@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 : Lmo1415: (2016-03-24 )
MKIGIDKIGFYTPAFYVDMVELAEARNIDPNKFTIGIGQDKMAFAPITQDSVTMGANAALQILDEEDLKKIDLVILATESGIDESKAGAVYIHRLLGIQPFSRAIEIKEACYGATAGINLAKDYVAKHPDSKVLVIGSDIARYGLATGGEATQGAGAVAMVIAADPRCITLEDDNVFYTEDIMDFWRPVYSEYACVEGKYSTEQYIHFFQTIWEKYSAKFGKNLEDFAAICFHLPYTKMGKKALDTIIETAPSDVQEKLLENYRLSTLYSRNVGNIYTGSLYLSFISLLDNQPDLQAEDKIGFFSYGSGAVGEFFHGVLQPDYKKYIRKDEHAELLANRTKLAIPDYETKFKQQLPKDGSIFEVDPASDPAAIVLTGIQEHKRQYIKK
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.......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-MKIGIDKIGFYT
P
A
F
Y
V
D
M
V
E
L
A
E
ARNIDPN
K
F
T
I
G
IGQDK
M
A
F
APITQDSVTMGA
N
A
A
L
Q
IL
D
--
E
E--DL--K--KI
D
L
V
I
L
ATESGIDESKA
G
A
V
Y
I
H
R
L
LGI
Q
--
P
F
S
--
R
A
--
I
E
I
K
E
A
CYGATA
G
I
N
L
A
K
D
Y
V
-A--KHP--D
S
K
-
V
-
L
V
IGS
D
I
A
R
YGLA---T---G-GEATQGA
G
A
V
A
M
V
I
AADP
R
C
I
T
L---E---D-D
N
V
F
Y
T
E
-
D
I
M
D
F
W
----
R
P
-
V
Y
-
S
EY---ACVEGKY
S
T
E
Q
Y
I
H
F
F
Q
T
I
W
E
K
Y
------
S
A
K
FGK-----------
N
------
L
E
D
F
A
A
I
C
F
HL
P
Y
T
K
M
G
K
K
A
-
L
-------------------------------------
D
T
I
I
-------------------------E-------TA
P
----
S
---------------------------
D
V
Q
E
K
L
---
L
E
NY------------------------------R
L
S
T
LYSRNVG
N
I
Y
T
G
S
L
Y
L
S
F
I
S
L
LDNQPD-LQ-AEDK
I
G
F
F
SYGS
G
A
V
G
E
F
F
H
G
VLQP
D
Y
-------
K
K
-----
Y
IR
K
D
E
H
A
E
L
L
ANRTKLAIPD
Y
E
T
K
F
K
Q
QLPKDG
S
-
I
F
E
VDP-----ASD-----
P
A
A
------
I
V
L
T
G
I
Q
-
E
-
H
K
R
Q
Y
IKK
63
Fugue
97.79
54%
-100
- C4 -
1X9E
2
HMGCS_ENTFL
A:
[1-383]
-
M
T
I
G
I
D
K
I
S
F
F
V
P
P
Y
Y
I
D
M
T
A
L
A
E
A
R
N
V
D
P
G
K
F
H
I
G
I
G
Q
D
Q
M
A
V
N
P
I
S
Q
D
I
V
T
F
A
A
N
A
A
E
A
I
L
T
--
K
E
--
D
K
--
E
--
A
I
D
M
V
I
V
G
T
E
S
S
I
D
E
S
K
A
A
A
V
V
L
H
R
L
M
G
I
Q
--
P
F
A
--
R
S
--
F
E
I
K
E
A
C
Y
G
A
T
A
G
L
Q
L
A
K
N
H
V
-
A
--
L
H
P
--
D
K
K
-
V
-
L
V
V
A
A
D
I
A
K
Y
G
L
N
---
S
---
G
-
G
E
P
T
Q
G
A
G
A
V
A
M
L
V
A
S
E
P
R
I
L
A
L
---
K
---
E
-
D
N
V
M
L
T
Q
-
D
I
Y
D
F
W
----
R
P
-
T
G
-
H
P
Y
---
P
M
V
D
G
P
L
S
N
E
T
Y
I
Q
S
F
A
Q
V
W
D
E
H
------
K
K
R
T
G
L
-----------
D
------
F
A
D
Y
D
A
L
A
F
H
I
P
Y
T
K
M
G
K
K
A
-
L
-------------------------------------
L
A
K
I
-------------------------
S
-------
D
Q
T
----
E
---------------------------
A
E
Q
E
R
I
---
L
A
R
Y
------------------------------
E
E
S
I
I
Y
S
R
R
V
G
N
L
Y
T
G
S
L
Y
L
G
L
I
S
L
L
E
N
A
T
T
-
L
T
-
A
G
N
Q
I
G
L
F
S
Y
G
S
G
A
V
A
E
F
F
T
G
E
L
V
A
G
Y
-------
Q
N
-----
H
L
Q
K
E
T
H
L
A
L
L
D
N
R
T
E
L
S
I
A
E
Y
E
A
M
F
A
E
T
L
D
T
D
I
D
-----
Q
T
-----
L
E
D
-----
E
L
K
------
Y
S
I
S
A
I
N
-
N
-
T
V
R
S
Y
R
N
-
1
PsiBlast_PDB
96.30
57%
-105
- C4 -
1X9E
2
HMGCS_ENTFL
A:
[1-358]
-
M
T
I
G
I
D
K
I
S
F
F
V
P
P
Y
Y
I
D
M
T
A
L
A
E
A
R
N
V
D
P
G
K
F
H
I
G
I
G
Q
D
Q
M
A
V
N
P
I
S
Q
D
I
V
T
F
A
A
N
A
A
E
A
I
L
T
--
K
E
--
D
K
--
E
--
A
I
D
M
V
I
V
G
T
E
S
S
I
D
E
S
K
A
A
A
V
V
L
H
R
L
M
G
I
Q
--
P
F
A
--
R
S
--
F
E
I
K
E
A
C
Y
G
A
T
A
G
L
Q
L
A
K
N
H
V
-
A
--
L
H
P
--
D
K
K
-
V
-
L
V
V
A
A
D
I
A
K
Y
G
L
N
---
S
---
G
-
G
E
P
T
Q
G
A
G
A
V
A
M
L
V
A
S
E
P
R
I
L
A
L
---
K
---
E
-
D
N
V
M
L
T
Q
-
D
I
Y
D
F
W
----
R
P
-
T
G
-
H
P
Y
---
P
M
V
D
G
P
L
S
N
E
T
Y
I
Q
S
F
A
Q
V
W
D
E
H
------
K
K
R
T
G
L
-----------
D
------
F
A
D
Y
D
A
L
A
F
H
I
P
Y
T
K
M
G
K
K
A
-
L
-------------------------------------
L
A
K
I
-------------------------
S
-------
D
Q
T
----
E
---------------------------
A
E
Q
E
R
I
---
L
A
R
Y
------------------------------
E
E
S
I
I
Y
S
R
R
V
G
N
L
Y
T
G
S
L
Y
L
G
L
I
S
L
L
E
N
A
T
T
-
L
T
-
A
G
N
Q
I
G
L
F
S
Y
G
S
G
A
V
A
E
F
F
T
G
E
L
V
A
G
Y
-------
Q
N
-----
H
L
Q
K
E
T
H
L
A
L
L
D
N
R
T
E
L
S
I
A
E
Y
E
A
M
F
A
E
T
L
D
T
D
-------------------------------------------------
25
PsiBlast_CBE
96.27
56%
-107
- C4 -
3V4X
2
HMGCS_ENTFL
B:
[6-363]
-
M
T
I
G
I
D
K
I
S
F
F
V
P
P
Y
Y
I
D
M
T
A
L
A
E
A
R
N
V
D
P
G
K
F
H
I
G
I
G
Q
D
Q
M
A
V
N
P
I
S
Q
D
I
V
T
F
A
A
N
A
A
E
A
I
L
T
--
K
E
--
D
K
--
E
--
A
I
D
M
V
I
V
G
T
E
S
S
I
D
E
S
K
A
A
A
V
V
L
H
R
L
M
G
I
Q
--
P
F
A
--
R
S
--
F
E
I
K
E
A
C
Y
G
A
T
A
G
L
Q
L
A
K
N
H
V
-
A
--
L
H
P
--
D
K
K
-
V
-
L
V
V
A
A
D
I
A
K
Y
G
L
N
---
S
---
G
-
G
E
P
T
Q
G
A
G
A
V
A
M
L
V
S
S
E
P
R
I
L
A
L
---
K
---
E
-
D
N
V
M
L
T
Q
-
D
I
Y
D
F
W
----
R
P
-
T
G
-
H
P
Y
---
P
M
V
D
G
P
L
S
N
E
T
Y
I
Q
S
F
A
Q
V
W
D
E
H
------
K
K
R
T
G
L
-----------
D
------
F
A
D
Y
D
A
L
A
F
H
I
P
Y
T
K
M
G
K
K
A
-
L
-------------------------------------
L
A
K
I
-------------------------
S
-------
D
Q
T
----
E
---------------------------
A
E
Q
E
R
I
---
L
A
R
Y
------------------------------
E
E
S
I
I
Y
S
R
R
V
G
N
L
Y
T
G
S
L
Y
L
G
L
I
S
L
L
E
N
A
T
T
-
L
T
-
A
G
N
Q
I
G
L
F
S
Y
G
S
G
A
V
A
E
F
F
T
G
E
L
V
A
G
Y
-------
Q
N
-----
H
L
Q
K
E
T
H
L
A
L
L
D
N
R
T
E
L
S
I
A
E
Y
E
A
M
F
A
E
T
L
D
T
D
-------------------------------------------------
3
PsiBlast_PDB
96.24
56%
-106
- C4 -
2HDB
2
HMGCS_ENTFL
A:
[1-358]
-
M
T
I
G
I
D
K
I
S
F
F
V
P
P
Y
Y
I
D
M
T
A
L
A
E
A
R
N
V
D
P
G
K
F
H
I
G
I
G
Q
D
Q
M
A
V
N
P
I
S
Q
D
I
V
T
F
A
A
N
A
A
E
A
I
L
T
--
K
E
--
D
K
--
E
--
A
I
D
M
V
I
V
G
T
E
S
S
I
D
E
S
K
A
A
A
V
V
L
H
R
L
M
G
I
Q
--
P
F
A
--
R
S
--
F
E
I
K
E
G
C
Y
G
A
T
A
G
L
Q
L
A
K
N
H
V
-
A
--
L
H
P
--
D
K
K
-
V
-
L
V
V
A
A
D
I
A
K
Y
G
L
N
---
S
---
G
-
G
E
P
T
Q
G
A
G
A
V
A
M
L
V
A
S
E
P
R
I
L
A
L
---
K
---
E
-
D
N
V
M
L
T
Q
-
D
I
Y
D
F
W
----
R
P
-
T
G
-
H
P
Y
---
P
M
V
D
G
P
L
S
N
E
T
Y
I
Q
S
F
A
Q
V
W
D
E
H
------
K
K
R
T
G
L
-----------
D
------
F
A
D
Y
D
A
L
A
F
H
I
P
Y
T
K
M
G
K
K
A
-
L
-------------------------------------
L
A
K
I
-------------------------
S
-------
D
Q
T
----
E
---------------------------
A
E
Q
E
R
I
---
L
A
R
Y
------------------------------
E
E
S
I
I
Y
S
R
R
V
G
N
L
Y
T
G
S
L
Y
L
G
L
I
S
L
L
E
N
A
T
T
-
L
T
-
A
G
N
Q
I
G
L
F
S
Y
G
S
G
A
V
A
E
F
F
T
G
E
L
V
A
G
Y
-------
Q
N
-----
H
L
Q
K
E
T
H
L
A
L
L
D
N
R
T
E
L
S
I
A
E
Y
E
A
M
F
A
E
T
L
D
T
D
-------------------------------------------------
21
PsiBlast_CBE
96.02
57%
-107
- C4 -
1YSL
4
HMGCS_ENTFL
B:
[20-377]
-
M
T
I
G
I
D
K
I
S
F
F
V
P
P
Y
Y
I
D
M
T
A
L
A
E
A
R
N
V
D
P
G
K
F
H
I
G
I
G
Q
D
Q
M
A
V
N
P
I
S
Q
D
I
V
T
F
A
A
N
A
A
E
A
I
L
T
--
K
E
--
D
K
--
E
--
A
I
D
M
V
I
V
G
T
E
S
S
I
D
E
S
K
A
A
A
V
V
L
H
R
L
M
G
I
Q
--
P
F
A
--
R
S
--
F
E
I
K
E
A
C
Y
G
A
T
A
G
L
Q
L
A
K
N
H
V
-
A
--
L
H
P
--
D
K
K
-
V
-
L
V
V
A
A
D
I
A
K
Y
G
L
N
---
S
---
G
-
G
E
P
T
Q
G
A
G
A
V
A
M
L
V
A
S
E
P
R
I
L
A
L
---
K
---
E
-
D
N
V
M
L
T
Q
-
D
I
Y
D
F
W
----
R
P
-
T
G
-
H
P
Y
---
P
M
V
D
G
P
L
S
N
E
T
Y
I
Q
S
F
A
Q
V
W
D
E
H
------
K
K
R
T
G
L
-----------
D
------
F
A
D
Y
D
A
L
A
F
H
I
P
Y
T
K
M
G
K
K
A
-
L
-------------------------------------
L
A
K
I
-------------------------
S
-------
D
Q
T
----
E
---------------------------
A
E
Q
E
R
I
---
L
A
R
Y
------------------------------
E
E
S
I
I
Y
S
R
R
V
G
N
L
Y
T
G
S
L
Y
L
G
L
I
S
L
L
E
N
A
T
T
-
L
T
-
A
G
N
Q
I
G
L
F
S
Y
G
S
G
A
V
A
E
F
F
T
G
E
L
V
A
G
Y
-------
Q
N
-----
H
L
Q
K
E
T
H
L
A
L
L
D
N
R
T
E
L
S
I
A
E
Y
E
A
M
F
A
E
T
L
D
T
D
-------------------------------------------------
23
PsiBlast_CBE
95.80
56%
-105
- C4 -
3V4X
1
HMGCS_ENTFL
D:
[6-363]
-
M
T
I
G
I
D
K
I
S
F
F
V
P
P
Y
Y
I
D
M
T
A
L
A
E
A
R
N
V
D
P
G
K
F
H
I
G
I
G
Q
D
Q
M
A
V
N
P
I
S
Q
D
I
V
T
F
A
A
N
A
A
E
A
I
L
T
--
K
E
--
D
K
--
E
--
A
I
D
M
V
I
V
G
T
E
S
S
I
D
E
S
K
A
A
A
V
V
L
H
R
L
M
G
I
Q
--
P
F
A
--
R
S
--
F
E
I
K
E
A
C
Y
G
A
T
A
G
L
Q
L
A
K
N
H
V
-
A
--
L
H
P
--
D
K
K
-
V
-
L
V
V
A
A
D
I
A
K
Y
G
L
N
---
S
---
G
-
G
E
P
T
Q
G
A
G
A
V
A
M
L
V
S
S
E
P
R
I
L
A
L
---
K
---
E
-
D
N
V
M
L
T
Q
-
D
I
Y
D
F
W
----
R
P
-
T
G
-
H
P
Y
---
P
M
V
D
G
P
L
S
N
E
T
Y
I
Q
S
F
A
Q
V
W
D
E
H
------
K
K
R
T
G
L
-----------
D
------
F
A
D
Y
D
A
L
A
F
H
I
P
Y
T
K
M
G
K
K
A
-
L
-------------------------------------
L
A
K
I
-------------------------
S
-------
D
Q
T
----
E
---------------------------
A
E
Q
E
R
I
---
L
A
R
Y
------------------------------
E
E
S
I
I
Y
S
R
R
V
G
N
L
Y
T
G
S
L
Y
L
G
L
I
S
L
L
E
N
A
T
T
-
L
T
-
A
G
N
Q
I
G
L
F
S
Y
G
S
G
A
V
A
E
F
F
T
G
E
L
V
A
G
Y
-------
Q
N
-----
H
L
Q
K
E
T
H
L
A
L
L
D
N
R
T
E
L
S
I
A
E
Y
E
A
M
F
A
E
T
L
D
T
D
-------------------------------------------------
24
PsiBlast_CBE
95.71
56%
-107
- C4 -
3V4X
1
HMGCS_ENTFL
C:
[6-363]
-
M
T
I
G
I
D
K
I
S
F
F
V
P
P
Y
Y
I
D
M
T
A
L
A
E
A
R
N
V
D
P
G
K
F
H
I
G
I
G
Q
D
Q
M
A
V
N
P
I
S
Q
D
I
V
T
F
A
A
N
A
A
E
A
I
L
T
--
K
E
--
D
K
--
E
--
A
I
D
M
V
I
V
G
T
E
S
S
I
D
E
S
K
A
A
A
V
V
L
H
R
L
M
G
I
Q
--
P
F
A
--
R
S
--
F
E
I
K
E
A
C
Y
G
A
T
A
G
L
Q
L
A
K
N
H
V
-
A
--
L
H
P
--
D
K
K
-
V
-
L
V
V
A
A
D
I
A
K
Y
G
L
N
---
S
---
G
-
G
E
P
T
Q
G
A
G
A
V
A
M
L
V
S
S
E
P
R
I
L
A
L
---
K
---
E
-
D
N
V
M
L
T
Q
-
D
I
Y
D
F
W
----
R
P
-
T
G
-
H
P
Y
---
P
M
V
D
G
P
L
S
N
E
T
Y
I
Q
S
F
A
Q
V
W
D
E
H
------
K
K
R
T
G
L
-----------
D
------
F
A
D
Y
D
A
L
A
F
H
I
P
Y
T
K
M
G
K
K
A
-
L
-------------------------------------
L
A
K
I
-------------------------
S
-------
D
Q
T
----
E
---------------------------
A
E
Q
E
R
I
---
L
A
R
Y
------------------------------
E
E
S
I
I
Y
S
R
R
V
G
N
L
Y
T
G
S
L
Y
L
G
L
I
S
L
L
E
N
A
T
T
-
L
T
-
A
G
N
Q
I
G
L
F
S
Y
G
S
G
A
V
A
E
F
F
T
G
E
L
V
A
G
Y
-------
Q
N
-----
H
L
Q
K
E
T
H
L
A
L
L
D
N
R
T
E
L
S
I
A
E
Y
E
A
M
F
A
E
T
L
D
T
D
-------------------------------------------------
22
PsiBlast_CBE
95.67
57%
-104
- C4 -
1X9E
2
HMGCS_ENTFL
B:
[1-358]
-
M
T
I
G
I
D
K
I
S
F
F
V
P
P
Y
Y
I
D
M
T
A
L
A
E
A
R
N
V
D
P
G
K
F
H
I
G
I
G
Q
D
Q
M
A
V
N
P
I
S
Q
D
I
V
T
F
A
A
N
A
A
E
A
I
L
T
--
K
E
--
D
K
--
E
--
A
I
D
M
V
I
V
G
T
E
S
S
I
D
E
S
K
A
A
A
V
V
L
H
R
L
M
G
I
Q
--
P
F
A
--
R
S
--
F
E
I
K
E
A
C
Y
G
A
T
A
G
L
Q
L
A
K
N
H
V
-
A
--
L
H
P
--
D
K
K
-
V
-
L
V
V
A
A
D
I
A
K
Y
G
L
N
---
S
---
G
-
G
E
P
T
Q
G
A
G
A
V
A
M
L
V
A
S
E
P
R
I
L
A
L
---
K
---
E
-
D
N
V
M
L
T
Q
-
D
I
Y
D
F
W
----
R
P
-
T
G
-
H
P
Y
---
P
M
V
D
G
P
L
S
N
E
T
Y
I
Q
S
F
A
Q
V
W
D
E
H
------
K
K
R
T
G
L
-----------
D
------
F
A
D
Y
D
A
L
A
F
H
I
P
Y
T
K
M
G
K
K
A
-
L
-------------------------------------
L
A
K
I
-------------------------
S
-------
D
Q
T
----
E
---------------------------
A
E
Q
E
R
I
---
L
A
R
Y
------------------------------
E
E
S
I
I
Y
S
R
R
V
G
N
L
Y
T
G
S
L
Y
L
G
L
I
S
L
L
E
N
A
T
T
-
L
T
-
A
G
N
Q
I
G
L
F
S
Y
G
S
G
A
V
A
E
F
F
T
G
E
L
V
A
G
Y
-------
Q
N
-----
H
L
Q
K
E
T
H
L
A
L
L
D
N
R
T
E
L
S
I
A
E
Y
E
A
M
F
A
E
T
L
D
T
D
-------------------------------------------------
2
PsiBlast_PDB
95.57
56%
-103
- C4 -
3V4X
2
HMGCS_ENTFL
A:
[6-363]
-
M
T
I
G
I
D
K
I
S
F
F
V
P
P
Y
Y
I
D
M
T
A
L
A
E
A
R
N
V
D
P
G
K
F
H
I
G
I
G
Q
D
Q
M
A
V
N
P
I
S
Q
D
I
V
T
F
A
A
N
A
A
E
A
I
L
T
--
K
E
--
D
K
--
E
--
A
I
D
M
V
I
V
G
T
E
S
S
I
D
E
S
K
A
A
A
V
V
L
H
R
L
M
G
I
Q
--
P
F
A
--
R
S
--
F
E
I
K
E
A
C
Y
G
A
T
A
G
L
Q
L
A
K
N
H
V
-
A
--
L
H
P
--
D
K
K
-
V
-
L
V
V
A
A
D
I
A
K
Y
G
L
N
---
S
---
G
-
G
E
P
T
Q
G
A
G
A
V
A
M
L
V
S
S
E
P
R
I
L
A
L
---
K
---
E
-
D
N
V
M
L
T
Q
-
D
I
Y
D
F
W
----
R
P
-
T
G
-
H
P
Y
---
P
M
V
D
G
P
L
S
N
E
T
Y
I
Q
S
F
A
Q
V
W
D
E
H
------
K
K
R
T
G
L
-----------
D
------
F
A
D
Y
D
A
L
A
F
H
I
P
Y
T
K
M
G
K
K
A
-
L
-------------------------------------
L
A
K
I
-------------------------
S
-------
D
Q
T
----
E
---------------------------
A
E
Q
E
R
I
---
L
A
R
Y
------------------------------
E
E
S
I
I
Y
S
R
R
V
G
N
L
Y
T
G
S
L
Y
L
G
L
I
S
L
L
E
N
A
T
T
-
L
T
-
A
G
N
Q
I
G
L
F
S
Y
G
S
G
A
V
A
E
F
F
T
G
E
L
V
A
G
Y
-------
Q
N
-----
H
L
Q
K
E
T
H
L
A
L
L
D
N
R
T
E
L
S
I
A
E
Y
E
A
M
F
A
E
T
L
D
T
D
-------------------------------------------------
26
PsiBlast_CBE
95.48
56%
-103
- C4 -
2HDB
3
HMGCS_ENTFL
B:
[1-358]
-
M
T
I
G
I
D
K
I
S
F
F
V
P
P
Y
Y
I
D
M
T
A
L
A
E
A
R
N
V
D
P
G
K
F
H
I
G
I
G
Q
D
Q
M
A
V
N
P
I
S
Q
D
I
V
T
F
A
A
N
A
A
E
A
I
L
T
--
K
E
--
D
K
--
E
--
A
I
D
M
V
I
V
G
T
E
S
S
I
D
E
S
K
A
A
A
V
V
L
H
R
L
M
G
I
Q
--
P
F
A
--
R
S
--
F
E
I
K
E
G
C
Y
G
A
T
A
G
L
Q
L
A
K
N
H
V
-
A
--
L
H
P
--
D
K
K
-
V
-
L
V
V
A
A
D
I
A
K
Y
G
L
N
---
S
---
G
-
G
E
P
T
Q
G
A
G
A
V
A
M
L
V
A
S
E
P
R
I
L
A
L
---
K
---
E
-
D
N
V
M
L
T
Q
-
D
I
Y
D
F
W
----
R
P
-
T
G
-
H
P
Y
---
P
M
V
D
G
P
L
S
N
E
T
Y
I
Q
S
F
A
Q
V
W
D
E
H
------
K
K
R
T
G
L
-----------
D
------
F
A
D
Y
D
A
L
A
F
H
I
P
Y
T
K
M
G
K
K
A
-
L
-------------------------------------
L
A
K
I
-------------------------
S
-------
D
Q
T
----
E
---------------------------
A
E
Q
E
R
I
---
L
A
R
Y
------------------------------
E
E
S
I
I
Y
S
R
R
V
G
N
L
Y
T
G
S
L
Y
L
G
L
I
S
L
L
E
N
A
T
T
-
L
T
-
A
G
N
Q
I
G
L
F
S
Y
G
S
G
A
V
A
E
F
F
T
G
E
L
V
A
G
Y
-------
Q
N
-----
H
L
Q
K
E
T
H
L
A
L
L
D
N
R
T
E
L
S
I
A
E
Y
E
A
M
F
A
E
T
L
D
T
D
-------------------------------------------------
4
PsiBlast_PDB
94.87
58%
-107
- C4 -
1XPK
3
?
C:
[2-352]
--
T
I
G
I
D
K
I
N
F
Y
V
P
K
Y
Y
V
D
M
A
K
L
A
E
A
R
Q
V
D
P
N
K
F
L
I
G
I
G
Q
T
E
M
A
V
S
P
V
N
Q
D
I
V
S
M
G
A
N
A
A
K
D
I
I
T
--
D
E
--
D
K
--
K
--
K
I
G
M
V
I
V
A
T
E
S
A
V
D
A
A
K
A
A
A
V
Q
I
H
N
L
L
G
I
Q
--
P
F
A
--
R
C
--
F
E
M
K
E
A
C
Y
A
A
T
P
A
I
Q
L
A
K
D
Y
L
-
A
--
T
R
P
--
N
E
K
-
V
-
L
V
I
A
T
D
T
A
R
Y
G
L
N
---
S
---
G
-
G
E
P
T
Q
G
A
G
A
V
A
M
V
I
A
H
N
P
S
I
L
A
L
---
N
---
E
-
D
A
V
A
Y
T
E
-
D
V
Y
D
F
W
----
R
P
-
T
G
-
H
K
Y
---
P
L
V
D
G
A
L
S
K
D
A
Y
I
R
S
F
Q
Q
S
W
N
E
Y
------
A
K
R
Q
G
K
-----------
S
------
L
A
D
F
A
S
L
C
F
H
V
P
F
T
K
M
G
K
K
A
-
L
-------------------------------------
E
S
I
I
-------------------------
D
-------
N
A
D
----
E
---------------------------
T
T
Q
E
R
L
---
R
S
G
Y
------------------------------
E
D
A
V
D
Y
N
R
Y
V
G
N
I
Y
T
G
S
L
Y
L
S
L
I
S
L
L
E
N
R
-
D
-
L
Q
-
A
G
E
T
I
G
L
F
S
Y
G
S
G
S
V
G
E
F
Y
S
A
T
L
V
E
G
Y
-------
K
D
-----
H
L
D
Q
A
A
H
K
A
L
L
N
N
R
T
E
V
S
V
D
A
Y
E
T
F
F
K
R
------------------------------------------------------
6
PsiBlast_PDB
77.58
27%
-98
- C4 -
2F82
-
?
A:
[5-366]
---
V
G
I
L
A
M
D
I
Y
F
P
P
T
C
V
Q
Q
E
A
L
E
A
H
D
G
A
S
K
G
K
Y
T
I
G
L
G
Q
D
C
L
A
F
C
T
E
L
E
D
V
I
S
M
S
F
N
A
V
T
S
L
L
E
--
K
Y
KI
D
P
--
K
--
Q
I
G
R
L
E
V
G
S
E
T
V
I
D
K
S
K
S
I
K
T
F
L
M
Q
L
F
E
K
C
--
G
N
T
D
V
E
G
--
V
D
S
T
N
A
C
Y
G
G
T
A
A
L
L
N
C
V
N
W
V
-
E
--
S
N
S
W-
D
G
R
-
Y
G
L
V
I
C
T
D
S
A
V
Y
--
A
---
E
---
G
P
A
R
P
T
G
G
A
A
A
I
A
M
L
I
G
P
D
A
P
I
V
F
E
---
S
---
K
-
L
R
G
S
H
M
A
-
H
V
Y
D
F
Y
----
K
P
N
L
A
-
S
E
Y
---
P
V
V
D
G
K
L
S
Q
T
C
Y
L
M
A
L
D
S
C
Y
K
H
L
------
C
N
K
F
E
K
L
EG
K
E
F
-----
S
------
I
N
D
A
D
Y
F
V
F
H
S
P
Y
N
K
L
V
Q
K
S
-
F
A
R
L
L
Y
--------------------------------
N
D
F
L
-------------------------
R
-------
N
A
S
----
S
ID
E
A
A
K
E
K
F
TPYSSLS
L
D
E
S
Y
Q
S
R
D
L
E
K
V
S
Q
Q
L
---
A
K
T
Y
Y
D
A
KV-------------------------
Q
P
T
T
L
V
P
K
Q
V
G
N
M
Y
T
A
S
L
Y
A
A
F
A
S
L
V
H
N
K
H
S
-
D
L
-
A
G
K
R
V
V
M
F
S
Y
G
S
G
S
T
A
T
M
F
--------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
76.87
26%
-79
- C4 -
2WYA
2
HMCS2_HUMAN
A:
[6-458]
---
V
G
I
L
A
L
E
V
Y
F
P
A
Q
Y
V
D
Q
T
D
L
E
K
Y
N
N
V
E
A
G
K
Y
T
V
G
L
G
Q
T
R
M
G
F
C
S
V
Q
E
D
I
N
S
L
C
L
T
V
V
Q
R
L
M
E
--
R
I
--
Q
L
--
P
WD
S
V
G
R
L
E
V
G
T
E
T
I
I
D
K
S
K
A
V
K
T
V
L
M
E
L
F
Q
D
S
--
G
N
T
D
I
E
G
--
I
D
T
T
N
A
C
Y
G
G
T
A
S
L
F
N
A
A
N
W
M
E
S
--
S
S
W
--
D
G
R
Y
A
-
M
V
V
C
G
D
I
A
V
Y
P
-
S
---
G
---
N
-
A
R
P
T
G
G
A
G
A
V
A
M
L
I
G
P
K
A
P
L
A
L
E
---
R
---
G
-
L
R
G
T
H
M
E
-
N
V
Y
D
F
Y
----
K
P
N
L
A
-
S
E
Y
---
P
I
V
D
G
K
L
S
I
Q
C
Y
L
R
A
L
D
R
C
Y
T
S
Y
------
R
K
K
I
Q
N
Q
W
K
Q
A
GSD
R
P
F
T
------
L
D
D
L
Q
Y
M
I
F
H
T
P
F
C
K
M
V
Q
K
S
-
L
-------------------------------------
A
R
L
M
F
N
D
F
---------------------
L
-------
S
A
S
----
S
---------------------------
D
T
Q
T
S
L
YKG
L
E
A
F
GGLKLEDTYTN
K
D
L
D
K
A
L
L
K
A
S
Q
D
M
F
D
K
KT
K
A
S
L
Y
L
S
T
H
N
G
N
M
Y
T
S
S
L
Y
G
C
L
A
S
L
L
S
H
H
S
A
-
Q
E
L
A
G
S
R
I
G
A
F
S
Y
G
S
G
L
A
A
S
F
F
S
F
R
V
S
Q
D
A
APGS
P
L
D
K
L
-----
V
S
S
T
S
D
L
P
K
R
L
A
S
R
-
K
C
V
S
P
E
E
F
T
E
I
M
N
Q
R
E
Q
F
Y
H
-
K
V
N
F
S
P
-----
P
G
D
TNSLF
P
G
T
------
W
Y
L
E
R
V
D
-
E
Q
H
R
R
K
Y
A
R
R
8
PsiBlast_PDB
76.69
27%
-98
- C4 -
2FA0
1
?
A:
[4-365]
---
V
G
I
L
A
M
D
I
Y
F
P
P
T
C
V
Q
Q
E
A
L
E
A
H
D
G
A
S
K
G
K
Y
T
I
G
L
G
Q
D
C
L
A
F
C
T
E
L
E
D
V
I
S
M
S
F
N
A
V
T
S
L
L
E
--
K
Y
KI
D
P
--
K
--
Q
I
G
R
L
E
V
G
S
E
T
V
I
D
K
S
K
S
I
K
T
F
L
M
Q
L
F
E
K
C
--
G
N
T
D
V
E
G
--
V
D
S
T
N
A
C
Y
G
G
T
A
A
L
L
N
C
V
N
W
V
-
E
--
S
N
S
W-
D
G
R
-
Y
G
L
V
I
C
T
D
S
A
V
Y
--
A
---
E
---
G
P
A
R
P
T
G
G
A
A
A
I
A
M
L
I
G
P
D
A
P
I
V
F
E
---
S
---
K
-
L
R
G
S
H
M
A
-
H
V
Y
D
F
Y
----
K
P
N
L
A
-
S
E
Y
---
P
V
V
D
G
K
L
S
Q
T
C
Y
L
M
A
L
D
S
C
Y
K
H
L
------
C
N
K
F
E
K
L
EG
K
E
F
-----
S
------
I
N
D
A
D
Y
F
V
F
H
S
P
Y
N
K
L
V
Q
K
S
-
F
A
R
L
L
Y
--------------------------------
N
D
F
L
-------------------------
R
-------
N
A
S
----
S
ID
E
A
A
K
E
K
F
TPYSSLS
L
D
E
S
Y
Q
S
R
D
L
E
K
V
S
Q
Q
L
---
A
K
T
Y
Y
D
A
KV-------------------------
Q
P
T
T
L
V
P
K
Q
V
G
N
M
Y
T
A
S
L
Y
A
A
F
A
S
L
V
H
N
K
H
S
-
D
L
-
A
G
K
R
V
V
M
F
S
Y
G
S
G
S
T
A
T
M
F
--------------------------------------------------------------------------------------------------------
32
HHSearch
76.42
27%
-74
- C4 -
2F82
-
?
A:
[3-451]
-
K
N
V
G
I
L
A
M
D
I
Y
F
P
P
T
C
V
Q
Q
E
A
L
E
A
H
D
G
A
S
K
G
K
Y
T
I
G
L
G
Q
D
C
L
A
F
C
T
E
L
E
D
V
I
S
M
S
F
N
A
V
T
S
L
L
E
K
Y
K
I
--
D
P
--
K
--
Q
I
G
R
L
E
V
G
S
E
T
V
I
D
K
S
K
S
I
K
T
F
L
M
Q
L
F
E
K
C
GN
T
D
V
--
E
G
--
V
D
S
T
N
A
C
Y
G
G
T
A
A
L
L
N
C
V
N
W
V
-
E
--
S
N
S
WD
G
R
Y
-
G
-
L
V
I
C
T
D
S
A
V
Y
A
E
G
-------
P
-
A
R
P
T
G
G
A
A
A
I
A
M
L
I
G
P
D
A
P
-
I
V
F
---
E
---
S
K
L
R
G
S
H
M
A
-
H
V
Y
D
F
Y
----
K
P
-
N
L
A
S
E
Y
---
P
V
V
D
G
K
L
S
Q
T
C
Y
L
M
A
L
D
S
C
Y
K
H
L
C
N
K
F
E
K
L
E
G
K
E
F
-----------
S
------
I
N
D
A
D
Y
F
V
F
H
S
P
Y
N
K
L
V
Q
K
S
F
A
-------------------------------------
R
L
L
Y
N
D
F
L
R
NASSID
E
A
A
K
E
K
F
TPYSSLS
L
D
E
S
Y
Q
S
R
D
L
E
K
V
S
Q
Q
---------------------------
L
A
K
T
Y
Y
---
D
A
K
V
------------------------------
Q
P
T
T
L
V
P
K
Q
V
G
N
M
Y
T
A
S
L
Y
A
A
F
A
S
L
V
H
N
K
-
H
S
D
L
-
A
G
K
R
V
V
M
F
S
Y
G
S
G
S
T
A
T
M
F
S
L
R
L
C
E
N
Q
-------
S
P
FS
L
S
N
I
A
S
V
M
D
V
G
G
K
L
K
A
R
H
E
Y
A
P
E
K
F
V
E
T
M
K
L
M
E
H
R
Y
G
A
K
E
F
V
T
S
K
EGILD
L
L
A
-----
P
G
T
------
Y
Y
L
K
E
V
D
S
L
-
Y
R
R
F
Y
G
K
K
64
Fugue
74.68
26%
-76
- C4 -
2F82
-
?
A:
[2-451]
A
K
N
V
G
I
L
A
M
D
I
Y
F
P
P
T
C
V
Q
Q
E
A
L
E
A
H
D
G
A
S
K
G
K
Y
T
I
G
L
G
Q
D
C
L
A
F
C
T
E
L
E
D
V
I
S
M
S
F
N
A
V
T
S
L
L
E
--
K
Y
--
K
I
DP
K
--
Q
I
G
R
L
E
V
G
S
E
T
V
I
D
K
S
K
S
I
K
T
F
L
M
Q
L
F
E
K
C
--
G
N
T
--
D
V
E
G
V
D
S
T
N
A
C
Y
G
G
T
A
A
L
L
N
C
V
N
W
V
-
E
SN
S
W
D
--
G
R
Y
-
G
-
L
V
I
C
T
D
S
A
V
Y
-
A
E
---
G
---
P
-
A
R
P
T
G
G
A
A
A
I
A
M
L
I
G
P
D
A
P
I
V
F
E
---
S
---
K
-
L
R
G
S
H
M
A
-
H
V
Y
D
F
Y
----
K
P
N
L
A
-
S
E
Y
---
P
V
V
D
G
K
L
S
Q
T
C
Y
L
M
A
L
D
S
C
Y
K
H
L
------
C
N
K
F
E
K
-----------
L
EG
K
E
F
S
I
N
D
A
D
Y
F
V
F
H
S
P
Y
N
K
L
V
Q
K
S
-
F
A
R
L
L
Y
N
D
F
L
R
NASSID
E
A
A
K
E
K
F
TPYSSLS
L
D
E
S
Y
Q
S
R
D
L
E
-------------------------
K
-------
V
S
Q
----
Q
---------------------------
L
A
K
T
Y
Y
---
D
A
K
V
------------------------------
Q
P
T
T
L
V
P
K
Q
V
G
N
M
Y
T
A
S
L
Y
A
A
F
A
S
L
V
H
N
K
H
S
-
D
L
-
A
G
K
R
V
V
M
F
S
Y
G
S
G
S
T
A
T
M
F
S
L
R
L
C
E
N
Q
S
PFS
L
--
S
N
-----
I
A
S
V
M
D
V
G
G
K
L
K
A
R
H
E
Y
A
P
E
K
F
V
E
T
M
K
L
M
E
H
R
Y
G
A
-
K
E
F
V
T
S
-----
K
E
G
-----
I
L
D
LLAPG
T
Y
Y
L
K
E
V
D
-
S
L
Y
R
R
F
Y
G
K
K
7
PsiBlast_PDB
71.30
27%
-102
- C4 -
2F9A
1
?
A:
[4-365]
---
V
G
I
L
A
M
D
I
Y
F
P
P
T
C
V
Q
Q
E
A
L
E
A
H
D
G
A
S
K
G
K
Y
T
I
G
L
G
Q
D
C
L
A
F
C
T
E
L
E
D
V
I
S
M
S
F
N
A
V
T
S
L
L
E
--
K
Y
KI
D
P
--
K
--
Q
I
G
R
L
E
V
G
S
E
T
V
I
D
K
S
K
S
I
K
T
F
L
M
Q
L
F
E
K
C
--
G
N
T
D
V
E
G
--
V
D
S
T
N
A
C
Y
G
G
T
A
A
L
L
N
C
V
N
W
V
-
E
--
S
N
S
W-
D
G
R
-
Y
G
L
V
I
C
T
D
S
A
V
Y
--
A
---
E
---
G
P
A
R
P
T
G
G
A
A
A
I
A
M
L
I
G
P
D
A
P
I
V
F
E
---
S
---
K
-
L
R
G
S
H
M
A
-
H
V
Y
D
F
Y
----
K
P
N
L
A
-
S
E
Y
---
P
V
V
D
G
K
L
S
Q
T
C
Y
L
M
A
L
D
S
C
Y
K
H
L
------
C
N
K
F
E
K
L
EG
K
E
F
-----
S
------
I
N
D
A
D
Y
F
V
F
H
S
P
Y
N
K
L
V
Q
K
S
-
F
A
R
L
LY---------------------------------------------------------------------------------------------------------------------YDAKV-------------------------
Q
P
T
T
L
V
P
K
Q
V
G
N
M
Y
T
A
S
L
Y
A
A
F
A
S
L
V
H
N
K
H
S
-
D
L
-
A
G
K
R
V
V
M
F
S
Y
G
S
G
S
T
A
T
M
F
--------------------------------------------------------------------------------------------------------
52
HHSearch
64.65
17%
-95
- C4 -
2EBD
-
FABH_AQUAE
A:
[1-309]
-
M
G
T
K
I
I
G
T
G
V
Y
L
P
K
N
V
L
T
N
F
D
L
E
K
I
V
D
T
S
D
E
W
I
T
T
R
T
G
I
K
E
R
R
I
A
K
-
E
E
T
I
T
Y
M
A
T
Q
A
A
K
E
A
L
R
E
A
N
L
--
S
P
--
E
--
E
L
D
L
I
I
L
A
T
L
T
P
Q
K
R
F
P
S
T
A
C
L
V
Q
A
Q
L
K
A
K
---
G
V
--
Y
A
--
F
D
I
S
A
A
C
S
G
F
I
Y
A
L
D
I
A
D
S
F
I
-
K
--
S
G
K
--
A
K
N
-
V
-
L
V
I
G
A
E
K
L
S
E
A
V
D
WED
R
---
S
-
T
C
V
L
F
G
D
G
A
G
A
V
V
V
T
R
S
E
D
K
S
D
I
---
L
---
A
--
T
R
M
Y
A
E
G
S
L
E
E
L
L
----
H
A
-
D
N
-
C
G
Y
---
I
R
M
K
G
R
E
L
F
K
V
A
V
R
S
M
E
E
V
C
R
E
V
------
L
E
K
A
G
V
-----------
K
------
P
E
E
V
S
L
V
I
P
H
Q
A
N
V
R
I
I
N
A
L
-
A
-------------------------------------
E
K
L
N
-------------------------
I
-------
P
-------------------------------------------
K
E
K
V
------------------------------
F
V
---
N
I
Q
K
Y
G
N
T
S
A
A
S
I
P
I
A
L
H
E
A
I
K
E
G
-
K
-
V
K
-
R
G
D
L
I
L
M
T
A
M
G
G
G
L
T
W
G
A
V
L
L
R
Y
----------------------------------------------------------------------------------------------------
44
HHSearch
63.73
18%
-84
- C4 -
1ZOW
-
FABH_STAAW
A:
[1-312]
-
M
N
V
G
I
K
G
F
G
A
Y
A
P
E
K
I
I
D
N
A
Y
F
E
Q
F
L
D
T
S
D
E
W
I
S
K
M
T
G
I
K
E
R
H
W
A
D
D
D
Q
D
T
S
D
L
A
Y
E
A
S
V
K
A
I
A
D
A
G
I
--
Q
P
--
E
--
D
I
D
M
I
I
V
A
T
A
T
G
D
M
P
F
P
T
V
A
N
M
L
Q
E
R
L
G
T
G
---
K
V
--
A
S
--
M
D
Q
L
A
A
C
S
G
F
M
Y
S
M
I
T
A
K
Q
Y
V
-
Q
--
S
G
D
--
Y
H
N
-
I
-
L
V
V
G
A
D
K
L
S
K
I
T
D
LTD
R
---
S
-
T
A
V
L
F
G
D
G
A
G
A
V
I
I
G
E
V
S
E
G
R
G
I
I
S
Y
E
---
M
G
S
D
G
T
G
G
K
-
H
L
Y
--
L
----
D
K
-
D
T
--
G
K
---
L
K
M
N
G
R
E
V
F
K
F
A
V
R
I
M
G
D
A
S
T
R
V
------
V
E
K
A
N
L
-----------
T
------
S
D
D
I
D
L
F
I
P
H
Q
A
N
I
R
I
M
E
S
A
-
R
-------------------------------------
E
R
L
G
-------------------------
I
-------
S
-------------------------------------------
K
D
K
M
------------------------------
S
V
---
S
V
N
K
Y
G
N
T
S
A
A
S
I
P
L
S
I
D
Q
E
L
K
N
G
-
K
-
L
K
-
D
D
D
T
I
V
L
V
G
F
G
G
G
L
T
W
G
A
M
T
I
K
W
G
---------------------------------------------------------------------------------------------------
40
HHSearch
63.69
16%
-85
- C4 -
1UB7
4
?
A:
[2-321]
---
S
G
I
L
A
L
G
A
Y
V
P
E
R
V
M
T
N
A
D
F
E
A
Y
L
D
T
S
D
E
W
I
V
T
R
T
G
I
K
E
R
R
V
A
A
E
D
E
Y
T
S
D
L
A
F
K
A
V
E
D
L
L
R
R
H
P
G
--
A
L
--
E
--
G
V
D
A
V
I
V
A
T
N
T
P
D
A
L
F
P
D
T
A
A
L
V
Q
A
R
F
G
L
K
----
A
--
F
A
--
Y
D
L
L
A
G
C
P
G
W
I
Y
A
L
A
Q
A
H
A
L
V
-
E
--
A
G
L
--
A
Q
K
-
V
-
L
A
V
G
A
E
A
L
S
K
I
I
D
---
W
NDR
A
-
T
A
V
L
F
G
D
G
G
G
A
A
V
V
G
K
V
R
E
G
Y
G
F
---
R
S
F
V
L
G
A
D
G
T
G
A
K
-
E
L
Y
H
A
C
VAPR
L
P
-
D
G
-
T
S
M
K
N
R
L
Y
M
N
G
R
E
V
F
K
F
A
V
R
V
M
N
T
A
T
L
E
A
------
I
E
K
A
G
L
-----------
T
------
P
E
D
I
R
L
F
V
P
H
Q
A
N
L
R
I
I
D
A
A
-
R
-------------------------------------
E
R
L
G
-------------------------
L
-------
P
-------------------------------------------
W
E
R
V
------------------------------
A
V
---
N
V
D
R
Y
G
N
T
S
T
A
S
I
P
L
A
L
K
E
A
V
D
A
G
-
R
-
I
R
-
E
G
D
H
V
L
L
V
S
F
G
A
G
L
T
W
A
A
A
V
L
T
W
G
G
--------------------------------------------------------------------------------------------------