@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 : jhp_1011: (2015-12-20 )
MNKENKKVEKKELSRILIANRGEIALRAIQTIQEMGKESIAIYSIADKDAHYLNTANAKVCIGGAKSSESYLNIPAIISAAELFEADAIFPGYGFLSENQNFVEICSHHSLEFIGPSAKVMALMSDKAKAKIVMKEAGMPVIEGSDGLLKSYQEAEEIADKIGYPVIIKAAAGGGGRGMRVVGDKSKLKNLYLAAETEALSAFGDGSVYLEKFINKPKHIEVQILADKHGNVIHVGERDCSVQRRQQKLIEETPAVVLEESVRKRLLETAIKAAKYIGYVGAGTFEFLLDSNMKDFYFMEMNTRLQVEHTISEMVSGLNLIEWMIKIAQGEELPKQESFSLKGHAIECRITAEDPKKFYPSPGKITEWIAPGGVNVRLDSHAHANYVVPTNYDSMIGKLIVWGENRERAIAKMKRALKEFKVEGIKTTIPFHIEMLENADFRQAKIHTKYLEENF
Atome Classification :
(47 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...------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MNK
E
N
K
K
V
E
K
K
E
L
S
R
I
L
IANR
G
E
I
A
L
R
A
I
Q
T
I
Q
E
MGKE
S
I
A
I
Y
S
IADKDA
H
Y
LNTAN
A
K
V
C
IGGAKSSESYLN
I
P
A
I
I
S
A
A
E
L
F
EADAIFPGYGFLSENQ
N
F
V
E
I
C
S
HHS
L
E
FIGP
S
A
K
V
M
A
L
MSDKA
K
A
K
I
V
M
KEAGM
P
-
V
IEGS--
D
G
L
L
-
K
S
Y
Q
E
-
A
E
E
I
A
D
KIGY
P
V
I
I
K
A
AAGGGGRG
M
R
VVG
D
K
S
K
L
K
N
L
Y
L
A
AE
T
E
A
L
SAFGD
G
S
V
Y
L
E
K
F
INKP
K
H
I
E
V
Q
I
L
ADKHG
N
V
I
H
VGERD
C
S
V
Q
R
R
Q
Q
K
L
I
E
ET
P
A
V
V
L
E
E
S
V
R
K
R
L
L
E
T
A
I
K
A
A
K
Y
I
G
Y
VGA
G
T
F
E
F
L
L
DSNM
K
D
F
Y
F
M
EMN
T
R
L
Q
V
E
H
T
I
S
E
M
V
S
G
L
N
L
I
E
W
M
I
K
IAQGEELP---K-Q-E-S-FSLKG
H
A
I
E
C
R
I
TAE
D
P
-
K
K-FYPSPGKI
T
E
W
IAPG
G
V
N
V
R
LDSHAHA
N
Y
V
VPT
N
Y
D
S
M
I
G
K
L
I
V
WGE
N
R
E
R
A
I
A
K
M
K
R
A
L
K
E
F
KVEGI
K
T
T
I
P
F
H
I
E
MLENADF
R
Q
A
K
I
H
T
K
Y
L
EENF------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
115
HHSearch
89.56
66%
-91
- C1 -
3OUZ
15
?
A:
[2-446]
--------
N
A
M
E
I
K
S
I
L
I
A
N
R
G
E
I
A
L
R
A
L
R
T
I
K
E
M
G
K
K
A
I
C
V
Y
S
E
A
D
K
D
A
L
Y
L
K
Y
A
D
A
S
I
C
I
G
K
A
R
S
S
E
S
Y
L
N
I
P
A
I
I
A
A
A
E
I
A
E
A
D
A
I
F
P
G
Y
G
F
L
S
E
N
Q
N
F
V
E
I
C
A
K
H
N
I
K
F
I
G
P
S
V
E
A
M
N
L
M
S
D
K
S
K
A
K
Q
V
M
Q
R
A
G
V
P
-
V
I
P
G
S
--
D
G
A
L
-
A
G
A
E
A
-
A
K
K
L
A
K
E
I
G
Y
P
V
I
L
K
A
A
A
G
G
G
G
R
G
M
R
V
V
E
N
E
K
D
L
E
K
A
Y
W
S
A
E
S
E
A
M
T
A
F
G
D
G
T
M
Y
M
E
K
Y
I
Q
N
P
R
H
I
E
V
Q
V
I
G
D
S
F
G
N
V
I
H
V
G
E
R
D
C
S
M
Q
R
R
H
Q
K
L
I
E
E
S
P
A
I
L
L
D
E
K
T
R
T
R
L
H
E
T
A
I
K
A
A
K
A
I
G
Y
E
G
A
G
T
F
E
F
L
V
D
K
N
-
L
D
F
Y
F
I
E
M
N
T
R
L
Q
V
E
H
C
V
S
E
M
V
S
G
I
D
I
I
E
Q
M
I
K
V
A
E
G
Y
A
L
P
---
S
-
Q
-
E
-
S
-
I
K
L
N
G
H
S
I
E
C
R
I
T
A
E
D
S
-
K
T
-
F
L
P
S
P
G
K
I
T
K
Y
I
P
P
A
G
R
N
V
R
M
E
S
H
C
Y
Q
D
Y
S
V
P
A
Y
Y
D
S
M
I
G
K
L
V
V
W
A
E
D
R
N
K
A
I
A
K
M
K
V
A
L
D
E
L
L
I
S
G
I
K
T
T
K
D
F
H
L
S
M
M
E
N
P
D
F
I
N
N
N
Y
D
T
N
Y
L
A
R
H
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
89.42
64%
-96
- C1 -
3OUZ
15
?
A:
[5-443]
-----------
E
I
K
S
I
L
I
A
N
R
G
E
I
A
L
R
A
L
R
T
I
K
E
M
G
K
K
A
I
C
V
Y
S
E
A
D
K
D
A
L
Y
L
K
Y
A
D
A
S
I
C
I
G
K
A
R
S
S
E
S
Y
L
N
I
P
A
I
I
A
A
A
E
I
A
E
A
D
A
I
F
P
G
Y
G
F
L
S
E
N
Q
N
F
V
E
I
C
A
K
H
N
I
K
F
I
G
P
S
V
E
A
M
N
L
M
S
D
K
S
K
A
K
Q
V
M
Q
R
A
G
V
P
-
V
I
P
G
S
--
D
G
A
L
-
A
G
A
E
A
-
A
K
K
L
A
K
E
I
G
Y
P
V
I
L
K
A
A
A
G
G
G
G
R
G
M
R
V
V
E
N
E
K
D
L
E
K
A
Y
W
S
A
E
S
E
A
M
T
A
F
G
D
G
T
M
Y
M
E
K
Y
I
Q
N
P
R
H
I
E
V
Q
V
I
G
D
S
F
G
N
V
I
H
V
G
E
R
D
C
S
M
Q
R
R
H
Q
K
L
I
E
E
S
P
A
I
L
L
D
E
K
T
R
T
R
L
H
E
T
A
I
K
A
A
K
A
I
G
Y
E
G
A
G
T
F
E
F
L
V
D
K
N
L
-
D
F
Y
F
I
E
M
N
T
R
L
Q
V
E
H
C
V
S
E
M
V
S
G
I
D
I
I
E
Q
M
I
K
V
A
E
G
Y
A
L
P
---
S
-
Q
-
E
-
S
-
I
K
L
N
G
H
S
I
E
C
R
I
T
A
E
D
S
-
K
T
-
F
L
P
S
P
G
K
I
T
K
Y
I
P
P
A
G
R
N
V
R
M
E
S
H
C
Y
Q
D
Y
S
V
P
A
Y
Y
D
S
M
I
G
K
L
V
V
W
A
E
D
R
N
K
A
I
A
K
M
K
V
A
L
D
E
L
L
I
S
G
I
K
T
T
K
D
F
H
L
S
M
M
E
N
P
D
F
I
N
N
N
Y
D
T
N
Y
L
A
R
H
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
86.84
64%
-95
- C1 -
3OUU
7
?
A:
[5-443]
-----------
E
I
K
S
I
L
I
A
N
R
G
E
I
A
L
R
A
L
R
T
I
K
E
M
G
K
K
A
I
C
V
Y
S
E
A
D
K
D
A
L
Y
L
K
Y
A
D
A
S
I
C
I
G
K
A
R
S
S
E
S
Y
L
N
I
P
A
I
I
A
A
A
E
I
A
E
A
D
A
I
F
P
G
Y
G
F
L
S
E
N
Q
N
F
V
E
I
C
A
K
H
N
I
K
F
I
G
P
S
V
E
A
M
N
L
M
S
D
K
S
K
A
K
Q
V
M
Q
R
A
G
V
P
-
V
I
P
G
S
--
D
G
A
L
-
A
G
A
E
A
-
A
K
K
L
A
K
E
I
G
Y
P
V
I
L
K
A
A
A
G
G
G
G
R
G
M
R
V
V
E
N
E
K
D
L
E
K
A
Y
W
S
A
E
S
E
A
M
T
A
F
G
D
G
T
M
Y
M
E
K
Y
I
Q
N
P
R
H
I
E
V
Q
V
I
G
D
S
F
G
N
V
I
H
V
G
E
R
D
C
S
M
Q
R
R
H
Q
K
L
I
E
E
S
P
A
I
L
L
D
E
K
T
R
T
R
L
H
E
T
A
I
K
A
A
K
A
I
G
Y
E
G
A
G
T
F
E
F
L
V
D
K
N
L
-
D
F
Y
F
I
E
M
N
T
R
L
Q
V
E
H
C
V
S
E
M
V
S
G
I
D
I
I
E
Q
M
I
K
V
A
E
G
Y
A
L
P
---
S
-
Q
-
E
-
S
-
I
K
L
N
G
H
S
I
E
C
R
I
T
A
E
D
S
-
K
T
-
F
L
P
S
P
G
K
I
T
K
Y
I
P
P
A
G
R
N
V
R
M
E
S
H
C
Y
Q
D
Y
S
V
P
A
Y
Y
D
S
M
I
G
K
L
V
V
W
A
E
D
R
N
K
A
I
A
K
M
K
V
A
L
D
E
L
L
I
S
G
I
K
T
T
K
D
F
H
L
S
M
M
E
N
P
D
F
I
N
N
N
Y
D
T
N
Y
L
A
R
H
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
85.39
51%
-92
- C1 -
2W6O
2
ACCC_ECOLI
A:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
PsiBlast_CBE
85.31
51%
-90
- C1 -
2W71
2
ACCC_ECOLI
A:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
84.77
51%
-91
- C1 -
2W71
2
ACCC_ECOLI
C:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
84.25
51%
-91
- C1 -
2W6Z
2
ACCC_ECOLI
A:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
PsiBlast_CBE
84.22
51%
-89
- C1 -
2W6N
2
ACCC_ECOLI
B:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
84.22
51%
-90
- C1 -
2W6P
1
ACCC_ECOLI
A:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
PsiBlast_CBE
84.19
51%
-92
- C1 -
3G8D
3
ACCC_ECOLI
B:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
A
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
PsiBlast_CBE
83.81
51%
-89
- C1 -
2W6M
2
ACCC_ECOLI
B:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
PsiBlast_CBE
83.77
51%
-89
- C1 -
2W6Q
2
ACCC_ECOLI
B:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
83.69
51%
-90
- C1 -
2W6N
2
ACCC_ECOLI
A:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
83.56
51%
-89
- C1 -
2W70
2
ACCC_ECOLI
B:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
83.56
51%
-94
- C1 -
4HR7
5
ACCC_ECOLI
A:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
---
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
83.44
51%
-90
- C1 -
2V5A
2
ACCC_ECOLI
A:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
83.34
51%
-90
- C1 -
2W70
2
ACCC_ECOLI
A:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
54
PsiBlast_CBE
83.32
51%
-89
* C1 *
3RV4
10
ACCC_ECOLI
A:
[5-447]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
E
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
83.16
51%
-93
- C1 -
2VR1
2
ACCC_ECOLI
A:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
--
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
PsiBlast_CBE
83.12
51%
-90
- C1 -
1DV2
1
ACCC_ECOLI
B:
[5-447]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
K
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
83.11
51%
-89
- C1 -
2W6Q
2
ACCC_ECOLI
A:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
PsiBlast_CBE
83.07
51%
-90
- C1 -
2V59
1
ACCC_ECOLI
B:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
82.99
51%
-89
- C1 -
2W6M
2
ACCC_ECOLI
A:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
82.91
51%
-91
- C1 -
2V59
1
ACCC_ECOLI
A:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
82.88
51%
-87
- C1 -
3JZI
1
ACCC_ECOLI
B:
[23-465]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
82.85
51%
-88
- C1 -
3JZF
1
ACCC_ECOLI
B:
[23-465]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
PsiBlast_CBE
82.74
51%
-89
- C1 -
3G8C
4
ACCC_ECOLI
B:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
82.74
51%
-88
- C1 -
2V58
2
ACCC_ECOLI
A:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
PsiBlast_CBE
82.25
51%
-91
- C1 -
2J9G
3
ACCC_ECOLI
B:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
--
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
---
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
PsiBlast_CBE
82.22
51%
-90
- C1 -
3RV3
3
ACCC_ECOLI
B:
[5-447]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
PsiBlast_CBE
82.11
51%
-92
- C1 -
1DV2
1
ACCC_ECOLI
A:
[5-447]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
K
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
PsiBlast_CBE
82.11
51%
-90
- C1 -
2V58
2
ACCC_ECOLI
B:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
81.99
51%
-91
- C1 -
2J9G
3
ACCC_ECOLI
A:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
--
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
PsiBlast_CBE
81.70
51%
-91
- C1 -
2W6O
2
ACCC_ECOLI
C:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
81.30
51%
-87
- C1 -
2VPQ
4
?
B:
[2-444]
-------------
K
K
V
L
I
A
N
R
G
E
I
A
V
R
I
I
R
A
C
R
D
L
G
I
Q
T
V
A
I
Y
S
E
G
D
K
D
A
L
H
T
Q
I
A
D
E
A
Y
C
V
G
P
T
L
S
K
D
S
Y
L
N
I
P
N
I
L
S
I
A
T
S
T
G
C
D
G
V
H
P
G
Y
G
F
L
A
E
N
A
D
F
A
E
L
C
E
A
C
Q
L
K
F
I
G
P
S
Y
Q
S
I
Q
K
M
G
I
K
D
V
A
K
A
E
M
I
K
A
N
V
P
-
V
V
P
G
S
--
D
G
L
M
-
K
D
V
S
E
-
A
K
K
I
A
K
K
I
G
Y
P
V
I
I
K
A
T
A
G
G
G
G
K
G
I
R
V
A
R
D
E
K
E
L
E
T
G
F
R
M
T
E
Q
E
A
Q
T
A
F
G
N
G
G
L
Y
M
E
K
F
I
E
N
F
R
H
I
E
I
Q
I
V
G
D
S
Y
G
N
V
I
H
L
G
E
R
D
C
T
I
Q
R
R
M
Q
K
L
V
E
E
A
P
S
P
I
L
D
D
E
T
R
R
E
M
G
N
A
A
V
R
A
A
K
A
V
N
Y
E
N
A
G
T
I
E
F
I
Y
D
L
N
D
N
K
F
Y
F
M
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
V
T
G
I
D
L
V
K
L
Q
L
Q
V
A
M
G
D
V
L
P
Y--
K
-
Q
-
E
-
D
-
I
K
L
T
G
H
A
I
E
F
R
I
N
A
E
N
P
Y
K
N
-
F
M
P
S
P
G
K
I
E
Q
Y
L
A
P
G
G
Y
G
V
R
I
E
S
A
C
Y
T
N
Y
T
I
P
P
Y
Y
D
S
M
V
A
K
L
I
I
H
E
P
T
R
D
E
A
I
M
A
G
I
R
A
L
S
E
F
V
V
L
G
I
D
T
T
I
P
F
H
I
K
L
L
N
N
D
I
F
R
S
G
K
F
N
T
N
F
L
E
Q
N
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
81.28
51%
-88
- C1 -
3JZI
1
ACCC_ECOLI
A:
[23-465]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
PsiBlast_CBE
81.23
51%
-87
- C1 -
3G8C
4
ACCC_ECOLI
A:
[2-444]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
PsiBlast_CBE
81.05
51%
-87
- C1 -
3RUP
5
ACCC_ECOLI
A:
[5-447]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
PsiBlast_CBE
81.04
51%
-89
- C1 -
3RV3
3
ACCC_ECOLI
A:
[5-447]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
80.89
51%
-87
- C1 -
2VPQ
4
?
A:
[2-444]
-------------
K
K
V
L
I
A
N
R
G
E
I
A
V
R
I
I
R
A
C
R
D
L
G
I
Q
T
V
A
I
Y
S
E
G
D
K
D
A
L
H
T
Q
I
A
D
E
A
Y
C
V
G
P
T
L
S
K
D
S
Y
L
N
I
P
N
I
L
S
I
A
T
S
T
G
C
D
G
V
H
P
G
Y
G
F
L
A
E
N
A
D
F
A
E
L
C
E
A
C
Q
L
K
F
I
G
P
S
Y
Q
S
I
Q
K
M
G
I
K
D
V
A
K
A
E
M
I
K
A
N
V
P
-
V
V
P
G
S
--
D
G
L
M
-
K
D
V
S
E
-
A
K
K
I
A
K
K
I
G
Y
P
V
I
I
K
A
T
A
G
G
G
G
K
G
I
R
V
A
R
D
E
K
E
L
E
T
G
F
R
M
T
E
Q
E
A
Q
T
A
F
G
N
G
G
L
Y
M
E
K
F
I
E
N
F
R
H
I
E
I
Q
I
V
G
D
S
Y
G
N
V
I
H
L
G
E
R
D
C
T
I
Q
R
R
M
Q
K
L
V
E
E
A
P
S
P
I
L
D
D
E
T
R
R
E
M
G
N
A
A
V
R
A
A
K
A
V
N
Y
E
N
A
G
T
I
E
F
I
Y
D
L
N
D
N
K
F
Y
F
M
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
V
T
G
I
D
L
V
K
L
Q
L
Q
V
A
M
G
D
V
L
P
Y--
K
-
Q
-
E
-
D
-
I
K
L
T
G
H
A
I
E
F
R
I
N
A
E
N
P
Y
K
N
-
F
M
P
S
P
G
K
I
E
Q
Y
L
A
P
G
G
Y
G
V
R
I
E
S
A
C
Y
T
N
Y
T
I
P
P
Y
Y
D
S
M
V
A
K
L
I
I
H
E
P
T
R
D
E
A
I
M
A
G
I
R
A
L
S
E
F
V
V
L
G
I
D
T
T
I
P
F
H
I
K
L
L
N
N
D
I
F
R
S
G
K
F
N
T
N
F
L
E
Q
N
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
116
HHSearch
80.43
51%
-84
- C1 -
2VPQ
4
?
A:
[2-444]
-------------
K
K
V
L
I
A
N
R
G
E
I
A
V
R
I
I
R
A
C
R
D
L
G
I
Q
T
V
A
I
Y
S
E
G
D
K
D
A
L
H
T
Q
I
A
D
E
A
Y
C
V
G
P
T
L
S
K
D
S
Y
L
N
I
P
N
I
L
S
I
A
T
S
T
G
C
D
G
V
H
P
G
Y
G
F
L
A
E
N
A
D
F
A
E
L
C
E
A
C
Q
L
K
F
I
G
P
S
Y
Q
S
I
Q
K
M
G
I
K
D
V
A
K
A
E
M
I
K
A
N
V
P
-
V
V
P
G
S
DG
L
M
---
K
D
V
S
E
-
A
K
K
I
A
K
K
I
G
Y
P
V
I
I
K
A
T
A
G
G
G
G
K
G
I
R
V
A
R
D
E
K
E
L
E
T
G
F
R
M
T
E
Q
E
A
Q
T
A
F
G
N
G
G
L
Y
M
E
K
F
I
E
N
F
R
H
I
E
I
Q
I
V
G
D
S
Y
G
N
V
I
H
L
G
E
R
D
C
T
I
Q
R
R
M
Q
K
L
V
E
E
A
P
S
P
I
L
D
D
E
T
R
R
E
M
G
N
A
A
V
R
A
A
K
A
V
N
Y
E
N
A
G
T
I
E
F
I
Y
D
L
N
D
N
K
F
Y
F
M
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
V
T
G
I
D
L
V
K
L
Q
L
Q
V
A
M
G
D
V
L
P
---
Y
-
K
Q
E
-
D
-
I
K
L
T
G
H
A
I
E
F
R
I
N
A
E
N
P
-
Y
K
N
F
M
P
S
P
G
K
I
E
Q
Y
L
A
P
G
G
Y
G
V
R
I
E
S
A
C
Y
T
N
Y
T
I
P
P
Y
Y
D
S
M
V
A
K
L
I
I
H
E
P
T
R
D
E
A
I
M
A
G
I
R
A
L
S
E
F
V
V
L
G
I
D
T
T
I
P
F
H
I
K
L
L
N
N
D
I
F
R
S
G
K
F
N
T
N
F
L
E
Q
N
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
PsiBlast_CBE
80.05
51%
-87
- C1 -
3RUP
6
ACCC_ECOLI
B:
[5-447]
------------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
L
G
D
D
M
D
K
-
N
R
A
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I--
K
-
Q
-
E
-
E
-
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
79.17
50%
-92
- C1 -
4RZQ
2
ACCC_HAEIN
A:
[22-464]
------------
L
E
K
V
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
D
L
K
H
V
L
L
A
D
E
T
I
C
I
G
P
A
P
S
A
K
S
Y
L
N
I
P
A
I
I
A
A
A
E
V
T
G
A
D
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
E
Q
V
E
R
S
G
F
T
F
I
G
P
T
A
D
V
I
R
L
M
G
D
K
V
S
A
I
K
A
M
K
K
A
G
V
P
-
C
V
P
G
S
--
D
G
P
-----
A
K
-
N
K
E
I
A
K
R
I
G
Y
P
I
I
I
K
----------
R
V
V
R
S
E
D
A
L
E
E
S
I
A
M
T
K
A
E
----------
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
T
H
G
N
A
V
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
E
E
V
R
R
D
I
G
S
R
C
A
N
A
C
V
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
E
N
G
--
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
V
K
E
Q
L
R
I
A
A
G
--
L
P
ISF
K
-
Q
-
E
-
D
-
I
K
V
K
G
H
A
M
E
C
R
I
N
A
E
D
P
-
K
T
-
F
L
P
S
P
G
K
V
N
H
L
H
S
P
G
G
L
G
V
R
W
D
S
H
V
Y
G
G
Y
T
V
P
P
H
Y
D
S
M
I
A
K
L
I
T
Y
G
D
T
R
E
V
A
I
R
R
M
Q
N
A
L
S
E
T
I
I
D
G
I
K
T
N
I
P
L
H
E
L
I
L
E
D
E
N
F
Q
K
G
G
T
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
79.06
51%
-86
- C1 -
2VQD
3
ACCC_PSEAE
A:
[2-444]
------------
L
E
K
V
L
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
E
L
M
H
L
S
L
A
D
E
S
V
C
I
G
P
A
P
A
T
Q
S
Y
L
Q
I
P
A
I
I
A
A
A
E
V
T
G
A
T
A
I
H
P
G
Y
G
F
L
A
E
N
A
D
F
A
E
Q
I
E
R
S
G
F
T
F
V
G
P
T
A
E
V
I
R
L
M
G
D
K
V
S
A
K
D
A
M
K
R
A
G
V
P
-
T
V
P
G
S
--
D
G
P
L
-
P
E
D
E
E
T
A
L
A
I
A
R
E
V
G
Y
P
V
I
I
K
A
A
G
G
G
G
G
R
G
M
R
V
V
Y
D
E
S
E
L
I
K
S
A
K
L
T
R
T
E
A
G
A
A
F
G
N
P
M
V
Y
L
E
K
F
L
T
N
P
R
H
V
E
V
Q
V
L
S
D
G
Q
G
N
A
I
H
L
G
D
R
D
C
S
L
Q
R
R
H
Q
K
V
I
E
E
A
P
A
P
G
I
D
E
K
A
R
Q
E
V
F
A
R
C
V
Q
A
C
I
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
E
N
G
R
--
F
Y
F
I
E
M
N
T
R
V
Q
V
E
H
P
V
S
E
M
V
T
G
V
D
I
V
K
E
M
L
R
I
A
S
G
E
K
L
S
I--
R
-
Q
-
E
-
D
-
V
V
I
R
G
H
A
L
E
C
R
I
N
A
E
D
P
-
K
T
-
F
M
P
S
P
G
K
V
K
H
F
H
A
P
G
G
N
G
V
R
V
D
S
H
L
Y
S
G
Y
S
V
P
P
N
Y
D
S
L
V
G
K
V
I
T
Y
G
A
D
R
D
E
A
L
A
R
M
R
N
A
L
D
E
L
I
V
D
G
I
K
T
N
T
E
L
H
K
D
L
V
R
D
A
A
F
C
K
G
G
V
N
I
H
Y
L
E
K
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
101
PsiBlast_CBE
68.96
40%
-90
- C1 -
3VA7
5
?
A:
[28-469]
---------
K
K
P
F
E
T
V
L
I
A
N
R
G
E
I
A
V
R
I
M
K
T
L
K
R
M
G
I
K
S
V
A
V
Y
S
D
P
D
K
Y
S
Q
H
V
T
D
A
D
F
S
V
A
L
H
G
R
T
A
A
E
T
Y
L
D
I
D
K
I
I
N
A
A
K
K
T
G
A
Q
A
I
I
P
G
Y
G
F
L
S
E
N
A
D
F
S
D
R
C
S
Q
E
N
I
V
F
V
G
P
S
G
D
A
I
R
K
L
G
L
K
H
S
A
R
E
I
A
E
R
A
K
V
P
-
L
V
P
----------------------------------------------------------------------------
N
A
R
H
V
E
I
Q
M
M
G
D
G
F
G
K
A
I
A
I
G
E
R
D
C
S
L
Q
R
R
N
Q
K
V
I
E
E
T
P
A
P
N
L
P
E
A
T
R
A
K
M
R
A
A
S
E
R
L
G
S
L
L
K
Y
K
C
A
G
T
V
E
F
I
Y
D
E
Q
R
D
E
F
Y
F
L
E
V
N
A
R
L
Q
V
E
H
P
I
T
E
M
V
T
G
L
D
L
V
E
W
M
L
R
I
A
A
N
D
S
P
D
---
F
-
D
-
N
-
T
K
I
E
V
S
G
A
S
I
E
A
R
L
Y
A
E
N
P
V
K
D
-
F
R
P
S
P
G
Q
L
T
S
V
S
F
P
S
W
--
A
R
V
D
T
W
V
K
K
G
T
N
V
S
A
E
Y
D
P
T
L
A
K
I
I
V
H
G
K
D
R
N
D
A
I
M
K
L
N
Q
A
L
N
E
T
A
V
Y
G
C
I
T
N
I
D
Y
L
R
S
I
A
S
S
K
M
F
K
E
A
K
V
A
T
K
V
L
D
S
F
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
124
HHSearch
68.76
40%
-88
- C1 -
3VA7
5
?
A:
[28-470]
---------
K
K
P
F
E
T
V
L
I
A
N
R
G
E
I
A
V
R
I
M
K
T
L
K
R
M
G
I
K
S
V
A
V
Y
S
D
P
D
K
Y
S
Q
H
V
T
D
A
D
F
S
V
A
L
H
G
R
T
A
A
E
T
Y
L
D
I
D
K
I
I
N
A
A
K
K
T
G
A
Q
A
I
I
P
G
Y
G
F
L
S
E
N
A
D
F
S
D
R
C
S
Q
E
N
I
V
F
V
G
P
S
G
D
A
I
R
K
L
G
L
K
H
S
A
R
E
I
A
E
R
A
K
V
P
L
V
P
-----------------------------------------------------------------------------
N
A
R
H
V
E
I
Q
M
M
G
D
G
F
G
K
A
I
A
I
G
E
R
D
C
S
L
Q
R
R
N
Q
K
V
I
E
E
T
P
A
P
N
L
P
E
A
T
R
A
K
M
R
A
A
S
E
R
L
G
S
L
L
K
Y
K
C
A
G
T
V
E
F
I
Y
D
E
Q
R
D
E
F
Y
F
L
E
V
N
A
R
L
Q
V
E
H
P
I
T
E
M
V
T
G
L
D
L
V
E
W
M
L
R
I
A
A
N
D
S
P
D
---
F
D
N
-
T
-
K
-
I
E
V
S
G
A
S
I
E
A
R
L
Y
A
E
N
P
-
V
K
D
F
R
P
S
P
G
Q
L
T
S
V
S
F
P
S
--
W
A
R
V
D
T
W
V
K
K
G
T
N
V
S
A
E
Y
D
P
T
L
A
K
I
I
V
H
G
K
D
R
N
D
A
I
M
K
L
N
Q
A
L
N
E
T
A
V
Y
G
C
I
T
N
I
D
Y
L
R
S
I
A
S
S
K
M
F
K
E
A
K
V
A
T
K
V
L
D
S
F
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
106
Fugue
65.35
39%
-87
- C1 -
3VA7
10
?
A:
[28-1236]
---------
K
K
P
F
E
T
V
L
I
A
N
R
G
E
I
A
V
R
I
M
K
T
L
K
R
M
G
I
K
S
V
A
V
Y
S
D
P
D
K
Y
S
Q
H
V
T
D
A
D
F
S
V
A
L
H
G
R
T
A
A
E
T
Y
L
D
I
D
K
I
I
N
A
A
K
K
T
G
A
Q
A
I
I
P
G
Y
G
F
L
S
E
N
A
D
F
S
D
R
C
S
Q
------------------------------------------------------------
E
N
I
V
F
V
G
P
S
G
D
A
I
R
K
L
G
L
K
--------------
H
S
A
R
E
I
A
E
R
A
K
V
P
---
L
V
P
N
A
R
H
V
E
I
Q
M
M
G
D
G
F
G
K
A
I
A
I
G
E
R
D
C
S
L
Q
R
R
N
Q
K
V
I
E
E
T
P
A
P
N
L
P
E
A
T
R
A
K
M
R
A
A
S
E
R
L
G
S
L
L
K
Y
K
C
A
G
T
V
E
F
I
Y
D
E
Q
R
D
E
F
Y
F
L
E
V
N
A
R
L
Q
V
E
H
P
I
T
E
M
V
T
G
L
D
L
V
E
W
M
L
R
I
A
A
N
D
S
P
D
---
F
-
D
-
N
T
K
-
I
E
V
S
G
A
S
I
E
A
R
L
Y
A
E
N
P
V
K
D
-
F
R
P
S
P
G
Q
L
T
S
V
S
F
P
S
W
A
--
R
V
D
T
W
V
K
K
G
T
N
V
S
A
E
Y
D
P
T
L
A
K
I
I
V
H
G
K
D
R
N
D
A
I
M
K
L
N
Q
A
L
N
E
T
A
V
Y
G
C
I
T
N
I
D
Y
L
R
S
I
A
S
S
K
M
F
K
E
A
K
V
A
T
K
V
L
D
S
F
D
YKPC
A
F
E
V
LAPGA
N
T
S
V
Q
D
Y
PGRTGYWRIGVPPSGPMD
S
Y
S
F
R
L
A
N
R
V
V
GNNSK
S
P
A
L
E
I
T
L
N
G
P
K
L
L
F
H
T
E
T
V
I
A
V
S
G
G
T
V
S
C
T
L
ND
A
Q
I
A
Q
N
E
P
I
E
V
K
R
G
D
I
L
S
V
G
K
VTVGC
R
A
Y
L
S
I
RG
G
I
D
V
P
E
Y
LGSRSTFAMGNMGGYNGRILKLG
D
V
L
F
L
N
QPELSVSSLPAPDFEPQAAPKSL
L
P
T
L
S
TNK
D
W
K
I
G
V
T
C
GPHGSIDLFK
E
E
Y
I
E
Q
F
F
N
D
K
W
K
V
H
YNSNRF
G
V
R
L
I
G
P
K
P
K
W
ARSDGGEAGLHPSNAH
D
Y
V
Y
S
LGAINFTGD
E
P
V
I
I
T
CDGPSLGGFVCQAVVAEAE
L
W
K
V
G
Q
LTPG
D
T
I
Q
F
V
P
L
S
Y
G
V
A
R
Q
L
K
E
S
Q
D
K
S
I
D
NFEEGSLLELSDDKILPKYENPIL
A
V
L
P
KKSDLS
P
K
V
T
Y
R
Q
A
G
DR
Y
I
L
V
E
Y
G
ELEFD
L
N
I
C
Y
R
I
N
R
L
I
H
Q
V
E
R
H
QTVGIV
E
M
S
Q
G
VR
S
V
L
I
E
F
D
GSKIN
Q
K
A
L
L
K
C
L
I
A
Y
E
S
E
I
Q
F
D
KN
W
N
V
K
S
K
I
F
K
L
P
M
A
F
ED
S
K
T
L
D
C
V
T
R
Y
R
E
TIRSEAPWLPN
N
V
D
F
I
A
D
V
N
DID
R
N
D
V
K
N
M
L
Y
S
A
K
F
M
V
LGLGDVFLGSPCAVPLDPRH
R
Y
L
G
T
K
Y
NPSRTYTARG
V
V
G
I
G
GM
Y
M
C
I
YNAEGSPGGYQLV
G
R
T
I
TAWDKLVIGDHPIDHPWLLTPF
D
Q
V
E
F
Y
P
V
T
E
E
E
L
E
V
I
I
E
D
N
D
N
GKFKID
V
E
E
S
I
F
D
H
K
E
Y
L
A
W
I
N
E
N
I
D
S
I
V
A
F
Q
E
A
QGG
E
K
A
D
E
F
A
R
L
I
Q
VANAELKKSEEYPDDAE
L
L
Y
S
E
Y
T
G
R
FWKPVAAVG
D
H
V
E
AGDGVIIIEAMKTE
M
V
V
G
A
T
K
S
G
K
VYKILHKNG
D
M
V
E
AGDLVAVIV