MolProbity Ramachandran analysis

Transcrição

MolProbity Ramachandran analysis
MolProbity Ramachandran analysis
4TP6, model 1
General case
180
M
44 ALA
LYS
Q 70 THR
F 95
F
55 HIS
P 44 SER
RLK
15
LYS
B 34
35THR
ARG
126
LYS
UQLEU
3580ARG
BGLU
19 GLN
B 203 ASN L F24
56
LYS
Q 53 CYS K 52 PHE
M 11 ASP
T 68 HIS
K 15
GLN
B 12 ALA
24
THR
ALA
R LE47O17
THR
18
ASP
HIS
F 86 ARG F 94
3 LYS
CJ 146
92 LEU
ALAN
L 34
CYS
D147
85
ASN GE 130
L 78 SER
LYS
99 ASN
ALA
MET
45 ASN
ARG
NDE 148
64
CYS
NE 62
U 52
E ALA
101 GLU E 12 GLN
E 100 SER
I 120 LYS
F 54 LEU
G 84 THR
D
47
ARG
G 9Q
GLN
L
23
ALA
F
93
LYS
20 SER
ASP
J 89 ARG
ARG
BES 142
8832ASP
D
33
LYS
C 156 ARG
K
127
ARG
L 26 ALA
DT 367 GLN
C 127 ARG
ALA
Q
51
ASN
F
H
33
96
GLU
MET
N 50 THR
M 12 HIS
B 36 ASN
F 14 GLN
S 5 LEU
F 15 SER
R 25 ASP
B 209 ALA
B 120 GLN
L 117 TYR
Psi
QB 126
17 MET
PHE
I 39 PHE
0
BN
ARG
F B 63
17
GLN
13
ARG
222
ARG
EBCB155
ALA
116
ASP
P
24
SER
175
LEU
170
HIS
Isoleucine and valine
180
G 12 ILE
E 123 VAL
Psi
B 34 ALA
S 28 LYS
R 71 THR
HM
49GLN
SER
L 67
43
LYS
GLU
N U 6036
GLN
-180
-180
0
0
T 67 ILE
M 7 ILE
R 21 ILE
R VAL
26 ILE
C 84
B 207
ILE
Q 13 VAL
VAL
NL 114 VAL
I 58 VAL
PQ 425ILE
ILE
Q 76 VAL
J 35 GLN
J 57 VAL
U 53 VAL
F 98 GLU
Phi
B Q4112
ILE
VAL
-180
180
Pre-proline
180
E 105 ILE
I 104 VAL
D
F 91 ARG
D 28 ILE
C 66 VAL
L 934 VAL
ILE
N 34TVAL
D 149 ALA
30 THR
B 220 THR
D 5 LEU O 20LASN
89
ASP
U 13D
I32H
41
ARG
GASP
146
GLU
89
LYS
CYS
I 103
PHE
N 53 ARG
P 80 LYS
M
41 GLU
DARG
175 ALA
E
138
D 23 SER
T 6 SER
B
16
B
PHE
N
194
22
ASP
ALA
CALA
192
N 92 GLU
D
G
10
3LYS
LYS
ARG
J129
91
ASP
D
154
31
LYS
ARGTHR
EIBH
113
141
LEU
LYSSER
N
12
23
LEU
LYS
D ALA
153 SER
CDCFB
89
4B
LYS
51
TYR
ASN
13
166
ASP
E 103 C
THR
D80
O 192
46 HIS
F 92 THR
BN 208
299ARG
ALA
L 76 GLU SK 693
U
ASN
LYS
U D24
GLU
ARG
D 35 GLU
29
ASP
T 41 ALA
U 12 PHE
G
56
LYS
I 53
O
GLU
73
LYS
D
165
ARG
L 77 Q
HIS52 GLU
D 174 ASP
P 77 GLU
N H5954
ARG
ASP
JJ 17
90 LEU
LEU
B 127
ASP
SER
E B
12286
ASN
I 55JVAL
36 VAL
M H 2575
VAL
ILE
-180
0
Phi
180
Glycine
180
E 51 GLY
J 38 GLY
J 42 LEU
B 33 GLY
Psi
Psi
120 GLY
K 78H GLY
I 26 GLY
E 102 GLY
D 37 ALA
M 24 GLY
T 42 GLY
0
B 17 GLY
J 95 GLY
G 82 GLY
E 42 GLY
0
U 40 LYS
U 10 GLU
M 114 LYS
E 158 GLY
B 149 GLY
E 143 GLY
K 120 GLY
F 18 VAL
L 44 LYS
92 GLY
B K
13 GLY
B 124 GLY
-180
-180
-180
0
Phi
180
Trans proline
180
-180
0
Phi
180
Phi
180
Cis proline
180
U 11 PRO
S 30 PRO
H 57 PRO
Psi
Psi
I 23 PRO
C 174 PRO
0
0
N 52 PRO
K 91 PRO
E 57 PRO
J 41 PRO
E 98 PRO
B 193 PRO
K 89 PRO
-180
-180
-180
71.9% (1662/2312) of all residues were in favored (98%) regions.
89.7% (2073/2312) of all residues were in allowed (>99.8%) regions.
There were 239 outliers (phi, psi):
B 12 ALA (-25.3, 128.1)
B 13 GLY (-68.7, -112.4)
B 16 PHE (20.1, -67.9)
B 17 GLY (157.5, 77.6)
B 19 GLN (93.8, 148.7)
B 33 GLY (73.1, 115.2)
B 34 ALA (-168.3, -84.1)
B 35 ARG (-37.6, 159.1)
B 36 ASN (38.6, 26.7)
B 41 ILE (-61.3, -171.6)
B 51 ASN (-46.8, -80.5)
B 63 ARG (-44.5, -18.9)
B 86 SER (-162.0, -57.6)
B 88 ASP (-64.3, 64.2)
B 116 ASP (-35.9, -28.2)
B 120 GLN (109.7, 0.4)
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
C
C
C
C
C
C
C
C
C
C
C
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
E
E
E
E
E
E
E
E
E
E
E
E
E
E
E
E
E
E
E
E
E
E
F
F
F
F
F
F
F
F
F
F
F
F
F
F
F
F
G
G
G
G
G
G
G
G
H
H
H
H
H
H
H
124 GLY (-6.6, -113.3)
126 PHE (-170.1, 45.6)
127 ASP (-162.8, -54.2)
141 LEU (-31.6, -77.8)
149 GLY (-138.2, -51.1)
166 ALA (-36.1, -81.5)
170 HIS (-29.4, -32.5)
193 PRO (-59.8, -98.2)
194 ASP (42.1, -67.2)
203 ASN (-28.8, 147.4)
207 ILE (-19.1, -39.0)
208 ARG (-59.5, -87.9)
209 ALA (-54.7, 0.7)
220 THR (173.6, -27.5)
222 ARG (-35.0, -24.1)
12 LEU (-55.4, -79.4)
66 VAL (42.3, 86.4)
80 LYS (57.0, -78.1)
84 VAL (-37.0, -33.5)
89 LYS (-60.8, -80.7)
127 ARG (91.3, 39.8)
146 ALA (39.6, 110.0)
156 ARG (2.5, 52.2)
174 PRO (-58.1, 66.5)
175 LEU (-33.2, -31.7)
192 THR (-8.3, -70.1)
4 TYR (-58.5, -80.2)
5 LEU (86.3, -32.1)
10 LYS (-25.1, -71.4)
23 SER (-16.9, -61.1)
28 ILE (41.4, 95.5)
29 ASP (-37.8, -99.5)
30 THR (53.6, -22.5)
32 CYS (152.5, -42.6)
33 LYS (84.3, 56.6)
35 GLU (91.2, -95.1)
36 GLN (-68.3, 41.4)
37 ALA (178.0, 56.1)
47 ARG (25.7, 72.9)
85 ASN (-38.5, 102.2)
148 LYS (-54.9, 101.2)
149 ALA (99.8, -19.1)
153 SER (-12.8, -79.9)
154 ARG (-27.0, -73.6)
165 ARG (-86.5, -113.0)
174 ASP (82.7, -119.5)
175 ALA (143.4, -52.8)
192 SER (70.8, -82.5)
12 GLN (50.1, 94.3)
24 THR (64.1, 128.5)
42 GLY (47.1, 11.2)
45 ARG (23.0, 100.4)
51 GLY (48.5, 159.8)
57 PRO (-54.8, -68.8)
98 PRO (-63.7, -92.9)
99 ALA (106.5, 101.2)
100 SER (-39.6, 86.0)
101 GLU (-4.8, 90.5)
102 GLY (-63.4, 59.8)
103 THR (25.2, -82.3)
105 ILE (93.7, 35.4)
113 ALA (-36.8, -74.4)
122 ASN (-174.5, -60.0)
123 VAL (7.0, 128.2)
138 ARG (117.6, -56.5)
142 ASP (-61.6, 67.2)
143 GLY (177.0, -61.2)
147 MET (-48.6, 100.6)
155 ALA (-39.8, -27.2)
158 GLY (64.1, -44.6)
13 ASP (-51.6, -81.6)
14 GLN (-59.6, 24.9)
15 SER (-63.5, 11.6)
17 GLN (-41.6, -20.7)
18 VAL (-31.2, -77.6)
33 GLU (33.4, 36.4)
54 LEU (82.7, 78.5)
55 HIS (-11.8, 166.7)
56 LYS (52.2, 142.1)
86 ARG (14.4, 116.1)
91 ARG (37.2, -146.2)
92 THR (169.3, -85.2)
93 LYS (6.1, 70.2)
94 HIS (73.9, 121.5)
95 ALA (-51.7, 172.7)
98 GLU (132.0, -171.0)
3 ARG (-23.9, -71.5)
9 GLN (152.3, 72.1)
12 ILE (-33.3, 134.2)
56 LYS (-10.3, -109.7)
82 GLY (144.1, 46.8)
84 THR (-60.2, 76.2)
130 ASN (17.4, 102.9)
146 GLU (153.9, -41.8)
31 LYS (-27.8, -73.8)
54 ASP (-167.0, -41.9)
57 PRO (-38.1, 103.3)
67 GLN (-70.6, -157.1)
75 ILE (-162.0, 107.0)
89 LYS (179.2, -41.1)
96 MET (36.2, 36.5)
0
Phi
180
-180
0
H 120 GLY (57.4, 86.8)
I 23 PRO (-61.5, 75.4)
I 26 GLY (-54.3, 68.9)
I 39 PHE (-167.6, 23.9)
I 41 ARG (167.2, -39.7)
I 53 GLU (-85.8, -112.7)
I 55 VAL (67.4, 116.3)
I 58 VAL (57.1, -67.3)
I 103 PHE (1.6, -47.5)
I 104 VAL (-81.3, 27.6)
I 120 LYS (172.9, 82.0)
I 129 LYS (-32.4, -73.9)
J 17 LEU (-170.1, -44.8)
J 35 GLN (91.2, -137.3)
J 36 VAL (90.6, 114.8)
J 38 GLY (52.5, 139.7)
J 41 PRO (-54.3, -84.5)
J 42 LEU (76.2, 131.9)
J 57 VAL (47.1, -155.9)
J 89 ARG (94.2, 66.2)
J
J
J
J
K
K
K
K
K
K
K
K
K
K
L
L
L
L
L
L
L
L
L
L
L
L
L
L
L
M
M
M
M
M
M
M
M
M
N
N
N
N
N
N
N
N
N
N
N
N
N
N
N
O
O
O
O
P
P
P
P
P
Q
Q
Q
Q
Q
Q
Q
Q
Q
Q
Q
R
R
R
R
R
R
S
S
S
S
S
T
T
T
T
T
T
T
U
U
U
U
U
U
U
U
U
U
U
90 LEU (-168.3, -45.0)
91 ASP (-23.5, -72.0)
92 LEU (45.3, 110.3)
95 GLY (160.3, 53.4)
15 GLN (62.5, 129.7)
52 PHE (31.5, 137.8)
78 GLY (35.4, 82.7)
89 PRO (-99.0, -165.4)
91 PRO (-27.6, -59.8)
92 GLY (-53.5, -107.8)
93 ARG (51.8, -95.4)
120 GLY (-137.3, -75.3)
126 LYS (-37.7, 157.2)
127 ARG (143.0, 46.7)
4 VAL (-26.7, -56.1)
15 LYS (-39.5, 162.1)
17 ALA (63.5, 127.7)
23 ALA (-38.0, 70.7)
24 LEU (40.2, 149.0)
26 ALA (23.7, 43.1)
34 CYS (91.4, 109.0)
43 LYS (-63.3, -162.6)
44 LYS (-44.5, -85.7)
76 GLU (-6.6, -92.6)
77 HIS (-66.9, -114.9)
78 SER (65.9, 102.9)
89 ASP (167.5, -37.5)
93 VAL (-35.7, 87.8)
117 TYR (144.2, -5.7)
7 ILE (-43.7, -11.3)
11 ASP (134.4, 137.5)
12 HIS (87.0, 33.6)
24 GLY (169.0, 30.0)
25 VAL (-172.5, 107.9)
41 GLU (-1.1, -51.4)
44 LYS (-52.8, 175.9)
49 SER (-66.6, -160.6)
114 LYS (-144.2, -58.5)
3 LYS (90.5, 111.5)
11 VAL (-33.7, -58.7)
13 ARG (-42.3, -21.5)
22 ALA (53.3, -67.1)
23 LYS (-45.7, -79.5)
29 ALA (-56.6, -90.6)
34 VAL (-55.9, 79.7)
50 THR (-68.0, 33.7)
52 PRO (-4.7, -46.1)
53 ARG (99.0, -49.4)
59 ARG (-177.4, -37.8)
60 GLN (-60.3, -175.8)
62 ASN (101.6, 97.2)
64 CYS (-57.3, 99.8)
92 GLU (32.5, -70.9)
18 ASP (75.7, 123.6)
20 ASN (141.8, -29.4)
46 HIS (74.4, -85.2)
73 LYS (-64.4, -112.5)
24 SER (-20.3, -30.1)
42 ILE (-90.8, -100.6)
44 SER (56.9, 163.2)
77 GLU (-171.3, -29.8)
80 LYS (178.3, -49.1)
5 ILE (-85.4, -104.8)
12 VAL (-53.5, -175.2)
13 VAL (178.0, -23.5)
17 MET (-173.8, 46.0)
20 SER (178.2, 69.4)
51 ASN (26.7, 37.1)
52 GLU (-38.8, -117.0)
53 CYS (-29.6, 139.6)
70 THR (87.6, 174.9)
76 VAL (-135.9, -110.9)
80 GLU (65.7, 148.9)
21 ILE (-39.2, -17.7)
25 ASP (-57.6, 5.8)
26 ILE (-17.9, -30.9)
34 THR (-44.0, 162.5)
47 THR (52.4, 123.8)
71 THR (-58.0, -146.3)
5 LEU (112.9, 19.6)
6 LYS (47.4, -94.2)
28 LYS (-158.9, -97.8)
30 PRO (-35.4, 111.7)
32 ARG (-57.3, 65.9)
4 ILE (-30.3, 82.9)
6 SER (24.4, -62.4)
7 ALA (-63.8, 37.7)
41 ALA (-80.3, -100.7)
42 GLY (-172.2, 26.4)
67 ILE (-158.1, -39.8)
68 HIS (63.2, 135.9)
9 ASN (-50.3, -93.7)
10 GLU (-150.3, -48.4)
11 PRO (-115.4, 133.6)
12 PHE (164.2, -104.9)
13 ASP (126.7, -38.4)
24 GLU (-48.4, -95.7)
35 ARG (59.7, 150.8)
36 GLU (-52.0, -174.2)
40 LYS (165.6, -35.1)
52 ALA (-26.0, 92.0)
53 VAL (-169.5, -157.0)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)

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