P
N
D
Q
-
S
V
R
K
S
Q
K
E
I
V
G
N
-----
P
V
S
K
E
A
A
S
V
T
R
D
H
M
--
V
M
V
--
G
TDPTYGTMY
N
--------
H
S
T
------
G
K
-
A
-
T
-
V
N
V
P
G
Q
N
V
A
L
K
S
G
T
A
E
I
A
D
E
K
N
G
G
Y
L
T
G
S
T
N
N
I
F
S
V
V
S
M
H
P
A
E
N
P
D
F
I
L
Y
V
T
V
Q
Q
P
E
H
Y
S
G
I
Q
L
G
-----
E
F
A
N
P
I
L
E
R
A
S
A
M
K
E
S
L
N
L
---
Q
T
T
A
K
A
L
E
Q
V
S
Q
Q
S
P
----
Y
P
M
P
S
V
K
D
I
S
P
G
D
L
A
E
E
L
R
R
N
L
-
V
Q
P
I
V
V
G
T
G
T
K
I
K
N
S
S
A
E
E
G
K
N
L
A
P
N
Q
Q
V
L
I
L
-
S
D
K
A
E
E
V
P
D
M
Y
G
W
T
K
E
T
A
E
T
F
A
K
W
L
N
I
E
L
E
F
E
G
-
S
G
S
T
V
Q
K
Q
D
V
R
A
N
T
A
I
K
D
I
K
K
I
K
L
T
L
--------------------------------------
21
PsiBlast_CBE
92.41
36%
-38
- C2 -
1RP5
1
PBPX_STRPN
B:
[16-700]
-------------------------------------------------
K
V
H
Q
T
T
R
T
V
P
A
K
R
G
T
I
Y
D
R
N
G
V
P
I
A
E
D
A
T
S
Y
N
V
Y
A
V
I
D
E
N
Y
K
S
A
T
G
K
I
L
Y
V
E
K
T
Q
F
N
K
V
A
E
V
F
H
K
Y
L
D
M
E
E
S
Y
V
R
E
Q
L
S
Q
----------------------------------------------------------
P
----
N
--
L
K
Q
V
S
F
G
A
K
-
G
N
G
I
T
Y
A
N
M
M
S
I
K
--
K
E
L
E
T
A
E
V
K
G
I
D
F
T
T
S
P
N
R
S
Y
P
N
G
Q
F
A
S
S
F
I
G
L
A
Q
L
H
E
N
E
D
--------------
G
-
S
K
S
L
L
G
T
S
G
M
E
S
S
L
N
S
I
L
A
G
T
D
G
I
I
T
Y
E
K
D
R
L
G
N
I
V
P
G
T
E
Q
V
S
Q
Q
-
T
V
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
------
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
--
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
--
S
S
E
L
K
I
A
-
D
A
T
I
R
D
W
DV------------
R
M
M
T
F
S
Q
G
F
A
-
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
G
-----------------
D
A
T
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
--
N
---
I
-
V
N
I
A
M
S
A
F
G
Q
G
I
S
V
T
Q
T
Q
M
L
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
L
Y
D
P
N
D
Q
-
S
V
R
K
S
Q
K
E
I
V
G
N
-----
P
V
S
K
E
A
A
S
V
T
R
D
H
M
--
V
M
V
--
G
TDPTYGTMY
N
--------
H
S
T
------
G
K
-
A
-
T
-
V
N
V
P
G
Q
N
V
A
L
K
S
G
T
A
E
I
A
D
E
K
N
G
G
Y
L
T
G
S
T
N
N
I
F
S
V
V
S
M
H
P
A
E
N
P
D
F
I
L
Y
V
T
V
Q
Q
P
E
H
Y
S
G
I
Q
L
G
-----
E
F
A
N
P
I
L
E
R
A
S
A
M
K
E
S
L
N
L
---
Q
T
T
A
K
A
L
E
Q
V
S
Q
Q
S
P
----
Y
P
M
P
S
V
K
D
I
S
P
G
D
L
A
E
E
L
R
R
N
L
-
V
Q
P
I
V
V
G
T
G
T
K
I
K
N
S
S
A
E
E
G
K
N
L
A
P
N
Q
Q
V
L
I
L
-
S
D
K
A
E
E
V
P
D
M
Y
G
W
T
K
E
T
A
E
T
F
A
K
W
L
N
I
E
L
E
F
E
G
-
S
G
S
T
V
Q
K
Q
D
V
R
A
N
T
A
I
K
D
I
K
K
I
K
L
T
L
--------------------------------------
3
PsiBlast_PDB
88.61
36%
-41
- C1 -
1PYY
3
PBPX_STRR6
A:
[25-700]
----------------------------------------------------------
P
A
K
R
G
T
I
Y
D
R
N
G
V
P
I
A
E
D
A
T
S
Y
N
V
Y
A
--------------------N-
K
V
A
E
V
F
H
K
Y
L
D
M
E
E
S
Y
V
R
E
Q
L
-----------------------------------------------------------------------
V
S
F
G
A
K
-
G
N
G
I
T
Y
A
N
M
M
S
--------------------
P
N
R
S
Y
P
N
G
Q
F
A
S
S
F
I
G
L
A
Q
L
H
E
N
E
D
--------------
G
-
S
K
S
L
L
G
T
S
G
M
E
S
S
L
N
S
I
L
A
G
T
D
--------------------------
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
------
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
--
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
A
F
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
--
S
S
E
L
K
I
A
-
D
A
T
I
R
D
W
D
V
N
E
G
L--
T
G
---
G
R
M
M
T
F
S
Q
G
F
A
-
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
G
-----------------
D
A
T
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
--
N
---
I
-
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
-
T
A
R
K
S
Q
K
E
I
V
G
N
-----
P
V
S
K
D
A
A
S
L
T
R
T
N
M
--
V
L
V
--
G
TDPVYGTMY
N
--------
H
S
T
------
G
K
P
T
-
V
-
T
-
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
E
K
N
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
V
T
V
Q
Q
P
E
H
Y
S
G
I
Q
L
G
-----
E
F
A
N
P
I
L
E
R
A
S
A
M
K
D
S
L
N
L
---
Q
T
T
A
K
A
L
E
Q
V
S
Q
Q
S
P
----
Y
P
M
P
S
V
K
D
I
S
P
G
D
L
A
E
E
L
R
R
N
L
-
V
Q
P
I
V
V
G
T
G
T
K
I
K
N
S
S
A
E
E
G
K
N
L
A
P
N
Q
Q
V
L
I
L
-
S
D
K
A
E
E
V
P
D
M
Y
G
W
T
K
E
T
A
E
T
L
A
K
W
L
N
I
E
L
E
F
Q
G
-
S
G
S
T
V
Q
K
Q
D
V
R
A
N
T
A
I
K
D
I
K
K
I
T
L
T
L
--------------------------------------
27
HHSearch
86.21
35%
-41
- C1 -
1QME
3
PBPX_STRPN
A:
[23-702]
--------------------------------------------------------
T
V
P
A
K
R
G
T
I
Y
D
R
N
G
V
P
I
A
E
D
A
T
-------------------------------------------------------------------------------------------------------------------------------------------------------------
S
P
N
R
S
Y
P
N
G
Q
F
A
S
S
F
I
G
L
A
Q
-
L
H
E
N
E
D-------------
G
-
S
K
S
L
L
G
T
S
G
M
E
S
S
L
N
S
I
L
A
G
T
D
G
---------------------
R
-
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
------
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
--
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
--
S
S
E
L
K
I
A
-
D
A
T
I
R
D
W
--
D
V
N
E
GL
T
G
---
G
R
M
M
T
F
S
Q
G
F
A
-
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
G
-----------------
D
A
T
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
--
N
---
I
-
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
-
T
A
R
K
S
Q
K
E
I
V
G
N
-----
P
V
S
K
D
A
A
S
L
T
R
T
N
M
V
L
V
G
T
--
D
---------
P
V-------
Y
G
T
MYNHST
G
K
-
P
T
V
-
T
-
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
E
K
N
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
V
T
V
Q
Q
P
E
-
H
----
Y
S
G
I
Q
L
G
E
F
A
N
P
I
------
L
E
R
A
S
A
M
K
D
S
L
N
L
Q
------
Q
S
P
Y
P
----
M
P
S
V
K
D
I
S
P
---
G
D
L
A
E
E
L
R
R
N
L
V
Q
P
I
V
V
G
T
G
T
K
I
K
N
S
S
A
E
E
G
K
N
L
A
P
N
Q
Q
V
L
I
L
S
D
K
A
-
E
E
V
P
D
M
Y
G
W
T
K
E
T
A
E
T
L
A
K
W
L
N
I
E
L
E
F
Q
G
S
G
S
-
T
V
Q
K
Q
D
V
R
A
N
T
A
I
K
D
I
K
K
I
T
L
T
L
G
D
------------------------------------
2
PsiBlast_PDB
84.82
36%
-41
- C1 -
1QME
3
PBPX_STRPN
A:
[23-700]
--------------------------------------------------------
T
V
P
A
K
R
G
T
I
Y
D
R
N
G
V
P
I
A
E
D
A
T
-------------------------------------------------------------------------------------------------------------------------------------------------------------
S
P
N
R
S
Y
P
N
G
Q
F
A
S
S
F
I
G
L
A
Q
L
H
E
N
E
D
--------------
G
-
S
K
S
L
L
G
T
S
G
M
E
S
S
L
N
S
I
L
A
G
T
D
G
---------------------
R
-
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
------
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
--
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
--
S
S
E
L
K
I
A
-
D
A
T
I
R
D
W
D
V
N
E
G
L--
T
G
---
G
R
M
M
T
F
S
Q
G
F
A
-
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
G
-----------------
D
A
T
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
--
N
---
I
-
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
-
T
A
R
K
S
Q
K
E
I
V
G
N
-----
P
V
S
K
D
A
A
S
L
T
R
T
N
M
--
V
L
V
--
G
TDPVYGTMY
N
--------
H
S
T
------
G
K
P
T
-
V
-
T
-
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
E
K
N
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
V
T
V
Q
Q
P
E
H
Y
S
G
I
Q
L
G
-----
E
F
A
N
P
I
L
E
R
A
S
A
M
K
D
S
L
N
L
---
Q
-----------
Q
S
P
----
Y
P
M
P
S
V
K
D
I
S
P
G
D
L
A
E
E
L
R
R
N
L
-
V
Q
P
I
V
V
G
T
G
T
K
I
K
N
S
S
A
E
E
G
K
N
L
A
P
N
Q
Q
V
L
I
L
-
S
D
K
A
E
E
V
P
D
M
Y
G
W
T
K
E
T
A
E
T
L
A
K
W
L
N
I
E
L
E
F
Q
G
-
S
G
S
T
V
Q
K
Q
D
V
R
A
N
T
A
I
K
D
I
K
K
I
T
L
T
L
--------------------------------------
52
Fugue
84.61
34%
-39
- C1 -
1QME
3
PBPX_STRPN
A:
[23-702]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
V
P
A
K
R
G
T
I
Y
D
--
R
N
----
G
V
P
I
A
E
D
A
T
S
P
N
R
S
Y
P
N
G
Q
F
A
S
S
F
I
G
L
A
Q
-
L
H
E
N
E
--------------
D
G
S
K
S
L
L
G
T
S
G
M
E
S
S
L
N
S
I
L
A
G
T
D
G
R
----------------------
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
------
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
E
D
F
V
--
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
--
S
S
E
L
K
I
A
-
D
A
T
I
R
D
W
--
D
V
N
---
E
G
LTG
G
R
M
M
T
F
S
Q
G
F
A
-
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
G
-----------------
D
A
T
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
--
N
---
I
-
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
-
T
A
R
K
S
Q
K
E
I
V
G
N
-----
P
V
S
K
D
A
A
S
L
T
R
T
N
M
V
L
V
G
T
--
D
---------
P
VYGTMYNH
S
T
G
------
K
P
-
T
-
V
-
T
-
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
E
K
N
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
V
T
V
Q
Q
P
E
-----
H
Y
S
G
I
Q
L
G
E
F
A
N
P
I
------
L
E
R
A
S
A
M
---
K
D
S
L
N
L
Q
Q
S
P
Y
---
P
----
M
P
S
V
K
D
I
S
P
---
G
D
L
A
E
E
L
R
R
N
L
V
Q
P
I
V
V
G
T
G
T
K
I
K
N
S
S
A
E
E
G
K
N
L
A
P
N
Q
Q
V
L
I
L
-
S
D
K
A
E
E
V
P
D
M
Y
G
W
T
K
E
T
A
E
T
L
A
K
W
L
N
I
E
L
E
F
Q
G
-
S
G
S
T
V
Q
K
Q
D
V
R
A
N
T
A
I
K
D
I
K
K
I
T
L
T
L
G
D
------------------------------------
54
Fugue
81.09
35%
-32
- C1 -
1K25
-
?
A:
[67-750]
----------------------------------------------------
Q
I
T
R
T
V
P
A
K
R
G
T
I
Y
D
R
N
G
V
P
I
A
E
D
------------------------------------------------------------------------------------------------------------------------------------------------
A
T
----
S
Y
N
V
Y
A
V
T
T
S
P
N
R
S
Y
P
N
G
Q
F
A
S
S
F
I
G
L
A
Q
-
L
H
E
N
E
--------------
D
G
S
K
S
L
L
G
T
S
G
M
E
S
S
L
N
S
I
L
A
G
T
D
G
I
I
T
Y
G
N
I
-----
V
P
G
T
E
L
V
S
Q
Q
-
T
V
D
G
K
D
V
Y
T
T
L
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
L
E
K
V
K
------
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
N
A
D
T
K
E
G
I
T
E
D
F
V
--
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
A
M
K
V
M
T
L
A
S
S
I
D
N
N
T
F
P
S
G
E
Y
F
--
N
--
S
S
E
L
-------------------------------------
S
S
N
V
G
M
S
L
L
E
Q
K
M
G
-----------------
D
A
T
W
L
D
Y
L
K
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
--
N
---
I
-
V
S
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
L
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
T
N
N
Q
-
S
V
R
K
S
Q
K
E
I
V
G
N
-----
P
V
S
K
E
A
A
S
T
T
R
N
H
M
I
L
V
G
-----------------------
T
D
------
P
L
-
I
-
I
-
T
-
V
P
G
Q
N
V
A
V
K
S
G
T
A
Q
I
A
D
E
K
N
G
G
Y
L
V
G
S
T
N
Y
I
F
S
A
V
T
M
N
P
A
E
N
P
D
F
I
L
Y
V
T
V
Q
Q
P
E
-
H
Y
S
G
I
Q
L
G
E
F
A
T
P
I
L
E
R
A
------
S
A
M
K
E
S
L
---
N
L
Q
S
P
A
K
N
L
D
K
V
T
T
E
S
S
Y
A
M
P
S
I
K
D
I
S
P
---
G
E
L
A
E
A
L
R
R
N
I
V
Q
P
I
V
V
G
T
G
T
K
I
K
E
T
S
V
E
E
G
T
N
L
A
P
N
Q
Q
V
L
L
L
-
S
D
K
V
E
E
I
P
D
M
Y
G
W
K
K
E
T
A
E
T
F
A
K
W
L
D
I
E
L
E
F
E
G
-
S
G
S
V
V
Q
K
Q
D
V
R
T
N
T
A
I
K
N
I
K
K
I
K
L
T
L
G
D
------------------------------------
53
Fugue
81.00
35%
-33
- C1 -
1K25
-
?
A:
[67-750]
----------------------------------------------------
Q
I
T
R
T
V
P
A
K
R
G
T
I
Y
D
R
N
G
V
P
I
A
E
D
A
------------------------------------------------------------------------------------------------------------------------------------------------
T
----
S
Y
N
V
Y
A
V
T
T
S
P
N
R
S
Y
P
N
G
Q
F
A
S
S
F
I
G
L
A
Q
-
L
H
E
N
E
--------------
D
G
S
K
S
L
L
G
T
S
G
M
E
S
S
L
N
S
I
L
A
G
T
D
G
I
I
T
Y
G
N
I
-----
V
P
G
T
E
L
V
S
Q
Q
-
T
V
D
G
K
D
V
Y
T
T
L
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
L
E
K
V
K
------
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
N
A
D
T
K
E
G
I
T
E
D
F
V
--
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
A
M
K
V
M
T
L
A
S
S
I
D
N
N
T
F
P
S
G
E
Y
F
--
N
--
S
S
E
L
-------------------------------------
S
S
N
V
G
M
S
L
L
E
Q
K
M
G
-----------------
D
A
T
W
L
D
Y
L
K
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
--
N
---
I
-
V
S
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
L
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
T
N
N
Q
-
S
V
R
K
S
Q
K
E
I
V
G
N
-----
P
V
S
K
E
A
A
S
T
T
R
N
H
M
I
L
V
G
T
DP-----------------------------
L
-
I
-
I
-
T
-
V
P
G
Q
N
V
A
V
K
S
G
T
A
Q
I
A
D
E
K
N
G
G
Y
L
V
G
S
T
N
Y
I
F
S
A
V
T
M
N
P
A
E
N
P
D
F
I
L
Y
V
T
V
Q
Q
P
E
-
H
Y
S
G
I
Q
L
G
E
F
A
T
P
I
L
E
R
A
------
S
A
M
K
E
S
L
---
N
L
Q
S
P
A
K
N
L
D
K
V
T
T
E
S
S
Y
A
M
P
S
I
K
D
I
S
P
---
G
E
L
A
E
A
L
R
R
N
I
V
Q
P
I
V
V
G
T
G
T
K
I
K
E
T
S
V
E
E
G
T
N
L
A
P
N
Q
Q
V
L
L
L
-
S
D
K
V
E
E
I
P
D
M
Y
G
W
K
K
E
T
A
E
T
F
A
K
W
L
D
I
E
L
E
F
E
G
-
S
G
S
V
V
Q
K
Q
D
V
R
T
N
T
A
I
K
N
I
K
K
I
K
L
T
L
G
D
------------------------------------
12
PsiBlast_PDB
77.86
25%
-38
- C1 -
4KQO
3
?
A:
[35-542]
-------------------------------------------------
A
R
S
V
R
H
I
A
I
P
A
H
R
G
L
I
T
D
R
N
G
E
P
L
A
V
S
T
P
V
T
T
L
W
A
-----------
N
P
K
E
L
M
T
A
K
--
E
R
W
P
Q
L
A
A
A
L
G
Q
D
T
K
L
F
A
D
R
I
E
Q
----------------------------------------------------------
N
----
A
--
E
R
--
E
F
I
Y
L
-
V
R
G
L
T
P
E
Q
G
E
G
V
I
--
A
L
----
K
V
P
G
V
Y
S
I
E
E
F
R
R
F
Y
P
A
G
E
V
V
A
H
A
V
G
F
T
D
-
V
D
D
R
----------------------
G
R
E
G
I
E
L
A
F
D
E
W
L
A
G
V
P
G
K
R
Q
V
L
K
D
R
R
G
R
V
I
K
D
V
Q
--
V
T
K
N
A
K
P
G
K
T
L
A
L
S
I
D
L
R
L
Q
Y
L
A
H
R
E
L
R
N
A
L
L
E
N
G
------
A
K
A
G
S
L
V
I
M
D
V
K
T
G
E
I
L
A
M
T
N
Q
P
T
Y
N
P
N
N
R
R
N
L
---
Q
P
A
A
M
R
N
R
A
M
I
D
V
F
E
P
G
S
T
V
K
P
F
S
M
S
A
A
L
A
S
G
R
W
K
P
S
D
I
V
--
D
VY
P
G
T
L
Q
I
G
-
R
Y
T
I
R
D
V
--
S
R
N
---
S
R
---
Q
L
D
L
T
---
G
I
L
I
K
S
S
N
V
G
I
S
K
I
A
F
D
I
G
-----------------
A
E
S
I
Y
S
V
M
Q
Q
V
G
L
G
Q
D
T
G
L
G
F
P
G
E
R
V
G
N
L
P
N
H
RK
W
---
P
K
A
E
T
A
T
L
A
Y
G
Y
G
L
S
V
T
A
I
Q
L
A
H
A
Y
A
A
L
A
N
D
G
K
-
S
V
P
L
S
M
T
R
V
D
R
V
P
D
G
-
V
Q
V
---------------
I
S
P
E
V
A
S
T
V
Q
G
M
L
Q
Q
V
V
E
--
A
---------
Q
--------
G
G
V
------
F
R
-
A
---
Q
-
V
P
G
Y
H
A
A
G
K
S
G
T
A
R
K
V
S
V
G
T
K
G
Y
R
E
N
A
Y
R
S
L
F
A
--
G
F
A
P
A
T
D
P
R
I
A
M
V
V
V
I
D
E
P
S
-
K
A
G
-
Y
F
G
G
L
V
S
A
P
V
F
S
K
V
------
M
A
G
A
L
R
L
---
M
N
V
P
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
77.64
25%
-40
- C1 -
4KQQ
5
?
A:
[36-542]
--------------------------------------------------
R
S
V
R
H
I
A
I
P
A
H
R
G
L
I
T
D
R
N
G
E
P
L
A
V
S
T
P
V
T
T
L
W
A
-----------
N
P
K
E
L
M
T
A
K
--
E
R
W
P
Q
L
A
A
A
L
G
Q
D
T
K
L
F
A
D
R
I
E
Q
----------------------------------------------------------
N
----
A
--
E
R
--
E
F
I
Y
L
-
V
R
G
L
T
P
E
Q
G
E
G
V
I
--
A
L
----
K
V
P
G
V
Y
S
I
E
E
F
R
R
F
Y
P
A
G
E
V
V
A
H
A
V
G
F
T
D
-
V
D
D
R
----------------------
G
R
E
G
I
E
L
A
F
D
E
W
L
A
G
V
P
G
K
R
Q
V
L
K
D
R
R
G
R
V
I
K
D
V
Q
--
V
T
K
N
A
K
P
G
K
T
L
A
L
S
I
D
L
R
L
Q
Y
L
A
H
R
E
L
R
N
A
L
L
E
N
G
------
A
K
A
G
S
L
V
I
M
D
V
K
T
G
E
I
L
A
M
T
N
Q
P
T
Y
N
P
N
N
R
R
N
L
---
Q
P
A
A
M
R
N
R
A
M
I
D
V
F
E
P
G
S
T
V
K
P
F
S
M
S
A
A
L
A
S
G
R
W
K
P
S
D
I
V
--
D
VY
P
G
T
L
Q
I
G
-
R
Y
T
I
R
D
V
--
S
R
N
---
S
R
---
Q
L
D
L
T
---
G
I
L
I
K
S
S
N
V
G
I
S
K
I
A
F
D
I
G
-----------------
A
E
S
I
Y
S
V
M
Q
Q
V
G
L
G
Q
D
T
G
L
G
F
P
G
E
R
V
G
N
L
P
N
H
RK
W
---
P
K
A
E
T
A
T
L
A
Y
G
Y
G
L
S
V
T
A
I
Q
L
A
H
A
Y
A
A
L
A
N
D
G
K
-
S
V
P
L
S
M
T
R
V
D
R
V
P
D
G
-
V
Q
V
---------------
I
S
P
E
V
A
S
T
V
Q
G
M
L
Q
Q
V
V
E
--
A
---------
Q
--------
G
G
V
------
F
R
-
A
---
Q
-
V
P
G
Y
H
A
A
G
K
S
G
T
A
R
K
V
S
V
G
T
K
G
Y
R
E
N
A
Y
R
S
L
F
A
--
G
F
A
P
A
T
D
P
R
I
A
M
V
V
V
I
D
E
P
S
-
K
A
G
-
Y
F
G
G
L
V
S
A
P
V
F
S
K
V
------
M
A
G
A
L
R
L
---
M
N
V
P
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
56
Fugue
77.47
27%
-43
- C1 -
3OC2
3
?
A:
[35-545]
-------------------------------------------------
A
R
S
V
R
H
I
A
I
P
A
H
R
G
L
I
T
D
R
N
G
E
P
L
A
V
S
T
P
V
T
T
L
W
A
-----------
N
P
K
E
L
M
T
A
K
--
E
R
W
P
Q
L
A
A
A
L
G
Q
D
T
K
L
F
A
D
R
I
E
Q
----------------------------------------------------------
N
----
A
--
E
R
E
--
F
I
Y
L
-
V
R
G
L
T
P
E
Q
G
E
G
V
I
--
A
L
----
K
V
P
G
V
Y
S
I
E
E
F
R
R
F
Y
P
A
G
E
V
V
A
H
A
V
G
F
T
D
-
V
D
D
R
----------------------
G
R
E
G
I
E
L
A
F
D
E
W
L
A
G
V
P
G
K
R
Q
V
L
K
D
R
R
G
R
V
I
K
D
-
V
Q
V
T
K
N
-
A
K
P
G
K
T
L
A
L
S
I
D
L
R
L
Q
Y
L
A
H
R
E
L
R
N
A
L
L
E
N
G
------
A
K
A
G
S
L
V
I
M
D
V
K
T
G
E
I
L
A
M
T
N
Q
P
T
Y
N
P
N
N
R
R
N
---
L
Q
P
A
A
M
R
N
R
A
M
I
D
V
F
E
P
G
S
T
V
K
P
F
S
M
S
A
A
L
A
S
G
R
W
K
P
S
D
I
V
D
V
Y
--
P
G
T
L
Q
I
G
-
R
Y
T
I
R
D
V
--
S
R
N
--------
S
R
Q
L
D
L
T
G
I
L
I
-
K
S
S
N
V
G
I
S
K
I
A
F
D
I
G
-----------------
A
E
S
I
Y
S
V
M
Q
Q
V
G
L
G
Q
D
T
G
L
G
F
P
G
E
R
V
G
N
L
P
N
H
--
R
KWP
K
-
A
E
T
A
T
L
A
Y
G
Y
G
L
S
V
T
A
I
Q
L
A
H
A
Y
A
A
L
A
N
D
G
K
S
V
-
P
L
S
M
T
R
V
D
R
V
P
D
G
-
V
Q
V
---------------
I
S
P
E
V
A
S
T
V
Q
G
M
L
Q
Q
V
V
E
--
A
---------
Q
---------
G
G
------
V
F
-
R
-
A
-
Q
-
V
P
G
Y
H
A
A
G
K
S
G
T
A
R
-------------
K
A
Y
R
S
L
F
A
G
F
A
P
A
T
D
P
R
I
A
M
V
V
V
I
D
E
P
-------
F
G
G
L
V
S
A
P
V
F
S
K
V
------
M
A
G
A
L
R
L
---
M
N
V
P
P
D
N
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
77.00
25%
-41
- C1 -
4KQR
11
?
A:
[36-542]
--------------------------------------------------
R
S
V
R
H
I
A
I
P
A
H
R
G
L
I
T
D
R
N
G
E
P
L
A
V
S
T
P
V
T
T
L
W
A
-----------
N
P
K
E
L
M
T
A
K
--
E
R
W
P
Q
L
A
A
A
L
G
Q
D
T
K
L
F
A
D
R
I
E
Q
----------------------------------------------------------
N
----
A
--
E
R
--
E
F
I
Y
L
-
V
R
G
L
T
P
E
Q
G
E
G
V
I
--
A
L
----
K
V
P
G
V
Y
S
I
E
E
F
R
R
F
Y
P
A
G
E
V
V
A
H
A
V
G
F
T
D
-
V
D
D
R
----------------------
G
R
E
G
I
E
L
A
F
D
E
W
L
A
G
V
P
G
K
R
Q
V
L
K
D
R
R
G
R
V
I
K
D
V
Q
--
V
T
K
N
A
K
P
G
K
T
L
A
L
S
I
D
L
R
L
Q
Y
L
A
H
R
E
L
R
N
A
L
L
E
N
G
------
A
K
A
G
S
L
V
I
M
D
V
K
T
G
E
I
L
A
M
T
N
Q
P
T
Y
N
P
N
N
R
R
N
L
---
Q
P
A
A
M
R
N
R
A
M
I
D
V
F
E
P
G
S
T
V
K
P
F
S
M
S
A
A
L
A
S
G
R
W
K
P
S
D
I
V
--
D
VY
P
G
T
L
Q
I
G
-
R
Y
T
I
R
D
V
--
S
R
N
---
S
R
---
Q
L
D
L
T
---
G
I
L
I
K
S
S
N
V
G
I
S
K
I
A
F
D
I
G
-----------------
A
E
S
I
Y
S
V
M
Q
Q
V
G
L
G
Q
D
T
G
L
G
F
P
G
E
R
V
G
N
L
P
N
H
RK
W
---
P
K
A
E
T
A
T
L
A
Y
G
Y
G
L
S
V
T
A
I
Q
L
A
H
A
Y
A
A
L
A
N
D
G
K
-
S
V
P
L
S
M
T
R
V
D
R
V
P
D
G
-
V
Q
V
---------------
I
S
P
E
V
A
S
T
V
Q
G
M
L
Q
Q
V
V
E
--
A
---------
Q
--------
G
G
V
------
F
R
-
A
---
Q
-
V
P
G
Y
H
A
A
G
K
S
G
T
A
R
K
V
S
V
G
T
K
G
Y
R
E
N
A
Y
R
S
L
F
A
--
G
F
A
P
A
T
D
P
R
I
A
M
V
V
V
I
D
E
P
S
-
K
A
G
-
Y
F
G
G
L
V
S
A
P
V
F
S
K
V
------
M
A
G
A
L
R
L
---
M
N
V
P
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
75.65
25%
-37
- C1 -
3OCN
1
?
A:
[35-542]
-------------------------------------------------
A
R
S
V
R
H
I
A
I
P
A
H
R
G
L
I
T
D
R
N
G
E
P
L
A
V
S
T
P
V
T
T
L
W
A
-----------
N
P
K
E
L
M
T
A
K
--
E
R
W
P
Q
L
A
A
A
L
G
Q
D
T
K
L
F
A
D
R
I
E
Q
----------------------------------------------------------
N
----
A
--
E
R
--
E
F
I
Y
L
-
V
R
G
L
T
P
E
Q
G
E
G
V
I
--
A
L
----
K
V
P
G
V
Y
S
I
E
E
F
R
R
F
Y
P
A
G
E
V
V
A
H
A
V
G
F
T
D
-
V
D
D
R
----------------------
G
R
E
G
I
E
L
A
F
D
E
W
L
A
G
V
P
G
K
R
Q
V
L
K
D
R
R
G
R
V
I
K
D
V
Q
--
V
T
K
N
A
K
P
G
K
T
L
A
L
S
I
D
L
R
L
Q
Y
L
A
H
R
E
L
R
N
A
L
L
E
N
G
------
A
K
A
G
S
L
V
I
M
D
V
K
T
G
E
I
L
A
M
T
N
Q
P
T
Y
N
P
N
N
R
R
N
L
---
Q
P
A
A
M
R
N
R
A
M
I
D
V
F
E
P
G
S
T
V
K
P
F
S
M
S
A
A
L
A
S
G
R
W
K
P
S
D
I
V
--
D
VY
P
G
T
L
Q
I
G
-
R
Y
T
I
R
D
V
--
S
R
N
---
S
R
---
Q
L
D
L
T
---
G
I
L
I
K
S
S
N
V
G
I
S
K
I
A
F
D
I
G
-----------------
A
E
S
I
Y
S
V
M
Q
Q
V
G
L
G
Q
D
T
G
L
G
F
P
G
E
R
V
G
N
L
P
N
H
RK
W
---
P
K
A
E
T
A
T
L
A
Y
G
Y
G
L
S
V
T
A
I
Q
L
A
H
A
Y
A
A
L
A
N
D
G
K
-
S
V
P
L
S
M
T
R
V
D
R
V
P
D
G
-
V
Q
V
---------------
I
S
P
E
V
A
S
T
V
Q
G
M
L
Q
Q
V
V
E
--
A
---------
Q
--------
G
G
V
------
F
R
-
A
---
Q
-
V
P
G
Y
H
A
A
G
K
S
G
T
A
R
K
V
--------
E
N
A
Y
R
S
L
F
A
--
G
F
A
P
A
T
D
P
R
I
A
M
V
V
V
I
D
E
P
S
-
K
A
G
-
Y
F
G
G
L
V
S
A
P
V
F
S
K
V
------
M
A
G
A
L
R
L
---
M
N
V
P
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
74.30
37%
-51
- C1 -
2ZC4
2
?
E:
[14-371]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
-
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
------
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
--
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
--
S
S
E
L
K
I
A
-
D
A
T
I
R
D
W
DV
N
--L--
T
G
---
G
R
M
M
T
F
S
Q
G
F
A
-
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
G
-----------------
D
A
T
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
--
N
---
I
-
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
-
T
A
R
K
S
Q
K
E
I
V
G
N
-----
P
V
S
K
D
A
A
S
L
T
R
T
N
M
--
V
L
V
--
G
T
DPVYGTMY
N
--------
H
S
T
------
G
K
P
T
-
V
-
T
-
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
E
K
N
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
V
T
V
Q
Q
P
E
H
Y
S
G
I
Q
L
G
-----
E
F
A
N
P
I
------
L
E
R
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
73.54
37%
-47
- C1 -
2ZC3
1
?
B:
[14-371]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
-
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
------
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
--
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
--
S
S
E
L
K
I
A
-
D
A
T
I
R
D
W
D
V
N
E
G
L--
T
G
---
G
R
M
M
T
F
S
Q
G
F
A
-
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
G
-----------------
D
A
T
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
--
N
---
I
-
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
-
T
A
R
K
S
Q
K
E
I
V
G
N
-----
P
V
S
K
D
A
A
S
L
T
R
T
N
M
--
V
L
V
--
G
T
DPVYGTMY
N
--------
H
S
T
------
G
K
P
T
-
V
-
T
-
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
E
K
N
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
V
T
V
Q
Q
P
E
H
Y
S
G
I
Q
L
G
-----
E
F
A
N
P
I
------
L
E
R
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
72.98
24%
-25
- C1 -
3VSK
-
?
A:
[47-678]
---------------------------------------
Q
G
S
H
Y
K
Q
I
I
K
N
D
E
N
I
T
V
N
E
S
V
P
R
G
R
I
L
D
R
N
G
K
V
L
V
D
N
A
S
K
M
A
I
T
Y
T
R
G
R
K
T
T
Q
--------
S
E
M
L
--
D
T
A
E
K
L
S
K
L
I
K
M
D
T
K
K
I
T
E
R
D
K
K
D
F
W
I
Q
L
H
P
K
K
A
K
A
M
M
T
K
E
Q
A
M
L
A
DGSIK
Q
D
Q
Y
D
K
Q
L
L
S
K
IRKSQLDELS
S
K
D
L
Q
V
L
A
I
F
R
E
M
N
A
GT
V
L
D
P
Q
--
M
I
K
N
E
D
V
S
E
K
E
Y
A
A
V
S
Q
Q
L
S
----
K
L
P
G
V
N
T
S
M
D
W
D
R
K
Y
P
Y
G
D
T
L
R
G
I
F
G
D
V
S
-
T
P
A
E
G
IPKEL
T
E
H
Y
L
S
K
GY
S
-
R
N
D
R
V
G
K
S
Y
L
E
Y
Q
Y
E
D
V
L
R
G
K
K
K
E
M
K
Y
T
T
D
K
S
G
K
V
T
S
S
E
--
V
L
N
P
-
G
A
R
G
Q
D
L
K
L
T
I
D
I
D
L
Q
K
E
V
E
A
L
L
D
K
Q
I
K
K
L
R
SQGAKD
M
D
N
A
M
M
V
V
Q
N
P
K
N
G
D
I
L
A
L
A
G
K
Q
I
N
K
S
G
K
M
T
--------
D
Y
D
I
G
T
F
T
S
Q
F
A
V
G
S
S
V
K
G
G
T
L
L
A
G
Y
Q
N
K
A
I
K
V
G
E
T
M
--
V
--
D
E
P
L
H
F
Q
G
G
L
T
K
R
S
Y
--
F
N
K
---
N
G
---
H
V
S
I
N
D
K
Q
A
L
M
-
H
S
S
N
V
Y
M
F
K
T
A
L
K
L
A
GDPYYSGMALPSDI
S
S
P
A
Q
K
L
R
R
G
L
N
Q
V
G
L
G
V
K
T
G
I
D
L
P
N
E
T
R
G
Q
I
E
P
L
T-
N
N--
P
-
G
N
Y
L
D
L
S
I
G
Q
Y
D
T
Y
T
P
L
Q
L
S
Q
Y
V
S
T
I
A
N
D
G
Y
R
I
Q
P
H
I
G
L
T
I
H
E
S
T
N
K
D
E
V
G
P
L
K
K
K
I
N
G
T
VLNKV
N
N
T
E
K
E
I
K
Q
I
Q
E
G
F
K
M
A
F
N
--
D
---------
K
--------
D
G
T
------
G
Y
-
V
-
S
F
K
-
D
T
V
V
P
T
A
G
K
T
G
T
A
E
V
F
Q
---------
E
P
R
V
N
S
T
Y
I
G
Y
A
P
I
D
D
P
K
L
A
F
S
I
V
Y
T
N
Q
P
-
V
P
---
P
P
W
L
T
G
G
D
L
G
R
D
V
------
I
N
Y
Y
F
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
72.75
37%
-47
- C1 -
2ZC3
2
?
E:
[14-371]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
-
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
------
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
--
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
--
S
S
E
L
K
I
A
-
D
A
T
I
R
D
W
DV
N
E
G
L--
T
G
---
G
R
M
M
T
F
S
Q
G
F
A
-
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
G
-----------------
D
A
T
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
--
N
---
I
-
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
-
T
A
R
K
S
Q
K
E
I
V
G
N
-----
P
V
S
K
D
A
A
S
L
T
R
T
N
M
--
V
L
V
--
G
TDPVYGTMY
N
--------
H
S
T
------
G
K
P
T
-
V
-
T
-
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
E
K
N
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
V
T
V
Q
Q
P
E
H
Y
S
G
I
Q
L
G
-----
E
F
A
N
P
I
------
L
E
R
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
72.50
37%
-49
- C1 -
2Z2M
2
?
B:
[14-371]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
-
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
------
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
--
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
--
S
S
E
L
K
I
A
-
D
A
T
I
R
D
W
D
V
N
E
G
L--
T
G
---
G
R
M
M
T
F
S
Q
G
F
A
-
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
G
-----------------
D
A
T
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
--
N
---
I
-
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
-
T
A
R
K
S
Q
K
E
I
V
G
N
-----
P
V
S
K
D
A
A
S
L
T
R
T
N
M
--
V
L
V
--
G
T
DPVYGTMY
N
--------
H
S
T
------
G
K
P
T
-
V
-
T
-
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
----
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
V
T
V
Q
Q
P
E
H
Y
S
G
I
Q
L
G
-----
E
F
A
N
P
I
------
L
E
R
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
72.05
37%
-47
- C1 -
2Z2L
1
?
B:
[14-371]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
-
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
------
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
--
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
--
S
S
E
L
K
I
A
-
D
A
T
I
R
D
W
D
V
N
E
G
L--
T
G
---
G
R
M
M
T
F
S
Q
G
F
A
-
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
G
-----------------
D
A
T
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
--
N
---
I
-
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
-
T
A
R
K
S
Q
K
E
I
V
G
N
-----
P
V
S
K
D
A
A
S
L
T
R
T
N
M
--
V
L
V
--
G
T
DPVYGTMY
N
--------
H
S
T
------
G
K
P
T
-
V
-
T
-
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
E
K
N
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
V
T
V
Q
Q
P
E
H
Y
S
G
I
Q
L
G
-----
E
F
A
N
P
I
------
L
E
R
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
72.01
37%
-46
- C1 -
2ZC4
1
?
B:
[14-371]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
-
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
------
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
--
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
--
S
S
E
L
K
I
A
-
D
A
T
I
R
D
W
D
V
N
E
G
L--
T
G
---
G
R
M
M
T
F
S
Q
G
F
A
-
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
G
-----------------
D
A
T
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
--
N
---
I
-
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
-
T
A
R
K
S
Q
K
E
I
V
G
N
-----
P
V
S
K
D
A
A
S
L
T
R
T
N
M
--
V
L
V
--
G
T
DPVYGTMY
N
--------
H
S
T
------
G
K
P
T
-
V
-
T
-
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
E
K
N
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
V
T
V
Q
Q
P
E
H
Y
S
G
I
Q
L
G
-----
E
F
A
N
P
I
------
L
E
R
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
71.47
37%
-50
- C1 -
2Z2M
1
?
E:
[14-371]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
-
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
------
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
--
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
--
S
S
E
L
K
I
A
-
D
A
T
I
R
D
W
DV-------
G
---
G
R
M
M
T
F
S
Q
G
F
A
-
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
G
-----------------
D
A
T
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
--
N
---
I
-
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
-
T
A
R
K
S
Q
K
E
I
V
G
N
-----
P
V
S
K
D
A
A
S
L
T
R
T
N
M
--
V
L
V
--
G
T
DPVYGTMY
N
--------
H
S
T
------
G
K
P
T
-
V
-
T
-
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
E
K
N
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
V
T
V
Q
Q
P
E
H
Y
S
G
I
Q
L
G
-----
E
F
A
N
P
I
------
L
E
R
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------