MolProbity Ramachandran analysis

Transcrição

MolProbity Ramachandran analysis
MolProbity Ramachandran analysis
4V8S, model 1
General case
180
AR
AZ 690
BH
12 ARG
ARG
AY 328
BC
328 GLN
GLN
Psi
BB
AR
1009
1009
ARG
ARG
BA
AW
255
255
ALA
ALA
BG
AV 79
79 THR
THR
BA 764
AW
764 ARG
ARG
BC
AY
180
THR
AV
BG
47 THR
ASN
ASN
AS 180
BD
90
90
GLU
AZ 44 TRP
BH
AY 210
BC
210 PHE
PHE BC
AY 217
217 ALA
ALA
AW
103 ARG
ARG
BA 103
AJ
BQ 37
37SER
SER
AY
BC
146
146
TYR
TYR
AR
BB
223
223
LYS
LYS
AR
BB
775
LYS
LYS
AR 213
BB
213
PHE
PHE
BA
AW
71
71ALA
HIS
HIS
AR
BB
197
197
ALA
ALA
BA
AW
849
849
ALA
AR 283
BB
283 GLN
GLN
AV 17 SER
BG
SER
AR
BB
460
GLU
AR460
BB
95
95GLU
TYR
TYR
BB
1078
ASN
AR
1078
ASN
AT
BE
50
50 GLU
ASN
ASN
BA
AW
151
GLU
BAMET
AW
734
734151
ARG
ARG
BA 34
AW
34 ASP
ASP
AYBK
BC
163
MET
AI163
54
54
ASN
ASN
AJ
BQ 58
58LYS
LYS
BA 43
AW
43SER
SER
Isoleucine and valine
180
AT 126
126 ILE
ILE
BE
AJ 59
BQ
59 ILE
ILE
AR BB
BB
943
943592
VAL
VAL
AR
592
VAL
VAL
BF
AU 44VAL
VAL
Psi
AR 203
BB
203 VAL
VAL
AW 437 VAL
AZ 13 ILE
BH
BA 866
AW
866VAL
VAL
AY 43
BC
43 VAL
VAL
AU 63
BF
63 ILE
ILE
AR
281
ILE
ILE
ARBB
BB
706
706281
VAL
VAL
AR 407
BB
407 VAL
VAL
AU 83
83 VAL
VAL
BF
AR 27
BB
27 VAL
VAL
0
BC
AY 41
41 VAL
VAL
0
BP
AX 88LYS
LYS
AY 129
BC
129 GLU
GLU
BB
AR
BA
AW
1056
1056
108
108
SER
SER
GLU
GLU
AR 1053
BB
1053 LEU
LEU
AS 87
BD
87 GLU
BC 193
AY
193 LEU
LEU
AW
BA 599
599 ASP
ASP
BA 812
AW
812 ARG
ARG
AX
BP
17
17
GLN
GLN
AR
BB
836
836
ARG
ARG
BB
AR
267
267
ASN
ASN
-180
AR 563
BB
563 THR
THR
AV 107 SER
SER
BCBN
AY
12763
THR
THR
AO127
63
THR
THR BG
AX 99 CYS
BP
CYS
AY 101
BC
101 THR
THR
0
Phi
BA 44
AW
44VAL
VAL
BB
AR 953
953 ILE
ILE
BABD
AS876
876
130
130
VAL
VAL
ILE
AY 216
BC
216 ILE
ILEAW
AV
BG 106
106 ILE
ILE
AO 40
BN
40 VAL
VAL
BK 61
AI
61 VAL
VAL
AY 237
BC
237 ILE
ILE
-180
180
Pre-proline
180
AY 349
BC
349 VAL
VAL
AU
BF 68
68 VAL
VAL
AS 83
BD
83 ILE
AR
BB 733 THR
THR
AR991015
1015
LEU
AOBB
BN
THR
THRLEU
AM
BL
62
62
SER
SER
AR
BB
285 ARG
ARG
BL
39
SER
AM
39
SER
BA
SER
AR
BB
AW
844
844
814
HIS
HIS
SER285
AS
BD
AV
BG
205
205
51814
LEU
GLN
GLN
BA1076
AW
393
393ARG
ASP
ASP
AY
BC
AR
1076
331
331
ARG
ASN
BB
ASN
BA
AW
308
308
ARG
ARG
AY
BC
113
113
ALA
ALA
BD
AS
206
CYS
AR 187
BB
187 THR
THR
BQ
AJ 36
36LEU
LEU
AY 350
BC
350
AO THR
BN
THR
41
41 LYS
LYS
AU 93
BF
93 ARG
ARG
BK
50
LEU
AI
50
LEU
AU
BF
31
31
SER
SER
AR
24
LYS
BB
AR 24
BB
41
41LYS
LYS
LYS
AY
BC
211
211 ALA
ALA
AR 1075
BB
1075
LYS
LYS
-180
BA 229
AW
229ILE
ILE
AI
BK
55
55
ASN
ASN
BB
AR 735
735
BA TYR
AW
TYR
684
684
LEU
LEU
BA 291
AW
291 SER
SER
-180
0
Phi
180
Glycine
180
BA 284
AW
284LEU
LEU
BQ 33 PHE
AR 113
BB
113 GLU
GLU
BN
33 ILE
AO BK
ILE
AIAW
47
47
ALA
ALA
BA
257
257
ALA
ALA
AR 334
BB
334 GLU
GLU
Psi
Psi
0
0
AR 234
BB
234 GLY
GLY
AR 918
BB
918 LEU
LEU
BA 29
AW
29 THR
THR
BA 372
AW
372 TRP
TRP
AR 350
BB
350 GLY
GLY
BN 39
AO
39 GLY
GLY
AW
541 ALA
ALA
BA 541
BN
AO
64
ARG
BB
52
ILE
AR 64
52 ARG
ILE
-180
-180
-180
0
Phi
180
Trans proline
180
-180
0
Phi
180
Phi
180
Cis proline
180
BA 39
AW
39 PRO
PRO
Psi
AR
BB
952
PRO
PRO
BA 952
AW
161
161
PRO
PRO
AR 1114
BB
1114 PRO
PRO
Psi
0
0
BA 126
AW
126 PRO
PRO
AZ 688
BH
43 PRO
AW
BA
688
PRO
AR 221
BB
221 PRO
PRO
BB
AR 53
53 PRO
PRO
-180
-180
-180
83.0% (5600/6751) of all residues were in favored (98%) regions.
95.9% (6476/6751) of all residues were in allowed (>99.8%) regions.
There were 275 outliers (phi, psi):
BA 29 THR (-126.7, -63.4)
BA 34 ASP (170.6, 81.0)
BA 39 PRO (-44.7, 165.3)
BA 43 SER (106.7, 54.6)
BA 44 VAL (176.5, -43.1)
BA 71 HIS (98.5, 101.6)
BA 103 ARG (-23.0, 118.9)
BA 108 GLU (-164.2, -66.5)
BA 126 PRO (-87.9, -45.1)
BA 151 GLU (49.0, 84.0)
BA 161 PRO (-47.0, 94.3)
BA 229 ILE (64.5, -5.5)
BA 255 ALA (-168.5, 51.5)
BA 257 ALA (67.7, 128.3)
BA 284 LEU (163.3, 159.4)
BA 291 SER (169.0, -39.7)
BA 308 ARG (67.8, -83.4)
BA 372 TRP (-161.2, -78.7)
BA 393 ASP (69.6, -79.5)
BA 541 ALA (-112.2, -99.1)
BA 599 ASP (-163.8, -139.1)
BA 684 LEU (175.3, -31.1)
BA 688 PRO (-46.5, -71.2)
BA 734 ARG (32.7, 83.9)
BA 764 ARG (150.3, 156.4)
BA 812 ARG (-35.3, -35.3)
BA 814 SER (-44.0, -77.5)
BA 849 ALA (91.3, 99.6)
BA 866 VAL (64.6, 108.2)
BA 876 VAL (-79.6, -79.5)
AI 47 ALA (61.8, 129.5)
AI 50 LEU (-73.9, -156.2)
AI 54 ASN (19.9, 75.5)
AI 55 ASN (172.1, -28.6)
AI 61 VAL (50.4, -96.2)
AJ 36 LEU (57.2, -92.8)
AJ 37 SER (117.8, 115.1)
AJ 58 LYS (-13.1, 69.1)
AJ 59 ILE (160.5, 158.9)
AM 39 SER (-57.6, -76.0)
AM 62 SER (-52.0, -73.3)
AO 3 ILE (44.7, 133.0)
AO 9 THR (95.1, -72.5)
AO 39 GLY (-51.8, -90.3)
AO 40 VAL (60.3, -88.4)
AO 41 LYS (69.7, -100.0)
AO 63 THR (46.1, -155.6)
AO 64 ARG (-145.8, -105.5)
AR 24 LYS (-65.7, -165.0)
AR 27 VAL (-154.0, 34.5)
AR 41 LYS (-63.2, -168.0)
AR 52 ILE (-142.9, -108.0)
AR 53 PRO (-91.9, -148.8)
AR 95 TYR (-52.5, 91.1)
AR 113 GLU (131.9, 138.8)
AR 187 THR (-75.2, -88.9)
AR 197 ALA (99.4, 100.7)
AR 203 VAL (-152.7, 86.5)
AR 213 PHE (66.3, 104.5)
AR 221 PRO (1.2, -86.5)
AR 223 LYS (66.0, 109.4)
AR 234 GLY (150.8, 14.3)
AR 267 ASN (-79.1, -136.4)
AR 281 ILE (55.5, 86.3)
AR 283 GLN (-51.4, 98.6)
AR 285 ARG (-3.1, -74.3)
AR 334 GLU (70.5, 121.0)
AR 350 GLY (-46.3, -78.1)
AR 407 VAL (82.7, 60.7)
AR 460 GLU (-61.5, 92.0)
AR 563 THR (40.8, -144.4)
AR 592 VAL (87.2, 134.3)
AR 690 ARG (-56.3, 178.6)
AR 706 VAL (41.1, 81.4)
AR 733 THR (87.9, -56.2)
AR 735 TYR (153.2, -31.7)
AR 775 LYS (86.9, 106.4)
AR 836 ARG (-72.5, -134.0)
AR 844 HIS (-51.6, -78.2)
AR 918 LEU (-108.5, -53.3)
AR 943 VAL (70.7, 138.3)
AR 952 PRO (-52.3, 97.4)
AR 953 ILE (-7.0, -62.5)
AR 1009 ARG (-176.3, 55.2)
AR 1015 LEU (108.4, -67.1)
AR 1053 LEU (-163.0, -75.7)
AR 1056 SER (-173.0, -66.5)
AR 1075 LYS (-59.8, -176.2)
AR 1076 ASN (65.5, -81.9)
AR 1078 ASN (52.6, 91.0)
AR 1114 PRO (-98.2, 82.3)
AS 83 ILE (-149.9, -52.3)
AS 87 GLU (-172.0, -96.3)
AS 90 GLU (63.1, 151.4)
AS 130 ILE (-69.9, -79.8)
AS 205 LEU (-59.1, -79.3)
AS 206 CYS (57.5, -87.9)
AT 50 ASN (54.8, 88.6)
AT 126 ILE (65.5, 172.0)
AU 4 VAL (-166.9, 105.3)
AU 31 SER (-71.1, -159.4)
AU 63 ILE (83.9, 92.2)
AU 68 VAL (-154.2, -40.1)
AU 83 VAL (-154.6, 57.0)
AU 93 ARG (-86.3, -114.9)
AV 17 SER (150.4, 95.9)
AV 47 ASN (63.4, 153.4)
AV 51 GLN (-52.5, -79.5)
AV 79 THR (162.9, 171.0)
AV 106 ILE (-86.8, -94.6)
AV 107 SER (121.4, -150.7)
AW 29 THR (-126.7, -63.4)
AW 34 ASP (170.8, 81.0)
AW 39 PRO (-44.7, 165.2)
AW 43 SER (106.7, 54.4)
AW 44 VAL (176.5, -43.1)
AW 71 HIS (98.7, 101.6)
AW 103 ARG (-23.1, 119.1)
AW 108 GLU (-164.2, -66.6)
AW 126 PRO (-87.8, -45.2)
AW 151 GLU (49.4, 84.1)
AW 161 PRO (-47.1, 94.3)
AW 229 ILE (64.4, -5.3)
AW 255 ALA (-168.6, 51.4)
AW 257 ALA (67.8, 128.3)
AW 284 LEU (163.4, 159.6)
AW 291 SER (169.0, -39.7)
AW 308 ARG (68.2, -83.5)
AW 372 TRP (-161.3, -78.5)
AW 393 ASP (69.7, -79.5)
AW 437 VAL (-49.1, 109.4)
AW 541 ALA (-112.2, -98.9)
AW 599 ASP (-164.1, -139.1)
AW 684 LEU (175.3, -31.0)
AW 688 PRO (-46.6, -71.0)
0
Phi
180
-180
0
AW 734 ARG (32.6, 83.8)
AW 764 ARG (150.4, 156.2)
AW 812 ARG (-35.2, -35.3)
AW 814 SER (-43.6, -78.1)
AW 849 ALA (91.2, 99.7)
AW 866 VAL (64.7, 108.4)
AW 876 VAL (-79.8, -79.1)
AX 8 LYS (-177.0, -32.0)
AX 9 CYS (48.6, -166.5)
AX 17 GLN (-63.4, -132.9)
AY 41 VAL (-173.0, 7.8)
AY 43 VAL (112.2, 100.5)
AY 101 THR (52.5, -177.5)
AY 113 ALA (62.6, -86.8)
AY 127 THR (36.9, -152.1)
AY 129 GLU (-169.3, -54.1)
AY 146 TYR (61.2, 113.7)
AY 163 MET (6.9, 78.2)
AY 180 THR (59.1, 154.0)
AY 193 LEU (-168.6, -125.4)
AY 210 PHE (105.3, 131.8)
AY 211 ALA (-60.1, -174.3)
AY 216 ILE (-134.5, -83.2)
AY 217 ALA (175.4, 129.6)
AY 237 ILE (-75.7, -160.9)
AY 328 GLN (-48.7, 165.2)
AY 331 ARG (64.5, -81.8)
AY 349 VAL (86.8, -35.5)
AY 350 THR (45.4, -99.0)
AZ 12 ARG (-55.2, 178.7)
AZ 13 ILE (-37.8, 93.4)
AZ 43 PRO (-44.4, -70.7)
AZ 44 TRP (121.1, 138.3)
BB 24 LYS (-65.6, -165.2)
BB 27 VAL (-154.0, 34.4)
BB 41 LYS (-63.2, -167.9)
BB 52 ILE (-142.9, -107.8)
BB 53 PRO (-92.2, -148.8)
BB 95 TYR (-52.4, 91.0)
BB 113 GLU (131.9, 138.8)
BB 187 THR (-75.1, -88.8)
BB 197 ALA (99.3, 100.7)
BB 203 VAL (-152.7, 86.5)
BB 213 PHE (66.4, 104.4)
BB 221 PRO (1.1, -86.2)
BB 223 LYS (65.9, 109.5)
BB 234 GLY (150.8, 14.2)
BB 267 ASN (-79.2, -136.3)
BB 281 ILE (55.7, 86.3)
BB 283 GLN (-51.7, 98.5)
BB 285 ARG (-3.2, -74.3)
BB 334 GLU (70.4, 121.0)
BB 350 GLY (-46.1, -78.1)
BB 407 VAL (82.6, 60.5)
BB 460 GLU (-61.6, 92.1)
BB 563 THR (40.7, -144.5)
BB 592 VAL (87.5, 134.2)
BB 706 VAL (41.0, 81.5)
BB 733 THR (88.1, -56.0)
BB 735 TYR (152.9, -31.7)
BB 775 LYS (87.0, 106.4)
BB 836 ARG (-72.6, -134.3)
BB 844 HIS (-51.7, -78.1)
BB 918 LEU (-108.9, -53.2)
BB 943 VAL (70.9, 138.2)
BB 952 PRO (-52.4, 97.5)
BB 953 ILE (-7.2, -62.4)
BB 1009 ARG (-176.3, 55.2)
BB 1015 LEU (108.5, -67.1)
BB 1053 LEU (-163.1, -75.5)
BB 1056 SER (-173.0, -66.8)
BB 1075 LYS (-59.9, -176.3)
BB 1076 ASN (65.6, -82.0)
BB 1078 ASN (52.5, 91.1)
BB 1114 PRO (-98.3, 82.4)
BC 41 VAL (-173.3, 7.9)
BC 43 VAL (112.5, 100.6)
BC 101 THR (52.5, -177.4)
BC 113 ALA (62.5, -86.7)
BC 127 THR (36.9, -152.1)
BC 129 GLU (-169.3, -54.0)
BC 146 TYR (61.2, 113.8)
BC 163 MET (7.0, 78.2)
BC 180 THR (58.9, 154.1)
BC 193 LEU (-168.5, -125.4)
BC 210 PHE (105.3, 131.8)
BC 211 ALA (-60.2, -174.3)
BC 216 ILE (-134.5, -83.0)
BC 217 ALA (175.3, 129.7)
BC 237 ILE (-75.5, -160.9)
BC 328 GLN (-48.5, 165.2)
BC 331 ARG (64.7, -81.9)
BC 349 VAL (86.2, -35.5)
BC 350 THR (45.5, -99.0)
BD 83 ILE (-149.9, -52.3)
BD 87 GLU (-171.9, -96.4)
BD 90 GLU (63.1, 151.4)
BD 130 ILE (-69.9, -79.7)
BD 205 LEU (-59.1, -79.1)
BD 206 CYS (56.5, -87.5)
BE 50 ASN (55.0, 88.4)
BE 126 ILE (65.6, 172.0)
BF 4 VAL (-167.0, 105.0)
BF 31 SER (-71.1, -159.5)
BF 63 ILE (84.0, 92.2)
BF 68 VAL (-153.8, -41.0)
BF 83 VAL (-154.7, 57.0)
BF 93 ARG (-86.2, -114.9)
BG 17 SER (150.3, 96.0)
BG 47 ASN (63.3, 153.3)
BG 51 GLN (-52.5, -79.4)
BG 79 THR (161.2, 171.1)
BG 106 ILE (-84.3, -94.8)
BG 107 SER (121.4, -150.9)
BH 12 ARG (-55.3, 178.8)
BH 13 ILE (-37.9, 93.4)
BH 43 PRO (-44.6, -70.6)
BH 44 TRP (121.3, 138.4)
BK 47 ALA (62.0, 129.5)
BK 50 LEU (-73.8, -155.9)
BK 54 ASN (20.0, 75.6)
BK 55 ASN (172.2, -28.5)
BK 61 VAL (50.3, -96.3)
BL 39 SER (-57.6, -75.9)
BL 62 SER (-52.0, -73.5)
BN 3 ILE (44.8, 133.0)
BN 9 THR (95.4, -72.8)
BN 39 GLY (-51.7, -90.5)
BN 40 VAL (60.3, -88.2)
BN 41 LYS (69.5, -99.7)
BN 63 THR (46.3, -155.7)
BN 64 ARG (-145.7, -105.4)
BP 8 LYS (-177.0, -31.9)
BP 9 CYS (48.6, -166.5)
BP 17 GLN (-63.4, -132.8)
BQ 33 PHE (93.1, 142.9)
BQ 36 LEU (50.8, -91.9)
BQ 37 SER (118.7, 115.3)
BQ 58 LYS (-12.9, 69.2)
BQ 59 ILE (160.1, 158.5)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)

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