@TOME V2.3
(Mar 2018)
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 : spr1118: (2018-01-05 )
MINHITDNQFKLVSKYQPSGDQPQAIEQLVDNIEGGEKAQILMGATGTGKTYTMSQVISKVNKPTLVIAHNKTLAGQLYGEFKEFFPENAVEYFVSYYDYYQPEAYVPSSDTYIEKDSSVNDEIDKLRHSATSALLERNDVIVVASVSCIYGLGSPKEYADSVVSLRPGLEISRDKLLNDLVDIQFERNDIDFQRGRFRVRGDVVEIFPASRDEHAFRVEFFGDEIDRIREVEALTGQVLGEVDHLAIFPATHFVTNDDHMEVAIAKIQAELEEQLAVFEKEGKLLEAQRLKQRTEYDIEMLREMGYTNGVENYSRHMDGRSEGEPPYTLLDFFPDDFLIMIDESHMTMGQIKGMYNGDRSRKEMLVNYGFRLPSALDNRPLRREEFESHVHQIVYVSATPGDYENEQTETVIEQIIRPTGLLDPEVEVRPTMGQIDDLLGEINARVEKNERTFITTLTKKMAEDLTDYFKEMGIKVKYMHSDIKTLERTEIIRDLRLGVFDVLVGINLLREGIDVPEVSLVAILDADKEGFLRNERGLIQTIGRAARNSEGHVIMYADTVTQSMQRAIDETARRRKIQMAYNEEHGIVPQTIKKEIRDLIAVTKAVAKEEDKEVDINSLNKQERKELVKKLEKQMQEAVEVLDFELAAQIRDMMLEVKALD
Atome Classification :
(20 SA)
.........10........20........30........40........50........60...--.....70........80........90........100.......110.......120.......130.......140.......150.......160-.......170.......180.......190.......200.......210.......220.......230........240.......250.......260.......270.......280.......290.......300.......310.......320.......330.....-..340.......350.......360.......370.......380.......390.......400.......410.......420.......430.......440.......450.......460.......470.......480.........490.......500.......510.......520.......530.......540......-.-550-----........560-.........570.......580-.......590.......600.......610.......620.......630.......640.......650.......660--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MINHITDN
Q
F
K
L
V
S
KYQPSGD
Q
P
Q
A
I
E
Q
L
V
D
NIEGG
E
K
A
Q
I
L
M
GATGTGK
T
Y
T
M
S
Q
V
I
S
KVNK
P
--
T
L
V
I
A
HNK
T
L
A
G
Q
L
Y
G
E
F
K
E
FF
P
E
N
A
V
E
Y
F
V
S
Y
Y
D
Y
YQPEAYVPSSD
T
Y
IEKDSSV
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
LERN
D
V
I
V
V
A
S
V
S
C
I
YGLG
S
P
K
E
Y
A
D
S
-
V
V
SLRPGLEI
S
R
D
K
L
L
N
D
L
V
D
I
Q
F
ERNDIDFQR
G
R
F
R
V
RG
D
V
V
E
I
FPASRDE
H
A
F
R
V
E
FFG
D
E
I
D
R
I
R
-
E
V
E
A
L
T
G
Q
V
L
GEVD
H
L
A
I
FPA
T
H
FVTNDD
H
M
E
V
A
I
A
K
I
Q
A
E
L
E
E
Q
L
A
V
F
E
KEG
K
L
L
E
A
Q
R
L
K
Q
R
T
E
Y
D
I
E
M
L
R
EMGYTN
G
V
E
N
Y
S
R
HMDGRSEGEP
P
Y
T
L
L
DFFPD
D
-
F
L
I
M
I
DESHM
T
M
G
Q
I
K
G
MYNG
D
R
S
R
K
E
M
L
V
N
YGFRLPSALDNRPL
R
R
E
E
F
E
S
H
V
H
Q
I
V
Y
V
SATPGDYEN
E
Q
T
E
T
V
I
E
Q
I
I
RPTGLLDPE
V
E
V
RPTMG
Q
I
D
D
L
L
G
E
I
N
A
RVEKNE
R
T
F
I
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
F
K
EMG
I
K
V
K
Y
M--
H
S
D
I
K
T
L
E
R
T
E
I
I
R
D
L
R
L
G
V
F
D
V
L
V
G
I
N
L
L
R
EGIDVP
E
V
S
L
V
A
I
LDADKEGFLRNE
R
G
L
I
Q
T
I
G
R
AAR-N-SE------G
H
V
I
M
Y
A
D
T
---
V
T
Q
S
M
Q
R
A
I
D
E
T
A
R
R
R
K
I
Q
M
A
Y-NEEHGI
V
P
Q
T
I
K
K
E
I
R
D
L
I
A
V
T
K
A
V
AKEEDKEV
D
I
N
SL
N
K
Q
E
R
K
E
L
V
K
K
L
E
K
Q
M
Q
E
A
V
E
V
L
D
F
E
L
A
A
Q
I
R
D
M
M
L
E
V
KALD--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
80.13
70%
-89
- C3 -
-
2D7D
2
UVRB_BACSU
A:
[3-654]
-------
D
R
F
E
L
V
S
K
Y
Q
P
Q
G
D
Q
P
K
A
I
E
K
L
V
K
G
I
Q
E
G
K
K
H
Q
T
L
L
G
A
T
G
T
G
K
T
F
T
V
S
N
L
I
K
E
V
N
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
F
K
E
F
F
P
N
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
F
I
E
K
D
A
S
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
I
A
S
V
S
C
I
Y
G
L
G
S
P
E
E
Y
R
E
M
-
V
V
S
L
R
T
E
M
E
I
E
R
N
E
L
L
R
K
L
V
D
I
Q
Y
A
R
N
D
I
D
F
Q
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
D
E
H
C
V
R
V
E
F
F
G
D
E
I
E
R
I
R
-
E
V
D
A
L
T
G
E
I
L
G
D
R
D
H
V
A
I
F
P
A
S
H
F
V
T
R
A
E
K
M
E
K
A
I
Q
N
I
E
K
E
L
E
E
Q
L
K
V
M
H
E
N
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
T
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
-
F
M
I
V
V
D
E
S
H
V
T
I
P
Q
V
R
G
M
F
N
G
D
Q
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
A
L
D
N
R
P
L
R
F
E
E
F
E
K
H
M
H
N
I
V
Y
V
S
A
T
P
G
P
Y
E
I
E
H
T
D
E
M
V
E
Q
I
I
R
P
T
G
L
L
D
P
L
I
D
V
R
P
I
E
G
Q
I
D
D
L
I
G
E
I
Q
A
R
I
E
R
N
E
R
V
L
V
T
T
L
T
K
K
M
S
E
D
L
T
D
Y
L
K
E
I
G
I
K
V
N
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
-
A
E
------
G
R
V
I
M
Y
A
D
K
---
I
T
K
S
M
E
I
A
I
N
E
T
K
R
R
R
E
Q
Q
E
R
F
-
N
E
E
H
G
I
T
P
K
T
I
N
---------------------------
K
K
E
R
Q
K
V
V
E
Q
M
E
H
E
M
K
E
A
A
K
A
L
D
F
E
R
A
A
E
L
R
D
L
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
HHSearch
80.05
71%
-87
- C3 -
-
2NMV
3
?
A:
[3-654]
-------
D
R
F
E
L
V
-
K
Y
Q
P
Q
G
D
Q
P
K
A
I
E
K
L
V
K
G
I
Q
E
G
K
K
H
Q
T
L
L
G
A
T
G
T
G
K
T
F
T
V
S
N
L
I
K
E
V
N
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
F
K
E
F
F
P
N
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
F
I
E
K
D
A
S
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
I
A
S
V
S
C
I
Y
G
L
G
S
P
E
E
Y
R
E
M
-
V
V
S
L
R
T
E
M
E
I
E
R
N
E
L
L
R
K
L
V
D
I
Q
Y
A
R
N
D
I
D
F
Q
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
D
E
H
C
V
R
V
E
F
F
G
D
E
I
E
R
I
R
-
E
V
D
A
L
T
G
E
I
L
G
D
R
D
H
V
A
I
F
P
A
S
H
F
V
T
R
A
E
K
M
E
K
A
I
Q
N
I
E
K
E
L
E
E
Q
L
K
V
M
H
E
N
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
T
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
-
F
M
I
V
V
D
E
S
H
V
T
I
P
Q
V
R
G
M
F
N
G
D
Q
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
A
L
D
N
R
P
L
R
F
E
E
F
E
K
H
M
H
N
I
V
Y
V
S
A
T
P
G
P
Y
E
I
E
H
T
D
E
M
V
E
Q
I
I
R
P
T
G
L
L
D
P
L
I
D
V
R
P
I
E
G
Q
I
D
D
L
I
G
E
I
Q
A
R
I
E
R
N
E
R
V
L
V
T
T
L
T
K
K
M
S
E
D
L
T
D
Y
L
K
E
I
G
I
K
V
N
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
-
A
E
------
G
R
V
I
M
Y
A
D
K
---
I
T
K
S
M
E
I
A
I
N
E
T
K
R
R
R
E
Q
Q
E
R
F
-
N
E
E
H
G
I
T
P
K
T
I
N
---------------------------
K
K
E
R
Q
K
V
V
E
Q
M
E
H
E
M
K
E
A
A
K
A
L
D
F
E
R
A
A
E
L
R
D
L
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
79.91
71%
-92
- C3 -
-
1T5L
-
UVRB_BACCA
A:
[2-595]
------
E
G
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
V
K
H
Q
T
L
L
G
A
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
N
A
V
E
Y
F
V
S
Y
Y
D
Y
A
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
C
I
Y
G
L
G
S
P
E
E
Y
R
E
L
-
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
D
F
R
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
R
I
R
-
E
V
D
A
L
T
G
E
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
-
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
I
N
Q
I
I
Y
V
S
A
T
P
G
P
Y
E
L
E
H
S
P
G
V
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
R
P
T
K
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
R
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
-
A
N
------
G
H
V
I
M
Y
A
D
T
---
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
Q
E
E
Y
-
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
79.75
70%
-87
- C3 -
-
2NMV
3
?
A:
[3-654]
-------
D
R
F
E
L
V
-
K
Y
Q
P
Q
G
D
Q
P
K
A
I
E
K
L
V
K
G
I
Q
E
G
K
K
H
Q
T
L
L
G
A
T
G
T
G
K
T
F
T
V
S
N
L
I
K
E
V
N
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
F
K
E
F
F
P
N
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
F
I
E
K
D
A
S
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
I
A
S
V
S
C
I
Y
G
L
G
S
P
E
E
Y
R
E
M
-
V
V
S
L
R
T
E
M
E
I
E
R
N
E
L
L
R
K
L
V
D
I
Q
Y
A
R
N
D
I
D
F
Q
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
D
E
H
C
V
R
V
E
F
F
G
D
E
I
E
R
I
R
-
E
V
D
A
L
T
G
E
I
L
G
D
R
D
H
V
A
I
F
P
A
S
H
F
V
T
R
A
E
K
M
E
K
A
I
Q
N
I
E
K
E
L
E
E
Q
L
K
V
M
H
E
N
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
T
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
-
F
M
I
V
V
D
E
S
H
V
T
I
P
Q
V
R
G
M
F
N
G
D
Q
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
A
L
D
N
R
P
L
R
F
E
E
F
E
K
H
M
H
N
I
V
Y
V
S
A
T
P
G
P
Y
E
I
E
H
T
D
E
M
V
E
Q
I
I
R
P
T
G
L
L
D
P
L
I
D
V
R
P
I
E
G
Q
I
D
D
L
I
G
E
I
Q
A
R
I
E
R
N
E
R
V
L
V
T
T
L
T
K
K
M
S
E
D
L
T
D
Y
L
K
E
I
G
I
K
V
N
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
-
A
E
------
G
R
V
I
M
Y
A
D
K
---
I
T
K
S
M
E
I
A
I
N
E
T
K
R
R
R
E
Q
Q
E
R
F
-
N
E
E
H
G
I
T
P
K
T
I
N
---------------------------
K
K
E
R
Q
K
V
V
E
Q
M
E
H
E
M
K
E
A
A
K
A
L
D
F
E
R
A
A
E
L
R
D
L
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
78.58
71%
-87
- C3 -
-
3UWX
-
?
B:
[27-620]
------
E
G
R
F
Q
L
V
S
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
L
G
V
K
H
Q
T
L
L
G
A
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
H
S
E
L
K
E
F
F
P
H
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
C
I
Y
G
L
G
S
P
E
E
Y
R
E
L
-
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
D
F
R
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
R
I
R
-
E
V
D
A
L
T
G
E
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
-
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
I
N
Q
I
I
Y
I
S
A
T
P
G
P
Y
E
L
E
H
S
P
G
V
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
R
P
T
K
G
Q
I
D
D
L
I
G
E
I
H
E
R
V
E
R
N
E
R
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
-
A
N
------
G
H
V
I
M
Y
A
D
T
---
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
Q
E
E
Y
-
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
78.45
70%
-93
- C3 -
-
3V4R
1
UVRB_BACSU
A:
[9-596]
-------
D
R
F
E
L
V
S
K
Y
Q
P
Q
G
D
Q
P
K
A
I
E
K
L
V
K
G
I
Q
E
G
K
K
H
Q
T
L
L
G
A
T
G
T
G
K
T
F
T
V
S
N
L
I
K
E
V
N
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
F
K
E
F
F
P
N
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
F
I
E
K
D
A
S
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
I
A
S
V
S
C
I
Y
G
L
G
S
P
E
E
Y
R
E
M
-
V
V
S
L
R
T
E
M
E
I
E
R
N
E
L
L
R
K
L
V
D
I
Q
Y
A
R
N
D
I
D
F
Q
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
--
R
D
E
H
C
V
R
V
E
F
F
G
D
E
I
E
R
I
R
-
E
V
D
A
L
T
G
E
I
L
G
D
R
D
H
V
A
I
F
P
A
S
H
F
V
T
R
A
E
K
M
E
K
A
I
Q
N
I
E
K
E
L
E
E
Q
L
K
V
M
H
E
N
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
T
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
-
F
M
I
V
V
D
E
S
H
V
T
I
P
Q
V
R
G
M
F
N
G
D
Q
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
A
L
D
N
R
P
L
R
F
E
E
F
E
K
H
M
H
N
I
V
Y
V
S
A
T
P
G
P
Y
E
I
E
H
T
D
E
M
V
E
Q
I
I
R
P
T
G
L
L
D
P
L
I
D
V
R
P
I
E
G
Q
I
D
D
L
I
G
E
I
Q
A
R
I
E
R
N
E
R
V
L
V
T
T
L
T
K
K
M
S
E
D
L
T
D
Y
L
K
E
I
G
I
K
V
N
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
-
A
E
------
G
R
V
I
M
Y
A
D
K
---
I
T
K
S
M
E
I
A
I
N
E
T
K
R
R
R
E
Q
Q
E
R
F
-
N
E
E
H
G
I
T
P
K
T
I
N
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
77.89
70%
-92
- C3 -
-
3V4R
1
?
B:
[9-595]
-------
D
R
F
E
L
V
S
K
Y
Q
P
Q
G
D
Q
P
K
A
I
E
K
L
V
K
G
I
Q
E
G
K
K
H
Q
T
L
L
G
A
T
G
T
G
K
T
F
T
V
S
N
L
I
K
E
V
N
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
F
K
E
F
F
P
N
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
F
I
E
K
D
A
S
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
I
A
S
V
S
C
I
Y
G
L
G
S
P
E
E
Y
R
E
M
-
V
V
S
L
R
T
E
M
E
I
E
R
N
E
L
L
R
K
L
V
D
I
Q
Y
A
R
N
D
I
D
F
Q
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
D
E
H
C
V
R
V
E
F
F
G
D
E
I
E
R
I
R
-
E
V
D
A
L
T
G
E
I
L
G
D
R
D
H
V
A
I
F
P
A
S
--------
M
E
K
A
I
Q
N
I
E
K
E
L
E
E
Q
L
K
V
M
H
E
N
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
T
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
-
F
M
I
V
V
D
E
S
H
V
T
I
P
Q
V
R
G
M
F
N
G
D
Q
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
A
L
D
N
R
P
L
R
F
E
E
F
E
K
H
M
H
N
I
V
Y
V
S
A
T
P
G
P
Y
E
I
E
H
T
D
E
M
V
E
Q
I
I
R
P
T
G
L
L
D
P
L
I
D
V
R
P
I
E
G
Q
I
D
D
L
I
G
E
I
Q
A
R
I
E
R
N
E
R
V
L
V
T
T
L
T
K
K
M
S
E
D
L
T
D
Y
L
K
E
I
G
I
K
V
N
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
-
A
E
------
G
R
V
I
M
Y
A
D
K
---
I
T
K
S
M
E
I
A
I
N
E
T
K
R
R
R
E
Q
Q
E
R
F
-
N
E
E
H
G
I
T
P
K
T
I
N
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
77.60
71%
-94
- C3 -
-
2FDC
2
UVRB_BACCA
B:
[2-593]
------
E
G
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
V
K
H
Q
T
L
L
G
A
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
C
I
Y
G
L
G
S
P
E
E
Y
R
E
L
-
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
D
F
R
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
R
I
R
-
E
V
D
A
L
T
G
E
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
-
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
I
N
Q
I
I
Y
V
S
A
T
P
G
P
Y
E
L
E
H
S
P
G
V
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
R
P
T
K
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
R
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
--
H
--------
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
-
A
N
------
G
H
V
I
M
Y
A
D
T
---
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
Q
E
E
Y
-
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
69
Fugue
74.35
73%
-69
- C3 -
-
1D9X
-
UVRB_BACCA
A:
[2-595]
------
E
G
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
V
K
H
Q
T
L
L
G
A
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
C
I
Y
G
L
G
S
P
E
E
Y
R
E
L
-
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
--
F
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
A
---
E
V
D
A
L
T
G
K
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
-
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
I
N
Q
I
I
Y
V
S
A
T
P
G
P
Y
E
L
E
H
S
P
G
V
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
R
P
T
K
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
R
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
N
A
--
N
------
G
H
V
I
M
Y
A
D
T
---
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
Q
E
E
Y
-
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
73.61
71%
-73
- C3 -
-
1D9Z
1
UVRB_BACCA
A:
[2-594]
------
E
G
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
V
K
H
Q
T
L
L
G
A
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
C
I
Y
G
L
G
S
P
E
E
Y
R
E
L
-
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
-
F
-
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
--
R
-
E
V
D
A
L
T
G
K
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
-
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
I
N
Q
I
I
Y
V
S
A
T
P
G
P
Y
E
L
E
H
S
P
G
V
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
R
P
T
K
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
R
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
-
A
N
------
G
H
V
I
M
Y
A
D
T
---
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
Q
E
E
Y
-
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
68
Fugue
71.16
59%
-88
- C3 -
-
1D2M
3
UVRB_THET8
A:
[2-583]
--------
T
F
R
Y
-
R
G
P
S
P
K
G
D
Q
P
K
A
I
A
G
L
V
E
A
L
R
D
G
E
R
F
V
T
L
L
G
A
T
G
T
G
K
T
V
T
M
A
K
V
I
E
A
L
G
R
P
--
A
L
V
L
A
P
N
K
I
L
A
A
Q
L
A
A
E
F
R
E
L
F
P
E
N
A
V
E
Y
F
I
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
G
K
D
L
Y
I
E
K
D
A
S
I
N
P
E
I
E
R
L
R
H
S
T
T
R
S
L
L
T
R
R
D
V
I
V
V
A
S
V
S
A
I
Y
G
L
G
D
P
R
E
Y
R
A
--------
R
N
L
V
V
R
E
V
L
L
E
R
L
L
E
L
G
Y
Q
R
N
D
I
D
L
S
P
G
R
F
R
A
K
G
E
V
L
E
I
F
P
A
Y
E
T
E
-
P
I
R
V
E
L
------------------------
G
F
V
L
F
P
A
T
H
Y
L
S
P
E
G
-
L
E
E
I
L
K
E
I
E
K
E
L
W
E
R
V
R
Y
F
E
E
R
G
E
V
L
Y
A
Q
R
L
K
E
R
T
L
Y
D
L
E
M
L
R
V
M
G
T
C
P
G
V
E
N
Y
A
R
Y
F
T
G
K
A
P
G
E
P
P
Y
T
L
L
D
Y
F
P
E
D
-
F
L
V
F
L
D
E
S
H
V
T
V
P
Q
L
Q
G
M
Y
R
G
D
Y
A
R
K
K
T
L
V
D
Y
G
F
R
L
P
S
A
L
D
N
R
P
L
R
F
E
E
F
L
E
R
V
S
Q
V
V
F
V
S
A
T
P
G
P
F
E
L
A
H
S
G
R
V
V
E
Q
I
I
R
P
T
G
L
L
D
P
L
V
R
V
K
P
T
E
N
Q
I
L
D
L
M
E
G
I
R
E
R
A
A
R
G
E
R
T
L
V
T
V
L
T
V
R
M
A
E
E
L
T
S
F
L
V
E
H
G
I
R
A
R
Y
L
--
H
H
E
L
D
A
F
K
R
Q
A
L
I
R
D
L
R
L
G
H
Y
D
C
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
-
A
R
------
G
E
V
W
L
Y
A
D
R
---
V
S
E
A
M
Q
R
A
I
E
E
T
N
R
R
R
A
L
Q
E
A
Y
-
N
L
E
H
G
I
T
P
E
T
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
70.59
71%
-28
- C3 -
-
1D9X
-
UVRB_BACCA
A:
[2-595]
------
E
G
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
V
K
H
Q
T
L
L
G
A
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
C
I
Y
G
L
G
S
P
E
E
Y
R
E
L
-
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
-
F
-
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
---A
E
V
D
A
L
T
G
K
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
-
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
I
N
Q
I
I
Y
V
S
A
T
P
G
P
Y
E
L
E
H
S
P
G
V
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
R
P
T
K
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
R
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
-
A
N
------
G
H
V
I
M
Y
A
D
T
---
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
Q
E
E
Y
-
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
67.78
71%
-89
- C3 -
-
2FDC
1
UVRB_BACCA
A:
[2-594]
------
E
G
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
V
K
H
Q
T
L
L
G
A
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
C
I
Y
G
L
G
S
P
E
E
Y
R
E
L
-
V
V
------------------------------------------------------------------------------------
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
-
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
I
N
Q
I
I
Y
V
S
A
T
P
G
P
Y
E
L
E
H
S
P
G
V
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
R
P
T
K
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
R
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
--
H
------
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
-
A
N
------
G
H
V
I
M
Y
A
D
T
---
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
Q
E
E
Y
-
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
70
Fugue
49.60
68%
21
- C3 -
-
1D9X
-
UVRB_BACCA
A:
[2-414]
------
E
G
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
V
K
H
Q
T
L
L
G
A
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
--KP
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
C
I
Y
G
L
G
S
P
E
E
Y
R
E
L
-
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
--
F
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
A
E
V
-
D
--
A
L
T
G
K
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
-
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
I
N
Q
I
I
Y
V
S
A
T
P
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
P
Y
E
L
E
H
S
P
-----------------
G
V
V
E
Q
I
I
R
P
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
72
Fugue
36.41
17%
-95
* C4 *
-
3HJH
-
MFD_ECOLI
A:
[5-450]
---------------------------
Y
R
Y
T
L
P
V
K
A
G
E
Q
R
L
L
G
E
L
T
G
A
A
C
A
T
L
V
A
E
I
A
E
R
H
A
G
P
--
V
V
L
I
A
P
D
M
Q
N
A
L
R
L
H
D
E
I
S
Q
F
T
D
Q
M
-----
V
M
N
L
A
D
W
E
T
L
P
Y
-
D
S
F
S
P
H
Q
D
I
I
S
S
R
L
S
T
L
Y
Q
L
P
T
M
-------
Q
R
G
V
L
I
V
P
V
N
T
L
M
Q
R
V
C
P
H
S
F
L
H
G
H
-
A
L
V
M
K
K
G
Q
R
L
S
R
D
A
L
R
T
Q
L
D
S
A
G
Y
R
H
V
D
Q
V
M
E
H
G
E
Y
A
T
R
G
A
L
L
D
L
F
P
M
G
-
S
E
L
P
Y
R
L
D
F
F
D
D
E
I
D
S
L
R
-
V
F
D
V
D
S
Q
R
T
L
E
E
V
E
A
I
N
L
L
P
A
H
E
F
P
T
D
----
K
A
A
I
E
L
F
R
S
Q
W
R
D
T
F
E
V
K
R
D
P
E
H
I
Y
Q
Q
V
S
K
G
T
L
P
-------------
A
G
I
E
Y
W
Q
P
L
F
----
F
S
E
P
L
P
P
L
F
S
Y
F
P
A
N
-
T
L
L
V
N
T
G
D
--
L
E
T
S
A
E
R
F
Q
A
D
T
L
A
R
F
E
N
R
G
V
D
P
M
R
P
L
L
P
P
Q
S
L
W
L
R
V
D
E
L
F
S
E
L
K
N
W
P
R
V
Q
L
K
T
E
H
L
P
T
K
A
A
N
A
N
L
G
--
F
Q
K
L
P
D
L
A
V
Q
A
Q
Q
K
A
P
L
D
A
L
R
K
F
L
E
T
F
D
G
P
------
V
V
F
S
V
E
S
E
G
R
R
E
A
L
G
E
L
L
A
R
I
K
I
A
P
Q
R
I
--
M
R
L
D
E
A
S
D
R
------------
G
R
Y
L
M
I
G
A
A
E
H
G
F
V
D
T
V
R
N
L
A
L
I
C
E
S
D
L
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
71
Fugue
35.47
17%
-8
- C4 -
-
2EYQ
3
MFD_ECOLI
A:
[5-1150]
----
P
E
Q
Y
R
Y
T
L
P
V
K
---
A
G
E
Q
-----------------
R
L
L
G
E
L
T
G
A
A
C
A
T
L
V
A
E
I
A
E
R
H
A
G
P
--
V
V
L
I
A
P
D
M
Q
N
A
L
R
L
H
D
E
I
S
Q
F
T
D
Q
M
V
M
N
--------------
L
A
D
W
E
T
L
P
Y
D
S
F
S
P
H
Q
D
I
I
S
S
R
L
S
T
L
Y
Q
L
P
T
M
Q
R
G
V
L
I
V
P
V
N
T
L
M
Q
R
V
C
P
H
S
F
L
H
G
H
A
L
V
M
K
K
G
Q
R
L
S
R
D
A
L
R
T
Q
L
D
S
A
G
Y
R
H
V
D
Q
V
M
E
H
G
E
Y
A
T
R
G
A
L
L
D
L
F
P
M
G
S
-
E
L
P
Y
R
L
D
F
F
D
D
E
I
D
S
L
R
-
V
F
D
V
D
S
Q
R
T
L
E
E
V
E
A
I
N
L
L
P
A
H
E
F
P
T
D
----
K
A
A
I
E
L
F
R
S
Q
W
R
D
T
F
E
V
-------------
K
R
D
P
E
H
I
Y
Q
Q
V
S
K
G
T
L
P
A
G
I
E
Y
W
Q
P
L
F
----
F
S
E
P
L
P
P
L
F
S
Y
F
P
A
N
T
L
L
V
N
T
G
D
L
E
T
S
A
E
R
F
Q
A
D
T
L
A
R
F
E
N
R
G
V
D
P
M
R
P
L
L
P
P
Q
S
L
W
---
L
R
V
D
E
L
F
S
E
L
K
N
W
P
R
V
Q
L
K
T
E
H
L
P
T
K
A
A
N
A
N
L
G
--
F
Q
K
L
P
D
L
A
V
Q
A
Q
Q
K
A
P
L
D
A
L
R
K
F
L
E
T
F
D
G
P
V
------
V
F
S
V
E
S
E
G
R
R
E
A
L
G
E
L
L
A
R
I
K
I
A
P
Q
R
I
MR
L
D
E
A
S
D
R
G
R
Y
L
M
I
G
A
A
E
H
G
F
V
D
------------
T
V
R
N
L
A
L
I
C
E
S
D
L
L
G
E
R
V
A
R
R
R
Q
D
S
R
R
T
I
N
P
D
T
L
-
I
-
R
N
LAELHI
G
Q
P
V
V
H
L
E
H
G
V
G
R
Y
A
G
M
T
T
L
E
A
G
G
I
T
G
E
Y
L
M
L
T
Y
A
N
D
A
K
L
Y
V
P
------
V
S
S
L
H
L
I
S
R
-
Y
A
G
G
A
E
E
N
A
P
L
H
K
L
G
G
D
A
W
S
R
A
R
Q
K
A
A
E
K
V
R
D
V
A
A
E
L
L
D
I
Y
A
Q
R
A
A
K
E
G
F
A
F
K
H
D
R
E
Q
Y
Q
L
F
C
D
S
F
P
F
E
T
T
P
D
Q
A
Q
A
I
N
A
V
L
S
D
M
C
QP
L
A
M
D
R
L
V
C
G
D
VGFGKT
E
V
A
M
R
A
A
F
L
A
V
D
N
H
K
Q
V
A
V
L
V
PT
T
L
L
A
Q
Q
H
Y
D
N
F
R
D
R
F
A
NWP
V
R
I
E
M
I
SRFRS
A
K
E
Q
T
Q
I
L
A
E
V
A
E
GKID
I
L
I
G
T
H
K
L
L
Q
S
DVKFKDLG
L
L
I
V
D
EEHRFG
V
R
H
K
E
R
I
K
A
M
R
AN
V
D
I
L
T
L
T
ATPIP
R
T
L
N
M
A
M
SGM
R
D
L
S
I
IATPPARR
L
A
V
K
T
F
V
R
E
YD
S
M
V
V
R
E
A
I
L
R
E
I
L
R
G
G
Q
V
Y
Y
L
Y
NDVEN
I
Q
K
A
A
E
R
L
A
E
L
V
PE
A
R
I
A
I
G
H
G
QMR
E
R
E
L
E
R
V
M
N
D
F
H
H
QRFN
V
L
V
C
TTIIETGIDIPTAN
T
I
I
I
ERADHFG
L
A
Q
L
H
Q
L
R
G
R
V
G
R
S
H
H
Q
A
Y
A
W
LLTPHPKAMT
T
D
A
Q
K
R
L
E
A
I
A
S
LEDLGA
G
F
A
L
A
T
H
D
L
E
I
R
G
A
G
E
L
L
G
E
E
Q
S
G
S
M
E
T
IG
F
S
L
Y
M
E
L
L
E
N
A
V
D
A
L
K
A
GREPSLEDLTSQQ
T
E
V
E
LR
M
P
S
L
L
P
DDFIPD
V
N
T
R
L
S
F
Y
K
R
I
A
S
AKT
E
N
E
L
E
E
I
K
V
E
L
I
D
R
FGLLP
D
P
A
R
T
L
L
D
I
A
R
L
R
Q
Q
A
Q
K
L
GIR
K
L
E
G
N
EK
G
G
V
I
E
F
A
EKNHVN
P
A
W
L
I
G
L
L
Q
KQPQH
Y
R
L
D
G
PT
R
L
K
F
I
Q
DLSE
R
K
T
R
I
E
W
V
R
Q
F
M
R
E
L
E
E
N
AI
61
HHSearch
33.91
23%
-147
- C3 -
-
2V1X
1
RECQ1_HUMAN
A:
[266-377]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
G
Q
S
G
I
I
Y
C
F
S
Q
K
D
S
E
Q
V
T
V
S
L
Q
N
L
G
I
H
A
G
A
Y
--
H
A
N
L
E
P
E
D
K
T
T
V
H
R
K
W
S
A
N
E
I
Q
V
V
V
A
T
V
A
F
G
M
G
I
D
K
P
D
V
R
F
V
I
H
H
S
-----
M
S
K
S
M
E
N
Y
Y
Q
E
S
G
R
A
G
R
-
D
D
M
K
------
A
D
C
I
L
Y
Y
G
F
---
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
32.93
40%
-193
- C3 -
-
3RRM
1
DBP5_YEAST
A:
[246-319]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
I
I
F
V
A
T
K
K
T
A
N
V
L
Y
G
K
L
K
S
E
G
H
E
V
S
I
L
--
H
G
D
L
Q
T
Q
E
R
D
R
L
I
D
D
F
R
E
G
R
S
K
V
L
I
T
T
N
------
D
I
P
T
V
S
M
V
V
N
Y
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
59
HHSearch
32.36
23%
-139
* C3 *
-
4U7D
-
RECQ1_HUMAN
C:
[266-374]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
G
Q
S
G
I
I
Y
C
F
S
Q
K
D
S
E
Q
V
T
V
S
L
Q
N
L
G
I
H
A
G
A
Y
--
H
A
N
L
E
P
E
D
K
T
T
V
H
R
K
W
S
A
N
E
I
Q
V
V
V
A
T
V
A
F
G
M
G
I
D
K
P
D
V
R
F
V
I
H
H
S
-----
M
S
K
S
M
E
N
Y
Y
Q
E
S
G
R
A
G
R
-
D
D
M
K
------
A
D
C
I
L
Y
Y
G
F
---
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
62
HHSearch
32.28
22%
-153
- C3 -
-
4LJY
1
PRP5_YEAST
A:
[320-427]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
A
K
A
I
I
F
V
S
S
Q
N
I
C
D
F
I
S
K
K
L
L
N
A
G
I
V
T
C
A
I
--
H
A
G
K
P
Y
Q
E
R
L
M
N
L
E
K
F
K
R
E
K
N
S
I
L
L
C
T
E
V
L
S
R
G
L
N
V
P
E
V
S
L
V
I
I
Y
N
-----
A
V
K
T
F
A
Q
Y
V
H
T
T
G
R
T
A
R
-
G
S
R
S
------
G
T
A
I
T
L
L
L
H
---
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------