MolProbity Ramachandran analysis

Transcrição

MolProbity Ramachandran analysis
MolProbity Ramachandran analysis
3J07, model 1
General case
180
S
18
HIS
A
DO
21
SER
G
18
HIS
18
HIS
SE 162
THR
O 151 GLN
X
FR
156
156
GLU
GLU
156
GLU
JV
156
GLU
UW
PT
156
GLU
I 165
162
THR
C 168 ALA
H
156
GLU
162GLU
THR
B
L
N
156
156
GLU
D 156
156GLU
GLU
IGLU
168 ALA
ALA
165GLU
GLU
168
D 66 SER
IW165
K
G 165
165
44O
LEU
O 165MSGLU
A
Q
165
165
GLU
GLU
GLU
Q
168
ALA
GLU
ALEU
168
ALA
E165
44
M
168
ALA
E
168
ALA
E 165 GLU Q
W
44
SK
LEU
168
ALA
LEU
168
ALA
CS44
21
G
SER
168
ALA
U
163
21
SER
ARG
B47
PHE
A
O
21
21
SER
SER
IQ
M
G
K
21
21SER
SER
R
H
L
TN
4747
PHE
W
S
21
SER
P
JD
PHE
X
FV
47
PHE
PHE
A
163
ARG
M
Q
163
44
LEU
ARG
74 ARG
ARG
74
I SC2 ASP
C 165 GLU G
U 163
163M
ARG
OARG
150 LYS
LYS
U
150
D
168
ALA
V
N
H
168
168
ALA
ALA
B
KI 41
41
SER
O
S
C164
41
SER
41SER
SER
IG
GLU
M
G
A 2 ASP
T 24 PHE
Psi
O 76 SER
K 76 SER
W
A 76
74 SER
ARG
O
K47
47
PHE
PHE
CS
AM
47
PHE
G
U
47
PHE
PHE
47
PHE
47
PHE
71
GLU
JP47
71
GLU
D 71 GLU
-180
VAL
X
81
VAL
R
P
81
VAL
JD
L 81
81
N
81VAL
VAL
V
81
VAL
H
T 81 VAL
P L 2424PHE
PHE
B
L
F
P
N
JD
X
V
R
T 110
110
110
GLU
GLU
H
110GLU
GLU
H
LB
LEU
D
P 70
70
70LEU
LEU
LEU
XF
LEU
R7070
70
LEU
LEU
M
70
LEU
U
CW
K70
A
70
70
70
70
LEU
LEU
LEU
LEU
IG
O70
LEU
70
LEU
E
70
LEU
LEU
SQ
70
70
LEU
LEU
X 69 ARG
D 149
69
69ARG
ARG
ARG
KP
U
O
149
149 ARG
ARG
Psi
QN
VAL
152
VAL
TB77
L
H
X
F152
152
VAL
R
P
V
152
152VAL
VAL
JD
152
VAL
0
O 66 SER
P
132
THR
N
THR
D
132
B
V
R
132
THR
THR
JTH132
X
F
132
132
THR
THR
L
132THR
THR
P L2626
GLN
GLN
X 169 VAL
OIW77
K
VAL
VAL
7777
VAL
K 163 ARG
W 163 ARG
Q 41 SER
A
41
SER
I 47 PHE
W
41
SER
U
M 41
41SER
SER
I 163 ARG
C
W
K 66
66
66SER
SER
SER
0
Isoleucine and valine
180
QO 75
75PHE
PHE
O 65 LEU
X 168 ALA
JV 70
FX
70LEU
LEU
164
GLU
N
70
LEU
D
164GLU
GLU
T 164
164
GLU
K 164 GLU
C 18 HIS
18
HIS
PKU2118
SER
HIS
Q 18 HIS
I M18 18
HISHIS
-180
T 70 LEU
C 162 THR
O 162 THR
C 171 ALA
0
-180
180
Phi
Pre-proline
180
Psi
-180
0
B
N 45
45 SER
SER
180
Phi
180
Phi
180
Glycine
180
OK 166
166LYS
LYS
Phi
Psi
D 45
45SER
SER
P
45
SER
F
H
X
R
45
45
SER
SER
T
JL
SER
E 166 LYS V
I 166 LYS
C 166 LYS
0
0
B 19 SER
E 64 GLY
19
SER
P 19 SER X
R
19
SER
F
T
19
SER
JN
L 19
19SER
SER
SER
D 19 SER VH 1919SER
166
LYS
JL
R PF166
T166
166
166
LYS
LYS
LYS
LYS
LYS
X
LYS
N
H
B
V
D 166
166
166
LYS
LYS
Q
12 ARG
ARG
E
12
I 15 PHE
K 15 PHE
C 15 PHE
U 166 LYS
-180
-180
-180
0
Phi
180
Trans proline
180
V
R
H
T
L
J 46
46
46 PRO
PRO
P
D
PRO
X
46
PRO
F
46
PRO
Psi
-180
Cis proline
180
U 167 PRO
A 39
U
39
PRO
E
W
M
39
39PRO
PRO
PRO
B
N
Q
39
39
PRO
PRO
H
F
JX
L
D 39
39
39
PRO
PRO
PRO
PRO
P
T
39
39PRO
PRO
G
C
O
IR
39
PRO
SV
K
39
39
PRO
PRO
0
Psi
E
W 20
20PRO
PRO
M
20
PRO
20
PRO
UQ
20
PRO
C
20
PRO
0
0
OG
PRO
16
PRO
S 16
16
U
E
M
16 PRO
PRO
FX
155
PRO
PRO I 130 PRO
R
155 PRO
155
H
T
PJ 155
B
N
D
155
PRO
L
C
O 130
130 PRO
PRO
V
155 PRO
PRO U
G
B 20 PRO
K
G 167
167 PRO
PRO
PRO
O 167
167PRO
PROFX 2020PRO
Q
M
PRO
E
167
PRO
L
JPRO
167
167RPRO
PRO
R
PRO
167
PRO
20 PRO
IS
AW
167
167
PRO
167
PRO
L 20 PRO
PT 167
PRO
167 PRO
F 167 PRO
C 167 PROT 20 PRO
H
20
PRO
V
JN
20
20
20PRO
PRO
PRO
G
148
PRO
C 148
U
148
PRO
D
W
S
E
A
20
148PRO
PRO
PRO
M
P
K
O
IR
148
20
148
PRO
PRO
D
V
148
X
L
H
JQ
PRO
N
B
F
148
148
PRO
PRO
PRO
T
148
PRO
B
N 46
46 PRO
PRO
-180
-180
M
2 ASP (32.6, 76.6)
90.4% (3753/4152) of all residues were in allowed (>99.8%) regions.
M
M
16 PRO (-50.0, -6.3)
18 HIS (-52.5, -178.1)
There were 399 outliers (phi, psi):
A 2 ASP (33.6, 76.9)
A 18 HIS (-51.4, 178.5)
68.8% (2856/4152) of all residues were in favored (98%) regions.
M 20 PRO (-99.7, 34.2)
M 21 SER (68.4, 113.8)
M 39 PRO (-49.9, 95.0)
A 21 SER (69.5, 115.8)
A 39 PRO (-49.7, 96.2)
A 41 SER (39.4, 29.9)
M 41 SER (42.8, 23.6)
M 44 LEU (57.7, 107.6)
M 47 PHE (-167.0, 28.3)
A 47 PHE (-173.0, 31.5)
A 70 LEU (-156.3, -86.7)
A 74 ARG (-170.8, 59.2)
M 70 LEU (-165.2, -82.8)
M 148 PRO (-67.8, -155.3)
M 150 LYS (89.5, 98.9)
A 148 PRO (-63.7, -154.4)
A 163 ARG (62.5, 108.7)
M 165 GLU (52.6, 129.8)
M 167 PRO (-114.0, -93.4)
A 165 GLU (58.7, 133.4)
A 167 PRO (-113.4, -98.3)
A 168 ALA (88.2, 128.1)
M 168 ALA (85.9, 126.2)
N 19 SER (166.6, -44.6)
N 20 PRO (-65.7, -146.8)
B 19 SER (88.2, 1.8)
B 20 PRO (-84.9, -56.6)
B 39 PRO (-52.5, 92.8)
N 39 PRO (-52.4, 92.7)
N 45 SER (172.7, 99.2)
N 46 PRO (-109.4, -169.2)
B 45 SER (172.8, 99.3)
B 46 PRO (-109.4, -169.0)
B 47 PHE (169.1, 116.7)
B 70 LEU (-36.4, -85.4)
B 110 GLU (-56.2, -77.3)
B 132 THR (-169.9, -23.0)
B 148 PRO (-64.0, -158.2)
B 152 VAL (70.3, 154.0)
B 155 PRO (-95.5, -44.0)
B 156 GLU (-32.6, 146.9)
C 162 THR (75.3, -155.7)
C 165 GLU (-9.5, 100.3)
C 166 LYS (126.4, 59.6)
N 110 GLU (-56.4, -77.4)
N 132 THR (-169.0, -20.3)
O 47 PHE (-176.1, 32.6)
O 65 LEU (59.8, -75.8)
O 66 SER (-59.8, 4.3)
O 70 LEU (-154.5, -87.8)
O 75 PHE (57.1, 177.9)
O 76 SER (-175.9, 71.0)
O 77 VAL (-44.0, 153.8)
O 130 PRO (-27.8, -46.1)
O 151 GLN (167.8, 161.5)
O 162 THR (80.2, -162.7)
O 165 GLU (24.8, 134.1)
D 19 SER (109.5, -52.4)
D 20 PRO (-66.4, -154.3)
O 166 LYS (40.8, 91.1)
O 167 PRO (-110.9, -89.9)
O 168 ALA (87.8, 137.5)
P 19 SER (109.1, -42.0)
P 20 PRO (-66.5, -155.4)
D 46 PRO (-112.9, 176.8)
D 47 PHE (159.3, 112.3)
D 66 SER (175.5, 137.3)
D 69 ARG (-164.9, -139.5)
D 70 LEU (-35.7, -85.1)
D 71 GLU (-166.8, 20.0)
D 81 VAL (-149.1, 78.9)
D 110 GLU (-56.3, -77.4)
D 132 THR (-170.7, -21.5)
D 148 PRO (-65.1, -156.5)
D 152 VAL (74.0, 151.3)
D 155 PRO (-95.1, -44.5)
D 156 GLU (-31.3, 144.8)
D 164 GLU (70.0, -98.1)
D 166 LYS (-96.7, -65.5)
D 168 ALA (48.3, 89.6)
E 12 ARG (-98.4, -67.2)
E 16 PRO (-48.4, -4.4)
E 18 HIS (-45.8, 172.9)
P
P
P
21 SER (-66.6, -163.3)
24 PHE (-34.3, -25.4)
26 GLN (-169.6, -34.3)
P 39 PRO (-55.7, 85.9)
P 45 SER (150.6, 74.5)
P 46 PRO (-112.8, 176.9)
P 47 PHE (159.2, 112.3)
P 69 ARG (-164.4, -139.2)
P 70 LEU (-34.1, -85.9)
P 71 GLU (-165.9, 27.1)
P 81 VAL (-149.5, 76.7)
P 110 GLU (-56.2, -77.5)
P 132 THR (-170.1, -17.2)
P 148 PRO (-66.4, -157.1)
P 152 VAL (74.7, 151.0)
P 155 PRO (-93.4, -43.1)
P 156 GLU (-36.2, 150.4)
P 166 LYS (-113.9, -60.6)
P 167 PRO (-84.7, -115.9)
Q
Q
Q
12 ARG (-97.2, -66.4)
18 HIS (-65.1, -169.9)
20 PRO (-100.8, 33.2)
E 64 GLY (-158.8, -0.2)
E 70 LEU (-165.1, -88.4)
Q 21 SER (66.2, 114.8)
Q 39 PRO (-50.9, 92.2)
E 148 PRO (-63.3, -154.8)
E 165 GLU (6.6, 125.0)
E 166 LYS (88.3, 69.7)
Q 41 SER (36.7, 35.8)
Q 44 LEU (60.8, 122.7)
Q 70 LEU (-155.3, -92.9)
E 167 PRO (-114.5, -94.2)
E 168 ALA (85.0, 125.4)
F 19 SER (165.8, -42.5)
F 20 PRO (-59.1, -92.6)
F 39 PRO (-54.2, 86.3)
F 45 SER (149.1, 72.0)
Q 75 PHE (53.0, 177.1)
Q 77 VAL (56.2, 156.8)
Q 148 PRO (-62.8, -153.6)
Q 163 ARG (60.7, 108.0)
Q 165 GLU (60.9, 133.1)
Q 167 PRO (-115.7, -93.5)
F 46 PRO (-112.7, 172.8)
F 47 PHE (157.6, 111.4)
Q 168 ALA (96.1, 130.0)
R 19 SER (165.9, -41.6)
F 70 LEU (-40.0, -91.1)
F 110 GLU (-56.1, -77.4)
F 132 THR (-168.0, -24.1)
R 20 PRO (-59.3, -97.6)
R 39 PRO (-55.4, 86.6)
R 45 SER (151.5, 72.8)
F 148 PRO (-63.6, -158.4)
F 152 VAL (75.3, 152.6)
F 155 PRO (-94.0, -39.4)
R 46 PRO (-112.1, 177.1)
R 47 PHE (160.0, 113.2)
R 70 LEU (-39.7, -91.8)
F 156 GLU (-39.1, 156.6)
F 164 GLU (68.4, -95.3)
R 81 VAL (-150.0, 76.7)
R 110 GLU (-55.6, -77.4)
F 166 LYS (-112.1, -57.3)
F 167 PRO (-79.1, -130.0)
G 2 ASP (33.4, 76.3)
R 132 THR (-168.1, -22.7)
R 148 PRO (-62.9, -158.2)
R 152 VAL (73.0, 151.1)
G 16 PRO (-51.6, 1.4)
G 18 HIS (-49.1, 174.6)
G 21 SER (69.1, 113.5)
R 155 PRO (-93.4, -40.6)
R 156 GLU (-38.3, 154.0)
R 166 LYS (-120.4, -60.8)
G 39 PRO (-57.5, 82.2)
G 41 SER (-42.4, 84.1)
R 167 PRO (-84.9, -96.5)
S 16 PRO (-48.8, -2.7)
G 47 PHE (-177.6, 31.0)
G 70 LEU (-168.0, -90.2)
G 130 PRO (-27.5, -47.9)
G 148 PRO (-63.7, -150.9)
G 163 ARG (59.9, 103.1)
G 165 GLU (61.8, 135.5)
G 167 PRO (-107.6, -80.2)
G 168 ALA (89.7, 119.9)
H 19 SER (172.4, -47.9)
H 20 PRO (-68.9, -144.4)
H 39 PRO (-55.8, 86.5)
H 45 SER (149.8, 72.4)
H 46 PRO (-112.1, 177.0)
H 47 PHE (159.9, 113.3)
H 70 LEU (-40.7, -84.9)
H 81 VAL (-149.7, 70.2)
H 110 GLU (-55.9, -78.2)
H 132 THR (-165.0, -27.0)
H 148 PRO (-63.4, -157.3)
H 152 VAL (74.2, 152.4)
H 155 PRO (-95.3, -43.7)
H 156 GLU (-32.7, 147.1)
H 166 LYS (-99.1, -65.6)
H 168 ALA (47.7, 88.2)
I 2 ASP (-51.9, 101.7)
I 15 PHE (-31.6, -77.3)
I 18 HIS (-59.6, -175.6)
I 21 SER (66.4, 113.2)
I 39 PRO (-56.0, 82.1)
I 41 SER (-32.9, 84.0)
I 47 PHE (178.3, 29.4)
I 70 LEU (-169.5, -87.3)
I 77 VAL (-38.1, 149.6)
S 18 HIS (-49.9, 179.6)
S 21 SER (69.3, 112.8)
S 39 PRO (-56.1, 81.9)
S 41 SER (-41.5, 84.1)
S 47 PHE (-172.9, 29.8)
S 70 LEU (-158.3, -92.3)
S 74 ARG (-42.9, 102.8)
S 148 PRO (-64.5, -155.0)
S 162 THR (-47.1, 169.9)
S 163 ARG (72.7, 118.9)
S 165 GLU (57.6, 132.2)
S 167 PRO (-113.8, -97.9)
S 168 ALA (87.3, 123.4)
T 19 SER (167.3, -42.7)
T 20 PRO (-67.6, -134.2)
T 24 PHE (-63.5, 68.9)
T 39 PRO (-55.7, 85.8)
T 45 SER (149.7, 71.8)
T 46 PRO (-112.0, 177.1)
T 47 PHE (160.0, 113.1)
T 70 LEU (40.2, -147.3)
T 81 VAL (-147.0, 65.0)
T 110 GLU (-55.6, -77.8)
T 132 THR (-167.7, -23.2)
T 148 PRO (-63.5, -160.6)
T 152 VAL (67.3, 152.9)
T 155 PRO (-95.2, -43.5)
T 156 GLU (-33.2, 147.3)
T 164 GLU (70.3, -100.2)
T 166 LYS (-110.1, -60.9)
T 167 PRO (-83.6, -120.2)
U 16 PRO (-49.6, -3.2)
U 18 HIS (-58.8, -162.4)
I 130 PRO (-28.1, -44.2)
I 148 PRO (-62.3, -155.0)
I 162 THR (63.6, 150.9)
U 20 PRO (-104.1, 31.2)
U 21 SER (68.8, 118.5)
U 39 PRO (-49.8, 95.8)
I 163 ARG (134.9, 22.8)
I 164 GLU (-49.5, 80.5)
U 41 SER (40.8, 26.9)
U 47 PHE (-175.0, 30.9)
I 165 GLU (-15.4, 135.8)
I 166 LYS (88.7, 62.5)
I 167 PRO (-114.4, -98.8)
U 70 LEU (-166.0, -86.0)
U 130 PRO (-28.2, -46.3)
U 148 PRO (-65.5, -153.4)
I 168 ALA (94.5, 139.0)
J 19 SER (165.9, -43.3)
J 20 PRO (-66.6, -146.7)
U 149 ARG (-174.1, -146.3)
U 150 LYS (90.0, 95.6)
U 163 ARG (60.4, 99.0)
J 39 PRO (-54.7, 86.1)
J 45 SER (150.3, 71.7)
J 46 PRO (-111.8, 177.0)
U 165 GLU (57.8, 152.1)
U 166 LYS (91.5, -87.2)
U 167 PRO (-42.9, 168.3)
J 47 PHE (159.9, 112.8)
J 70 LEU (35.1, -95.1)
V 19 SER (166.1, -49.3)
V 20 PRO (-70.6, -146.1)
J 71 GLU (-166.0, 26.5)
J 81 VAL (-149.4, 75.4)
J 110 GLU (-56.2, -77.5)
V 39 PRO (-55.8, 85.9)
V 45 SER (149.9, 71.8)
V 46 PRO (-112.0, 177.3)
J 132 THR (-168.2, -23.3)
J 148 PRO (-62.2, -157.5)
J 152 VAL (74.6, 151.0)
V 47 PHE (159.7, 113.1)
V 70 LEU (38.3, -96.7)
V 81 VAL (-149.8, 71.9)
J 155 PRO (-92.4, -41.2)
J 156 GLU (-38.9, 153.6)
V 110 GLU (-55.9, -77.6)
V 132 THR (-169.4, -23.0)
J 166 LYS (-121.3, -60.9)
J 167 PRO (-84.8, -95.2)
K 15 PHE (-25.8, -86.9)
V 148 PRO (-63.5, -156.8)
V 152 VAL (75.3, 151.8)
V 155 PRO (-93.1, -47.1)
K 18 HIS (-62.5, -168.3)
K 21 SER (70.2, 113.2)
K 39 PRO (-55.9, 81.6)
V 156 GLU (-36.0, 150.0)
V 166 LYS (-98.5, -65.3)
V 168 ALA (46.9, 88.3)
K 41 SER (-39.1, 85.4)
K 44 LEU (61.9, 135.3)
K 47 PHE (-166.4, 33.0)
W 20 PRO (-99.1, 38.5)
W 21 SER (68.2, 112.4)
W 39 PRO (-50.5, 94.3)
K 66 SER (-70.9, 27.3)
K 70 LEU (-159.3, -86.0)
W 41 SER (40.5, 27.9)
W 44 LEU (61.6, 123.3)
K 76 SER (-174.5, 65.1)
K 77 VAL (-43.0, 152.8)
K 148 PRO (-65.4, -155.8)
K 149 ARG (-170.8, -142.4)
K 163 ARG (79.9, 48.0)
K 164 GLU (-75.1, -137.7)
K 166 LYS (45.1, 88.9)
K 167 PRO (-109.0, -80.3)
W 66 SER (-70.8, 27.8)
W 70 LEU (-159.1, -86.5)
W 76 SER (-174.6, 59.7)
W 77 VAL (-35.8, 150.2)
W 148 PRO (-64.4, -154.3)
W 162 THR (61.5, 147.8)
W 163 ARG (137.6, 42.0)
W 165 GLU (-15.0, 137.1)
K 168 ALA (88.8, 120.3)
L 19 SER (168.4, -44.0)
L 20 PRO (-64.0, -109.1)
W 167 PRO (-104.4, -103.9)
X 19 SER (163.9, -40.5)
X 20 PRO (-55.0, -87.3)
L 24 PHE (-26.6, -27.0)
L 26 GLN (-160.7, -37.5)
L 39 PRO (-53.7, 86.4)
X 39 PRO (-54.0, 85.9)
X 45 SER (150.8, 72.2)
X 46 PRO (-112.2, 174.9)
L 45 SER (151.6, 72.5)
L 46 PRO (-111.8, 177.1)
L 47 PHE (160.2, 113.1)
X 47 PHE (157.9, 111.7)
X 69 ARG (-163.3, -132.0)
X 70 LEU (-51.0, -88.3)
L 70 LEU (-39.6, -84.9)
L 81 VAL (-148.2, 75.3)
X 81 VAL (-149.7, 77.1)
X 110 GLU (-56.0, -77.7)
L 110 GLU (-56.3, -77.3)
L 132 THR (-168.7, -25.8)
L 148 PRO (-63.1, -157.4)
X 132 THR (-168.5, -24.4)
X 148 PRO (-63.2, -157.1)
X 152 VAL (75.4, 152.3)
L 152 VAL (74.5, 152.2)
L 155 PRO (-95.7, -45.1)
L 156 GLU (-32.0, 146.5)
L 166 LYS (-120.7, -60.5)
L 167 PRO (-84.3, -95.9)
0
O 148 PRO (-64.8, -155.8)
O 149 ARG (-172.2, -147.0)
O 150 LYS (90.4, 98.7)
C 167 PRO (-120.9, -138.5)
C 168 ALA (152.5, 150.1)
C 171 ALA (82.7, -175.4)
D 21 SER (-55.7, 177.8)
D 39 PRO (-53.1, 86.9)
D 45 SER (152.2, 75.4)
E 20 PRO (-99.6, 38.9)
E 39 PRO (-50.0, 94.0)
E 44 LEU (62.0, 126.3)
-180
N 156 GLU (-32.4, 146.4)
N 166 LYS (-99.1, -65.4)
O 21 SER (68.6, 114.4)
O 39 PRO (-57.3, 82.2)
O 41 SER (-42.8, 84.1)
C 74 ARG (-41.7, 104.8)
C 130 PRO (-27.7, -46.1)
C 148 PRO (-61.9, -152.3)
180
N 47 PHE (169.0, 116.8)
N 70 LEU (33.5, -98.4)
N 81 VAL (-149.6, 73.3)
N 168 ALA (47.7, 88.2)
O 16 PRO (-54.8, 2.9)
O 18 HIS (-52.4, 179.7)
C 18 HIS (-71.9, -155.0)
C 20 PRO (-105.4, 28.3)
C 21 SER (70.2, 119.2)
C 39 PRO (-57.5, 82.1)
C 41 SER (-41.9, 84.2)
C 47 PHE (-174.4, 31.1)
-180
Phi
N 148 PRO (-64.7, -158.7)
N 152 VAL (67.7, 152.9)
N 155 PRO (-95.4, -44.7)
B 166 LYS (-98.2, -65.5)
B 168 ALA (47.4, 87.8)
C 15 PHE (-7.6, -97.7)
C 66 SER (-71.5, 27.5)
C 70 LEU (-165.9, -86.9)
0
X 155 PRO (-93.8, -39.3)
X 156 GLU (-39.1, 156.5)
X 164 GLU (69.9, -98.0)
X 166 LYS (-100.2, -62.3)
X 168 ALA (54.5, -89.4)
X 169 VAL (55.4, 174.4)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)

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