@TOME V2.3
(Nov 2016)
Ref.
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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 : PF07714_JAK3_HUMAN: (2014-10-13 )
MAPPSEETPLIPQRSCSLLSTEAGALHVLLPARGPGPPQRLSFSFGDHLAEDLCVQAAKASGILPVYHSLFALATEDLSCWFPPSHIFSVEDASTQVLLYRIRFYFPNWFGLEKCHRFGLRKDLASAILDLPVLEHLFAQHRSDLVSGRLPVGLSLKEQGECLSLAVLDLARMAREQAQRPGELLKTVSYKACLPPSLRDLIQGLSFVTRRRIRRTVRRALRRVAACQADRHSLMAKYIMDLERLDPAGAAETFHVGLPGALGGHDGLGLLRVAGDGGIAWTQGEQEVLQPFCDFPEIVDISIKQAPRVGPAGEHRLVTVTRTDNQILEAEFPGLPEALSFVALVDGYFRLTTDSQHFFCKEVAPPRLLEEVAEQCHGPITLDFAINKLKTGGSRPGSYVLRRSPQDFDSFLLTVCVQNPLGPDYKGCLIRRSPTGTFLLVGLSRPHSSLRELLATCWDGGLHVDGVAVTLTSCCIPRPKEKSNLIVVQRGHSPPTSSLVQPQSQYQLSQMTFHKIPADSLEWHENLGHGSFTKIYRGCRHEVVDGEARKTEVLLKVMDAKHKNCMESFLEAASLMSQVSYRHLVLLHGVCMAGDSTMVQEFVHLGAIDMYLRKRGHLVPASWKLQVVKQLAYALNYLEDKGLPHGNVSARKVLLAREGADGSPPFIKLSDPGVSPAVLSLEMLTDRIPWVAPECLREAQTLSLEADKWGFGATVWEVFSGVTMPISALDPAKKLQFYEDRQQLPAPKWTELALLIQQCMAYEPVQRPSFRAVIRDLNSLISSDYELLSDPTPGALAPRDGLWNGAQLYACQDPTIFEERHLKYISQLGKGNFGSVELCRYDPLGDNTGALVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLDASRLLLYSSQICKGMEYLGSRRCVHRDLAARNILVESEAHVKIADFGLAKLLPLDKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGCERDVPALCRLLELLEEGQRLPAPPACPAEVHELMKLCWAPSPQDRPSFSALGPQLDMLWSGSRGCETHAFTAHPEGKHHSLSFS
Atome Classification :
(17 SA)
.........10........20........30........40........50........60........70........80........90........100.......110.......120.......130.......140.......150.......160.......170.......180.......190.......200.......210.......220.......230.......240.......250.......260.......270.......280.......290.......300.......310.......320.......330.......340.......350.......360.......370.......380.......390.......400.......410.......420.......430.......440.......450.......460.......470.......480.......490.......500.......510.......520.......530.......540...-....550.......560.......570.......580.......590...-....600.......610.......620.......630.......640.......650.......--660.......670.......680.......690.......700.......710.......720.......730.......740.......750.......760.......770.......780.......790.......800.......810.......820.......830.......840.......850......-.860.......870.......880.......890.......900.......910.......920.......930.......940.......950.......960.......970.......980.......990.......1000......1010......1020......1030......1040.....-.1050......1060......1070......1080......1090......1100......1110......1120.
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MAPPSEETPLIPQRSCSLLSTEA
G
A
L
H
V
L
LPARGPGPPQ
R
L
S
F
S
F
G
D
H
L
A
E
D
L
C
V
Q
A
A
KASG
I
L
P
V
Y
H
S
L
F
A
L
A
TEDL
S
C
WFPPS
H
I
F
SVEDAS
T
Q
V
L
L
Y
R
I
R
F
YFPNWF
G
L
E
K
C
H
R
FG
L
R
K
D
L
A
S
A
I
L
D
L
P
V
L
E
H
L
F
A
Q
H
R
S
D
L
VSGRLPVGLSLKEQGE
C
L
S
L
A
V
L
D
L
A
R
M
A
R
E
Q
A
QR
P
G
E
L
L
K
T
VSYKACL
P
P
S
L
R
D
L
I
Q
G
L
S
F
V
T
R
R
R
I
R
R
T
V
R
R
A
L
R
R
V
A
A
C
Q
A
D
R
H
S
L
M
A
K
Y
I
M
D
L
E
RLDPAGAA
E
T
F
H
VGLPGALGGHDG
L
G
L
L
R
V
AGDG
G
I
AWTQG
E
Q
E
V
L
Q
P
FCDFP
E
I
V
D
I
S
IKQAPRVGPAGE
H
R
L
V
T
V
TRTDN
Q
I
L
EAEFPG
L
P
E
A
L
S
F
V
A
L
VD
G
Y
F
R
L
TTDSQ
H
F
F
C
K
EVA
P
P
R
L
L
E
E
V
A
E
QCHG
P
I
T
L
D
F
A
I
N
K
L
KTGGSRPG
S
Y
V
L
RRSP
Q
D
F
D
S
F
L
L
T
V
C
VQNPLGPDYK
G
C
L
I
RRSPT
G
T
F
L
L
V
GLSR
P
H
S
S
L
R
E
L
L
A
T
CWDG
G
L
H
VD
G
V
A
V
T
L
T
S
CCIPRPKEKS
N
L
I
V
V
QRGHSPPTSSLVQPQSQY
Q
L
S
Q
M
T
F
HKIPAD
S
L
E
W
H
ENLGH
G
S
F
T
K
I
Y
R
G
CRHEVVD-GE
A
R
K
T
E
V
L
L
K
V
M
D
A
K
H
K
N
C
M
E
S
F
L
E
A
A
S
L
M
S
Q
V
S
Y
R
H
L
V
L
L
HGVCMAG
D
-
S
T
M
V
Q
E
F
V
H
L
G
A
I
D
M
Y
L
R
KRGHLVP
A
S
W
K
L
Q
V
V
K
Q
L
A
Y
A
L
N
Y
L
E
DKGLPHGNVS
A
R
K
V
L
L
A
REG--ADGSP
P
F
I
K
LSDPGVS
P
A
V
L
S
L
E
M
L
T
DRIPWV
A
P
E
C
L
R
E
A
Q
T
L
SLEADKWGF
G
A
T
V
W
E
V
FSGVTMPISAL
D
P
A
K
K
L
Q
F
Y
E
D
R
Q
QLPA
P
K
W
T
E
L
A
L
L
I
Q
Q
C
MAYEPVQR
P
S
F
R
A
V
I
R
D
L
N
S
L
I
S
S
D
Y
E
LLSDPTPGALAPRDGLWNG
A
Q
L
Y
ACQDP
T
I
F
E
E
R
H
L
K
Y
I
S
Q
LGKGNFGS
V
E
L
C
R
YDPLGDNT
G
A
L
V
A
V
K
Q
L
Q-HSGP
D
Q
Q
R
D
F
Q
R
E
I
Q
I
L
K
A
L
H
S
D
F
I
V
K
YRGVSYGP
G
R
Q
S
L
R
L
V
M
E
YLP
S
G
C
L
R
D
F
L
Q
R
H
R
A
RL
D
A
S
R
L
L
L
Y
S
S
Q
I
C
K
G
M
E
Y
L
GS
R
R
C
V
H
R
D
L
A
AR
N
I
L
VESEA
H
V
K
I
A
D
FG
L
A
K
LLPLDK
D
Y
Y
V
V
REPGQS
P
I
F
W
YA
P
E
SLS
D
N
I
F
SRQS
D
V
W
S
F
G
V
V
L
Y
E
L
F
T
Y
CDKSCS
P
S
A
E
F
L
R
M
MGCER
D
V
P
A
L
C
-
R
L
L
E
L
L
EEGQRLPAPPA
C
P
A
E
V
H
E
L
M
K
L
CWAPSPQDRPSFSALGPQ
L
D
MLWSGSRGCET
H
A
F
TAHPEGKHHSLSFS
2
PsiBlast_PDB
76.05
99%
-104
- C1 -
3LXL
1
A:
[17-301]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
T
I
F
E
E
R
H
L
K
Y
I
S
Q
L
G
K
G
N
F
G
S
V
E
L
C
R
Y
D
P
L
G
D
N
T
G
A
L
V
A
V
K
Q
L
Q
-
H
S
G
P
D
Q
Q
R
D
F
Q
R
E
I
Q
I
L
K
A
L
H
S
D
F
I
V
K
Y
R
G
V
S
Y
G
P
G
R
Q
S
L
R
L
V
M
E
Y
L
P
S
G
C
L
R
D
F
L
Q
R
H
R
A
R
L
D
A
S
R
L
L
L
Y
S
S
Q
I
C
K
G
M
E
Y
L
G
S
R
R
C
V
H
R
D
L
A
A
R
N
I
L
V
E
S
E
A
H
V
K
I
A
D
F
G
L
A
K
L
L
P
L
D
K
D
Y
Y
V
V
R
E
P
G
Q
S
P
I
F
W
Y
A
P
E
S
L
S
D
N
I
F
S
R
Q
S
D
V
W
S
F
G
V
V
L
Y
E
L
F
T
Y
C
D
K
S
C
S
P
S
A
E
F
L
R
M
M
G
----
V
P
A
L
S
-
R
L
L
E
L
L
E
E
G
Q
R
L
P
A
P
P
A
C
P
A
E
V
H
E
L
M
K
L
C
W
A
P
S
P
Q
D
R
P
S
F
S
A
L
G
P
Q
L
D
M
L
--------------------------
8
PsiBlast_PDB
75.57
99%
-105
- C1 -
4I6Q
2
A:
[5-292]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
I
F
E
E
R
H
L
K
Y
I
S
Q
L
G
K
G
N
F
G
S
V
E
L
C
R
Y
D
P
L
G
D
N
T
G
A
L
V
A
V
K
Q
L
Q
-
H
S
G
P
D
Q
Q
R
D
F
Q
R
E
I
Q
I
L
K
A
L
H
S
D
F
I
V
K
Y
R
G
V
S
Y
------
L
R
L
V
M
E
Y
L
P
S
G
C
L
R
D
F
L
Q
R
H
R
A
R
L
D
A
S
R
L
L
L
Y
S
S
Q
I
C
K
G
M
E
Y
L
G
S
R
R
C
V
H
R
D
L
A
A
R
N
I
L
V
E
S
E
A
H
V
K
I
A
D
F
G
L
A
K
L
L
P
L
D
K
D
Y
Y
V
V
R
E
P
G
Q
S
P
I
F
W
Y
A
P
E
S
L
S
D
N
I
F
S
R
Q
S
D
V
W
S
F
G
V
V
L
Y
E
L
F
T
Y
C
D
K
S
C
S
P
S
A
E
F
L
R
M
M
-----
V
P
A
L
S
-
R
L
L
E
L
L
E
E
G
Q
R
L
P
A
P
P
A
C
P
A
E
V
H
E
L
M
K
L
C
W
A
P
S
P
Q
D
R
P
S
F
S
A
L
G
P
Q
L
D
M
L
W
S
G
S
----------------------
5
PsiBlast_PDB
75.14
99%
-103
- C1 -
4HVG
1
A:
[4-293]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
T
I
F
E
E
R
H
L
K
Y
I
S
Q
L
G
K
G
N
F
G
S
V
E
L
C
R
Y
D
P
L
G
D
N
T
G
A
L
V
A
V
K
Q
L
Q
-
H
S
G
P
D
Q
Q
R
D
F
Q
R
E
I
Q
I
L
K
A
L
H
S
D
F
I
V
K
Y
R
G
V
S
Y
G
P
----
L
R
L
V
M
E
Y
L
P
S
G
C
L
R
D
F
L
Q
R
H
R
A
R
L
D
A
S
R
L
L
L
Y
S
S
Q
I
C
K
G
M
E
Y
L
G
S
R
R
C
V
H
R
D
L
A
A
R
N
I
L
V
E
S
E
A
H
V
K
I
A
D
F
G
L
A
K
L
L
P
L
D
K
D
Y
Y
V
V
R
E
P
G
Q
S
P
I
F
W
Y
A
P
E
S
L
S
D
N
I
F
S
R
Q
S
D
V
W
S
F
G
V
V
L
Y
E
L
F
T
Y
C
D
K
S
C
S
P
S
A
E
F
L
R
M
M
-----
V
P
A
L
S
-
R
L
L
E
L
L
E
E
G
Q
R
L
P
A
P
P
A
C
P
A
E
V
H
E
L
M
K
L
C
W
A
P
S
P
Q
D
R
P
S
F
S
A
L
G
P
Q
L
D
M
L
W
S
G
S
R
---------------------
7
PsiBlast_PDB
74.60
99%
-107
- C1 -
4HVI
1
A:
[5-291]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
I
F
E
E
R
H
L
K
Y
I
S
Q
L
G
K
G
N
F
G
S
V
E
L
C
R
Y
D
P
L
G
D
N
T
G
A
L
V
A
V
K
Q
L
Q
---
G
P
D
Q
Q
R
D
F
Q
R
E
I
Q
I
L
K
A
L
H
S
D
F
I
V
K
Y
R
G
V
S
Y
------
L
R
L
V
M
E
Y
L
P
S
G
C
L
R
D
F
L
Q
R
H
R
A
R
L
D
A
S
R
L
L
L
Y
S
S
Q
I
C
K
G
M
E
Y
L
G
S
R
R
C
V
H
R
D
L
A
A
R
N
I
L
V
E
S
E
A
H
V
K
I
A
D
F
G
L
A
K
L
L
P
L
D
K
D
Y
Y
V
V
R
E
P
G
Q
S
P
I
F
W
Y
A
P
E
S
L
S
D
N
I
F
S
R
Q
S
D
V
W
S
F
G
V
V
L
Y
E
L
F
T
Y
C
D
K
S
C
S
P
S
A
E
F
L
R
M
M
-----
V
P
A
L
S
-
R
L
L
E
L
L
E
E
G
Q
R
L
P
A
P
P
A
C
P
A
E
V
H
E
L
M
K
L
C
W
A
P
S
P
Q
D
R
P
S
F
S
A
L
G
P
Q
L
D
M
L
W
S
G
-----------------------
6
PsiBlast_PDB
74.07
99%
-107
- C1 -
4HVH
1
A:
[4-292]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
T
I
F
E
E
R
H
L
K
Y
I
S
Q
L
G
K
G
N
F
G
S
V
E
L
C
R
Y
D
P
L
G
D
N
T
G
A
L
V
A
V
K
Q
L
Q
-
H
S
G
P
D
Q
Q
R
D
F
Q
R
E
I
Q
I
L
K
A
L
H
S
D
F
I
V
K
Y
R
G
V
S
Y
------
L
R
L
V
M
E
Y
L
P
S
G
C
L
R
D
F
L
Q
R
H
R
A
R
L
D
A
S
R
L
L
L
Y
S
S
Q
I
C
K
G
M
E
Y
L
G
S
R
R
C
V
H
R
D
L
A
A
R
N
I
L
V
E
S
E
A
H
V
K
I
A
D
F
G
L
A
K
L
L
P
L
D
K
D
Y
Y
V
V
R
E
P
G
Q
S
P
I
F
W
Y
A
P
E
S
L
S
D
N
I
F
S
R
Q
S
D
V
W
S
F
G
V
V
L
Y
E
L
F
T
Y
C
D
K
S
C
S
P
S
A
E
F
L
R
M
M
-----
V
P
A
L
S
-
R
L
L
E
L
L
E
E
G
Q
R
L
P
A
P
P
A
C
P
A
E
V
H
E
L
M
K
L
C
W
A
P
S
P
Q
D
R
P
S
F
S
A
L
G
P
Q
L
D
M
L
W
S
G
S
----------------------
4
PsiBlast_PDB
72.82
99%
-105
- C1 -
4HVD
2
?
A:
[5-291]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
I
F
E
E
R
H
L
K
Y
I
S
Q
L
G
K
G
N
F
G
S
V
E
L
C
R
Y
D
P
L
G
D
N
T
G
A
L
V
A
V
K
Q
L
Q
-
H
S
G
P
D
Q
Q
R
D
F
Q
R
E
I
Q
I
L
K
A
L
H
S
D
F
I
V
K
Y
R
G
V
S
Y
------
L
R
L
V
M
E
Y
L
P
S
G
C
L
R
D
F
L
Q
R
H
R
A
R
L
D
A
S
R
L
L
L
Y
S
S
Q
I
C
K
G
M
E
Y
L
G
S
R
R
C
V
H
R
D
L
A
A
R
N
I
L
V
E
S
E
A
H
V
K
I
A
D
F
G
L
A
K
L
L
P
L
D
K
D
Y
Y
V
V
R
E
P
G
Q
S
P
I
F
W
Y
A
P
E
S
L
S
D
N
I
F
S
R
Q
S
D
V
W
S
F
G
V
V
L
Y
E
L
F
T
Y
C
D
K
S
C
S
P
S
A
E
F
L
R
M
M
-----
V
P
A
L
S
-
R
L
L
E
L
L
E
E
G
Q
R
L
P
A
P
P
A
C
P
A
E
V
H
E
L
M
K
L
C
W
A
P
S
P
Q
D
R
P
S
F
S
A
L
G
P
Q
L
D
M
L
W
S
G
-----------------------
10
PsiBlast_PDB
68.30
61%
-103
* C1 *
4BBF
2
JAK2_HUMAN
A:
[5-290]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
T
Q
F
E
E
R
H
L
K
F
L
Q
Q
L
G
K
G
N
F
G
S
V
E
M
C
R
Y
D
P
L
Q
D
N
T
G
E
V
V
A
V
K
K
L
Q
-
H
S
T
E
E
H
L
R
D
F
E
R
E
I
E
I
L
K
S
L
Q
H
D
N
I
V
K
Y
K
G
V
C
Y
S
A
G
R
R
N
L
K
L
I
M
E
Y
L
P
Y
G
S
L
R
D
Y
L
Q
K
H
K
E
R
I
D
H
I
K
L
L
Q
Y
T
S
Q
I
C
K
G
M
E
Y
L
G
T
K
R
Y
I
H
R
N
L
A
T
R
N
I
L
V
E
N
E
N
R
V
K
I
G
D
F
G
L
T
K
V
L
P
Q
D
K
E
Y
Y
K
V
K
E
P
G
E
S
P
I
F
W
Y
A
P
E
S
L
T
E
S
K
F
S
V
A
S
D
V
W
S
F
G
V
V
L
Y
E
L
F
T
Y
I
E
K
S
K
S
P
P
A
E
F
M
R
M
I
G
N
D
K
Q
G
Q
M
I
V
F
H
L
I
E
L
L
K
N
N
G
R
L
P
R
P
D
G
C
P
D
E
I
Y
M
I
M
T
E
C
W
N
N
N
V
N
Q
R
P
S
F
R
D
L
A
L
R
V
D
Q
I
--------------------------
1
PsiBlast_PDB
67.26
99%
-103
- C1 -
3LXK
1
A:
[18-301]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
I
F
E
E
R
H
L
K
Y
I
S
Q
L
G
K
G
N
F
G
S
V
E
L
C
R
Y
D
P
L
G
D
N
T
G
A
L
V
A
V
K
Q
L
Q
-
H
S
G
P
D
Q
Q
R
D
F
Q
R
E
I
Q
I
L
K
A
L
H
S
D
F
I
V
K
Y
R
G
V
S
Y
G
P
G
R
Q
S
L
R
L
V
M
E
Y
L
P
S
G
C
L
R
D
F
L
Q
R
H
R
A
R
L
D
A
S
R
L
L
L
Y
S
S
Q
I
C
K
G
M
E
Y
L
G
S
R
R
C
V
H
R
D
L
A
A
R
N
I
L
V
E
S
E
A
H
V
K
I
A
D
F
G
L
A
K
L
L
P
L
D
K
D
Y
Y
V
V
R
E
P
G
Q
S
P
I
F
W
Y
A
P
E
S
L
S
D
N
I
F
S
R
Q
S
D
V
W
S
F
G
V
V
L
Y
E
L
F
T
Y
C
D
K
S
C
S
P
S
A
E
F
L
R
M
M
-----
V
P
A
L
S
-
R
L
L
E
L
L
E
E
G
Q
R
L
P
A
P
P
A
C
P
A
E
V
H
E
L
M
K
L
C
W
A
P
S
P
Q
D
R
P
S
F
S
A
L
G
P
Q
L
D
M
L
--------------------------
9
PsiBlast_PDB
58.15
61%
-102
- C1 -
4BBE
2
JAK2_HUMAN
A:
[5-290]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
T
Q
F
E
E
R
H
L
K
F
L
Q
Q
L
G
K
G
N
F
G
S
V
E
M
C
R
Y
D
P
L
Q
D
N
T
G
E
V
V
A
V
K
K
L
Q
-
H
S
T
E
E
H
L
R
D
F
E
R
E
I
E
I
L
K
S
L
Q
H
D
N
I
V
K
Y
K
G
V
C
Y
S
A
G
R
R
N
L
K
L
I
M
E
Y
L
P
Y
G
S
L
R
D
Y
L
Q
K
H
K
E
R
I
D
H
I
K
L
L
Q
Y
T
S
Q
I
C
K
G
M
E
Y
L
G
T
K
R
Y
I
H
R
N
L
A
T
R
N
I
L
V
E
N
E
N
R
V
K
I
G
D
F
G
L
T
K
V
L
P
Q
D
K
E
Y
Y
K
V
K
E
P
G
E
S
P
I
F
W
Y
A
P
E
S
L
T
E
S
K
F
S
V
A
S
D
V
W
S
F
G
V
V
L
Y
E
L
F
T
Y
I
E
K
S
K
S
P
P
A
E
F
M
R
M
I
G
N
D
K
Q
G
Q
M
I
V
F
H
L
I
E
L
L
K
N
N
G
R
L
P
R
P
D
G
C
P
D
E
I
Y
M
I
M
T
E
C
W
N
N
N
V
N
Q
R
P
S
F
R
D
L
A
L
R
V
D
Q
I
--------------------------
11
PsiBlast_PDB
41.84
61%
-99
- C1 -
3UGC
1
A:
[6-289]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
F
E
E
R
H
L
K
F
L
Q
Q
L
G
K
G
N
F
G
S
V
E
M
C
R
Y
D
P
L
Q
D
N
T
G
E
V
V
A
V
K
K
L
Q
-
H
S
T
E
E
H
L
R
D
F
E
R
E
I
E
I
L
K
S
L
Q
H
D
N
I
V
K
Y
K
G
V
C
Y
S
A
G
R
R
N
L
K
L
I
M
E
Y
L
P
Y
G
S
L
R
D
Y
L
Q
K
H
K
E
R
I
D
H
I
K
L
L
Q
Y
T
S
Q
I
C
K
G
M
E
Y
L
G
T
K
R
Y
I
H
R
D
L
A
T
R
N
I
L
V
E
N
E
N
R
V
K
I
G
D
F
G
L
T
K
-------------
P
G
E
S
P
I
F
W
Y
A
P
E
S
L
T
E
S
K
F
S
V
A
S
D
V
W
S
F
G
V
V
L
Y
E
L
F
T
Y
I
E
K
S
K
S
P
P
A
E
F
M
R
M
I
G
N
D
K
Q
G
Q
M
I
V
F
H
L
I
E
L
L
K
N
N
G
R
L
P
R
P
D
G
C
P
D
E
I
Y
M
I
M
T
E
C
W
N
N
N
V
N
Q
R
P
S
F
R
D
L
A
L
R
V
D
Q
I
--------------------------
20
PsiBlast_PDB
36.14
50%
-105
- C1 -
3NYX
3
A:
[8-296]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
T
V
F
H
K
R
Y
L
K
K
I
R
D
L
G
E
G
H
F
G
K
V
S
L
Y
C
Y
D
P
T
N
D
--
G
E
M
V
A
V
K
A
L
K
A
D
C
G
P
Q
H
R
S
G
W
K
Q
E
I
D
I
L
R
T
L
Y
H
E
H
I
I
K
Y
K
G
C
C
E
D
Q
-
E
K
S
L
Q
L
V
M
E
Y
V
P
L
G
S
L
R
D
Y
L
P
R
H
S
I
G
L
--
A
Q
L
L
L
F
A
Q
Q
I
C
E
G
M
A
Y
L
H
S
Q
H
Y
I
H
R
N
L
A
A
R
N
V
L
L
D
N
D
R
L
V
K
I
G
D
F
G
L
A
K
A
V
P
E
G
H
E
Y
Y
R
V
R
E
D
G
D
S
P
V
F
W
Y
A
P
E
C
L
K
E
Y
K
F
Y
Y
A
S
D
V
W
S
F
G
V
T
L
Y
E
L
L
T
H
C
D
S
S
Q
S
P
P
T
K
F
L
E
L
I
G
I
A
Q
G
Q
M
T
V
L
-
R
L
T
E
L
L
E
R
G
E
R
L
P
R
P
D
K
C
P
C
E
V
Y
H
L
M
K
N
C
W
E
T
E
A
S
F
R
P
T
F
E
N
L
I
P
I
L
K
T
V
H
E
K
Y
R
---------------------
16
PsiBlast_PDB
34.25
50%
-91
- C1 -
4GII
1
A:
[9-296]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
V
F
H
K
R
Y
L
K
K
I
R
D
L
G
E
G
H
F
G
K
V
S
L
Y
C
Y
D
P
T
N
D
G
T
G
E
M
V
A
V
K
A
L
K
A
D
A
G
P
Q
H
R
S
G
W
K
Q
E
I
D
I
L
R
T
L
Y
H
E
H
I
I
K
Y
K
G
C
C
E
D
A
G
A
A
S
L
Q
L
V
M
E
Y
V
P
L
G
S
L
R
D
Y
L
P
R
H
S
I
G
L
--
A
Q
L
L
L
F
A
Q
Q
I
C
E
G
M
A
Y
L
H
A
Q
H
Y
I
H
R
N
L
A
A
R
N
V
L
L
D
N
D
R
L
V
K
I
G
D
F
G
L
A
K
A
V
P
E
G
H
E
Y
Y
R
V
R
E
D
G
D
S
P
V
F
W
Y
A
P
E
C
L
K
E
Y
K
F
Y
Y
A
S
D
V
W
S
F
G
V
T
L
Y
E
L
L
T
H
C
D
S
S
Q
S
P
P
T
K
F
L
E
L
I
G
I
A
Q
G
Q
M
T
V
L
-
R
L
T
E
L
L
E
R
G
E
R
L
P
R
P
D
K
C
P
A
E
V
Y
H
L
M
K
N
C
W
E
T
E
A
S
F
R
P
T
F
E
N
L
I
P
I
L
K
T
V
H
E
K
Y
R
---------------------
18
PsiBlast_PDB
34.24
50%
-92
- C1 -
4GJ3
1
A:
[9-296]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
V
F
H
K
R
Y
L
K
K
I
R
D
L
G
E
G
H
F
G
K
V
S
L
Y
C
Y
D
P
T
N
D
G
T
G
E
M
V
A
V
K
A
L
K
A
D
A
G
P
Q
H
R
S
G
W
K
Q
E
I
D
I
L
R
T
L
Y
H
E
H
I
I
K
Y
K
G
C
C
E
D
A
G
A
A
S
L
Q
L
V
M
E
Y
V
P
L
G
S
L
R
D
Y
L
P
R
H
S
I
G
L
--
A
Q
L
L
L
F
A
Q
Q
I
C
E
G
M
A
Y
L
H
A
Q
H
Y
I
H
R
N
L
A
A
R
N
V
L
L
D
N
D
R
L
V
K
I
G
D
F
G
L
A
K
A
V
P
E
G
H
E
Y
Y
R
V
R
E
D
G
D
S
P
V
F
W
Y
A
P
E
C
L
K
E
Y
K
F
Y
Y
A
S
D
V
W
S
F
G
V
T
L
Y
E
L
L
T
H
C
D
S
S
Q
S
P
P
T
K
F
L
E
L
I
G
I
A
Q
G
Q
M
T
V
L
-
R
L
T
E
L
L
E
R
G
E
R
L
P
R
P
D
K
C
P
A
E
V
Y
H
L
M
K
N
C
W
E
T
E
A
S
F
R
P
T
F
E
N
L
I
P
I
L
K
T
V
H
E
K
Y
R
---------------------
17
PsiBlast_PDB
32.40
50%
-91
- C1 -
4GJ2
1
A:
[9-296]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
V
F
H
K
R
Y
L
K
K
I
R
D
L
G
E
G
H
F
G
K
V
S
L
Y
C
Y
D
P
T
N
D
G
T
G
E
M
V
A
V
K
A
L
K
A
D
A
G
P
Q
H
R
S
G
W
K
Q
E
I
D
I
L
R
T
L
Y
H
E
H
I
I
K
Y
K
G
C
C
E
D
A
G
A
A
S
L
Q
L
V
M
E
Y
V
P
L
G
S
L
R
D
Y
L
P
R
H
S
I
G
L
--
A
Q
L
L
L
F
A
Q
Q
I
C
E
G
M
A
Y
L
H
A
Q
H
Y
I
H
R
N
L
A
A
R
N
V
L
L
D
N
D
R
L
V
K
I
G
D
F
G
L
A
K
A
V
P
E
G
H
E
Y
Y
R
V
R
E
D
G
D
S
P
V
F
W
Y
A
P
E
C
L
K
E
Y
K
F
Y
Y
A
S
D
V
W
S
F
G
V
T
L
Y
E
L
L
T
H
C
D
S
S
Q
S
P
P
T
K
F
L
E
L
I
G
I
A
Q
G
Q
M
T
V
L
-
R
L
T
E
L
L
E
R
G
E
R
L
P
R
P
D
K
C
P
A
E
V
Y
H
L
M
K
N
C
W
E
T
E
A
S
F
R
P
T
F
E
N
L
I
P
I
L
K
T
V
H
E
K
Y
R
---------------------
15
PsiBlast_PDB
31.91
50%
-95
- C1 -
4GVJ
1
A:
[8-296]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
T
V
F
H
K
R
Y
L
K
K
I
R
D
L
G
E
G
H
F
G
K
V
S
L
Y
C
Y
D
P
T
N
D
G
T
G
E
M
V
A
V
K
A
L
K
A
D
A
G
P
Q
H
R
S
G
W
K
Q
E
I
D
I
L
R
T
L
Y
H
E
H
I
I
K
Y
K
G
C
C
E
D
A
G
A
A
S
L
Q
L
V
M
E
Y
V
P
L
G
S
L
R
D
Y
L
P
R
H
S
I
G
L
--
A
Q
L
L
L
F
A
Q
Q
I
C
E
G
M
A
Y
L
H
A
Q
H
Y
I
H
R
D
L
A
A
R
N
V
L
L
D
N
D
R
L
V
K
I
G
D
F
G
L
A
K
A
V
P
E
G
H
E
Y
Y
R
V
R
E
D
G
D
S
P
V
F
W
Y
A
P
E
C
L
K
E
Y
K
F
Y
Y
A
S
D
V
W
S
F
G
V
T
L
Y
E
L
L
T
H
C
D
S
S
Q
S
P
P
T
K
F
L
E
L
I
G
I
A
Q
G
Q
M
T
V
L
-
R
L
T
E
L
L
E
R
G
E
R
L
P
R
P
D
K
C
P
A
E
V
Y
H
L
M
K
N
C
W
E
T
E
A
S
F
R
P
T
F
E
N
L
I
P
I
L
K
T
V
H
E
K
Y
R
---------------------
19
PsiBlast_PDB
29.65
50%
-90
- C1 -
4GIH
1
A:
[9-296]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
V
F
H
K
R
Y
L
K
K
I
R
D
L
G
E
G
H
F
G
K
V
S
L
Y
C
Y
D
P
T
N
D
G
T
G
E
M
V
A
V
K
A
L
K
A
D
A
G
P
Q
H
R
S
G
W
K
Q
E
I
D
I
L
R
T
L
Y
H
E
H
I
I
K
Y
K
G
C
C
E
D
A
G
A
A
S
L
Q
L
V
M
E
Y
V
P
L
G
S
L
R
D
Y
L
P
R
H
S
I
G
L
--
A
Q
L
L
L
F
A
Q
Q
I
C
E
G
M
A
Y
L
H
A
Q
H
Y
I
H
R
N
L
A
A
R
N
V
L
L
D
N
D
R
L
V
K
I
G
D
F
G
L
A
K
A
V
P
E
G
H
E
Y
Y
R
V
R
E
D
G
D
S
P
V
F
W
Y
A
P
E
C
L
K
E
Y
K
F
Y
Y
A
S
D
V
W
S
F
G
V
T
L
Y
E
L
L
T
H
C
D
S
S
Q
S
P
P
T
K
F
L
E
L
I
G
I
A
Q
G
Q
M
T
V
L
-
R
L
T
E
L
L
E
R
G
E
R
L
P
R
P
D
K
C
P
A
E
V
Y
H
L
M
K
N
C
W
E
T
E
A
S
F
R
P
T
F
E
N
L
I
P
I
L
K
T
V
H
E
K
Y
R
---------------------
13
PsiBlast_PDB
22.68
56%
-89
- C1 -
4FVP
2
A:
[1-274]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
F
H
K
I
R
N
E
D
L
I
F
N
E
S
L
G
Q
G
T
F
T
K
I
F
K
G
V
R
R
E
V
G
D
Y
G
Q
L
H
E
T
E
V
L
L
K
V
L
D
K
A
H
R
N
Y
S
E
S
F
F
E
A
A
S
M
M
S
K
L
S
H
K
H
L
V
L
N
Y
G
V
C
V
C
G
D
E
N
I
L
V
Q
E
F
V
K
F
G
S
L
D
T
Y
L
K
K
N
K
N
C
I
N
I
L
W
K
L
E
V
A
K
Q
L
A
A
A
M
H
F
L
E
E
N
T
L
I
H
G
N
V
C
A
K
N
I
L
L
I
R
E
E
DR
K
T
G
N
P
P
F
I
K
L
S
D
P
G
I
S
I
T
V
L
P
K
D
I
L
Q
E
R
I
P
W
V
P
P
E
C
I
E
N
P
K
N
L
N
L
A
T
D
K
W
S
F
G
T
T
L
W
E
I
C
S
G
G
D
K
P
L
S
A
L
D
S
Q
R
K
L
Q
F
Y
E
D
R
H
Q
L
P
A
P
K
A
A
E
L
A
N
L
I
N
N
C
M
D
Y
E
P
D
H
R
P
S
F
R
A
I
I
R
D
L
N
S
L
F
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------