MolProbity Ramachandran analysis

Transcrição

MolProbity Ramachandran analysis
MolProbity Ramachandran analysis
2W49, model 1
General case
180
Isoleucine and valine
180
0 126 GLU
3
6
9
Z
2 141 LYS
5
8
2Z
8
112 ARG
ARG
5 112
9 106
0
3
6
E
P
N
JD
L
M
S
K
IF
G
R
H
O
Q LYS
233
233
233
233SER
SER
SER
SER
Y
1 246
4
7
246 LYS
L
E
M
S
K
IF
G
R
P
N
JD
H
O
Q 246
246
246
246GLN
GLN
GLN
GLN
Psi
2Z
5
8
0
Z
2 102 LEU
5
8
Z
2 136 LEU
5
8
Z
852 132 VAL
Psi
9630 160 VAL
44 GLU
GLU
Y
1 188
4
7
188 ARG
9 62 GLU
0
3
6
Y
1 247
4
7
247 HIS
2 98 LYS
5
Z
8
V
A 152 ASP
9630 107 ASN
0
L
E
M
S
K
IF
G
R
P
N
JD
H
O
QZ
253
253
253
GLU
GLU
GLU
2253
5
8
7 GLU
ARG
L
E
M
S
K
IF
G
R
P
N
JD
H
O
Q 2222GLU
GLU
GLU
GLU
L
E
S
F
D
H
O
M
K
IG
R
P
N
JQ 274
274
274
274
274ILE
ILE
ILE
ILE
ILE
V
A9
0 151
3
6
30 ALA
ALA
Z
2Z
5
8
GLN
2 142
5
8
57 MET
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Psi
0
0
Phi
180
Glycine
180
Psi
0
30 34 GLY
6
9
GLY
Z
852 55 GLY
L
E
M
S
K
IG
R
P
N
JD
H
O
Q
F 242
242
242
242
242LEU
LEU
LEU
LEU
LEU
-180
-180
-180
0
Phi
180
Trans proline
180
-180
0
Phi
180
Phi
180
Cis proline
180
Y
1 191
4
7
191 PRO
Z
2 50 PRO
5
8
Psi
Psi
0
0
Z
2 54 PRO
5
8
-180
-180
-180
89.2% (7764/8704) of all residues were in favored (98%) regions.
F 246 GLN (-18.6, 73.4)
97.7% (8508/8704) of all residues were in allowed (>99.8%) regions.
F 253 GLU (-40.5, -26.2)
F 274 ILE (-23.1, -54.4)
G 2 GLU (-25.3, -50.3)
There were 196 outliers (phi, psi):
0 30 ALA (-58.1, -82.3)
0 34 GLY (162.0, 0.1)
0 62 GLU (-65.7, 15.5)
0 106 LYS (24.4, 93.2)
0 107 ASN (153.9, -12.3)
0 126 GLU (-28.7, 152.5)
0 160 VAL (-28.3, 106.6)
1 188 ARG (-62.8, 21.5)
H 246 GLN (-18.8, 73.5)
H 253 GLU (-40.7, -26.2)
H 274 ILE (-23.0, -54.6)
I 2 GLU (-25.5, -50.1)
I 233 SER (47.9, 90.0)
I 242 LEU (-65.1, -171.2)
54 PRO (-59.3, -160.9)
55 GLY (-59.4, -111.4)
57 MET (-67.7, -105.2)
J 253 GLU (-40.7, -26.2)
J 274 ILE (-22.9, -54.6)
K 2 GLU (-25.5, -50.1)
K 233 SER (47.9, 90.0)
3 34 GLY (161.9, 0.2)
3 62 GLU (-65.6, 15.3)
3 106 LYS (24.3, 93.1)
K 242 LEU (-65.1, -171.2)
K 246 GLN (-18.7, 73.5)
K 253 GLU (-40.7, -26.2)
3 107 ASN (154.0, -12.2)
3 126 GLU (-28.7, 152.4)
3 160 VAL (-28.4, 106.5)
K 274 ILE (-22.9, -54.6)
L 2 GLU (-25.5, -50.3)
L 233 SER (47.9, 89.9)
4 188 ARG (-63.0, 21.6)
4 191 PRO (-34.9, 157.7)
4 246 LYS (26.8, 78.7)
4 247 HIS (-60.4, 5.3)
L 242 LEU (-65.1, -171.3)
L 246 GLN (-18.7, 73.5)
L 253 GLU (-40.5, -26.3)
L 274 ILE (-23.1, -54.5)
5
5
5
M 2 GLU (-25.4, -50.3)
M 233 SER (47.7, 90.0)
M 242 LEU (-65.1, -171.2)
5 54 PRO (-59.3, -160.9)
5 55 GLY (-59.4, -111.5)
5 57 MET (-67.8, -105.1)
5 98 LYS (-49.3, -5.0)
M 246 GLN (-18.7, 73.5)
M 253 GLU (-40.6, -26.2)
M 274 ILE (-23.0, -54.5)
N 2 GLU (-25.4, -50.2)
5 102 LEU (-169.3, -11.8)
5 112 ARG (44.1, 99.0)
5 132 VAL (-156.4, 98.9)
N 233 SER (47.8, 90.1)
N 242 LEU (-65.2, -171.2)
N 246 GLN (-18.8, 73.5)
O 233 SER (47.8, 90.0)
O 242 LEU (-65.1, -171.3)
O 246 GLN (-18.8, 73.6)
O 253 GLU (-40.6, -26.2)
6 107 ASN (154.0, -12.4)
6 126 GLU (-28.6, 152.5)
6 160 VAL (-28.2, 106.5)
O 274 ILE (-23.0, -54.5)
P 2 GLU (-25.6, -50.2)
P 233 SER (47.7, 90.0)
7 188 ARG (-62.8, 21.4)
7 191 PRO (-34.8, 157.7)
7 246 LYS (26.7, 78.8)
7 247 HIS (-60.4, 5.3)
P 242 LEU (-65.1, -171.2)
P 246 GLN (-18.6, 73.4)
P 253 GLU (-40.7, -26.1)
P 274 ILE (-23.0, -54.6)
8
8
8
Q 2 GLU (-25.4, -50.3)
Q 233 SER (47.9, 89.9)
Q 242 LEU (-65.1, -171.3)
8 102 LEU (-169.3, -11.8)
8 112 ARG (44.1, 99.0)
8 132 VAL (-156.4, 98.9)
8 136 LEU (-172.6, -36.5)
8 141 LYS (-22.5, 126.1)
8 142 GLN (-68.3, -102.8)
9 30 ALA (-58.1, -82.3)
9 34 GLY (162.0, 0.2)
9 62 GLU (-65.6, 15.4)
9 106 LYS (24.4, 93.1)
0
N 253 GLU (-40.6, -26.2)
N 274 ILE (-22.9, -54.6)
O 2 GLU (-25.4, -50.3)
6 30 ALA (-58.2, -82.3)
6 34 GLY (161.9, 0.2)
6 62 GLU (-65.5, 15.3)
6 106 LYS (24.2, 93.1)
4 GLU (29.9, 43.2)
7 ARG (-36.0, -30.8)
50 PRO (-36.5, 99.7)
-180
I 246 GLN (-18.7, 73.5)
I 253 GLU (-40.7, -26.1)
I 274 ILE (-23.0, -54.6)
J 2 GLU (-25.6, -50.2)
J 233 SER (47.7, 90.0)
J 242 LEU (-65.1, -171.3)
J 246 GLN (-18.8, 73.5)
2 136 LEU (-172.7, -36.4)
2 141 LYS (-22.4, 126.2)
2 142 GLN (-68.5, -102.8)
3 30 ALA (-58.0, -82.3)
8 54 PRO (-59.3, -160.9)
8 55 GLY (-59.3, -111.5)
8 57 MET (-67.7, -105.1)
8 98 LYS (-49.4, -5.0)
180
G 274 ILE (-22.9, -54.7)
H 2 GLU (-25.5, -50.2)
H 233 SER (47.9, 89.9)
H 242 LEU (-65.2, -171.3)
4 GLU (29.9, 43.0)
7 ARG (-36.0, -30.8)
50 PRO (-36.7, 99.8)
2
2
2
2 98 LYS (-49.4, -5.0)
2 102 LEU (-169.4, -11.8)
2 112 ARG (43.9, 99.2)
2 132 VAL (-156.3, 99.0)
4 GLU (29.9, 43.2)
7 ARG (-35.9, -30.9)
50 PRO (-36.6, 99.7)
Phi
G 233 SER (47.8, 89.9)
G 242 LEU (-65.2, -171.3)
G 246 GLN (-18.8, 73.6)
G 253 GLU (-40.7, -26.1)
1 191 PRO (-34.8, 157.7)
1 246 LYS (26.9, 78.7)
1 247 HIS (-60.3, 5.2)
2
2
2
5 136 LEU (-172.7, -36.5)
5 141 LYS (-22.5, 126.2)
5 142 GLN (-68.4, -102.8)
0
Q 246 GLN (-18.9, 73.6)
Q 253 GLU (-40.6, -26.3)
Q 274 ILE (-22.8, -54.8)
R 2 GLU (-25.5, -50.1)
R 233 SER (47.8, 90.0)
R 242 LEU (-65.2, -171.2)
R 246 GLN (-18.7, 73.5)
R 253 GLU (-40.7, -26.2)
R 274 ILE (-23.0, -54.6)
S 2 GLU (-25.5, -50.3)
S 233 SER (47.9, 89.9)
S 242 LEU (-65.1, -171.3)
S 246 GLN (-18.7, 73.6)
S 253 GLU (-40.4, -26.3)
9 107 ASN (153.9, -12.4)
9 126 GLU (-28.6, 152.5)
9 160 VAL (-28.3, 106.5)
S 274 ILE (-23.1, -54.5)
V 151 ALA (-65.1, -81.8)
V 152 ASP (-40.5, -10.9)
A 151 ALA (-65.1, -81.7)
A 152 ASP (-40.7, -10.8)
D 2 GLU (-25.6, -50.2)
D 233 SER (47.8, 90.0)
Y 188 ARG (-62.7, 21.4)
Y 191 PRO (-34.8, 157.7)
Y 246 LYS (26.8, 78.7)
Y 247 HIS (-60.4, 5.3)
D 242 LEU (-65.3, -171.2)
D 246 GLN (-18.6, 73.4)
D 253 GLU (-40.6, -26.3)
Z 4 GLU (30.0, 43.1)
Z 7 ARG (-36.0, -30.8)
Z 50 PRO (-36.6, 99.8)
D 274 ILE (-23.1, -54.6)
E 2 GLU (-25.4, -50.2)
E 233 SER (47.6, 90.0)
E 242 LEU (-65.2, -171.3)
Z 54 PRO (-59.3, -160.9)
Z 55 GLY (-59.4, -111.4)
Z 57 MET (-67.6, -105.2)
Z 98 LYS (-49.4, -5.0)
E 246 GLN (-18.7, 73.5)
E 253 GLU (-40.6, -26.2)
E 274 ILE (-23.0, -54.6)
Z 102 LEU (-169.4, -11.8)
Z 112 ARG (44.0, 99.0)
Z 132 VAL (-156.2, 99.0)
F 2 GLU (-25.6, -50.1)
F 233 SER (47.8, 90.0)
F 242 LEU (-65.0, -171.3)
Z 136 LEU (-172.7, -36.4)
Z 141 LYS (-22.4, 126.3)
Z 142 GLN (-68.5, -102.7)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)

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