MolProbity Ramachandran analysis

Transcrição

MolProbity Ramachandran analysis
MolProbity Ramachandran analysis
1IYJ, model 1
General case
180
Psi
A
ASP
99 PHE
ASP
BB
2406
DC
3040
3040
ASP
ASP
B 2954
2954 GLN
GLN
D
D 2944
2944
SER
B
SER
B
D 2738
2738
LEU
LEU
BBD
LYS
D
2721
3008
3008
SER
SER
D
B 2501 GLU
D 2910
2910 GLU
GLU
B
B 2686
2686 ALA
ALA
D
C
55
GLN
B 2942
SER
2942SER
SER A 55 GLN
DD2912
2912
B
SER D
B 2694
2694 ALA
B
D 2512
2512 ALA
ALA
Isoleucine and valine
180
B
DD2764
2764 THR
THR
D2464
2460ALA
SER
B
2460
SER
DB 2930
2930 GLU
GLU
A
Psi
2752 VAL
VAL
DB 2752
8 VAL
D3114
3099ASP
PHE
3099
PHE
DB
A
C 44 ASP
B 2998
2998 SER
BD 3038
3038 ASN
ASN D
D
ASN
B 3095
3095
ASN
D
B
D 2429
2611
2611
GLU
THR
THR
B 2429 GLU
A
51
ASP
C 51
ASP
DD2988
2988
LEU
B
LEU
2710
ALA
CB
BB
10
2992
LEU
ALA
2710
2992
ALA
ALA
DD
2407
ASN
2407
ASN
DBD
SER
B2672
3092
2415
ALA
GLN
3092
ALA
BD
D
3088
3101ASN
B
3088
ASN
LYS
D
2415
GLN
B
2564
MET
D
2564
D 2985 MET
PHE
0
B 2945 LYS
A
C 39 TRP
2610
2610ASP
ASP
B 3114BDASP
48 VAL
VAL
CA 48
0
D 2480
2480 ILE
ILE
B
D 2945 LYS
BD 2941
2941VAL
VAL
AC 57
57ARG
ARG
B
D2970
2507
2507SER
LYS
LYS
B
D
2970
SER
B 2779
2779 LYS
LYS
D
B
DB
2573
ALA
D2573
2909
2909ALA
ARG
ARGD
B 2490
2490 PHE
D
2893
ARG
BA
2893
C
53
53 ARG
SER
SER
D
2465
B
CYS
D
B 2447
THR
D 3039 GLU
2907LYS
LYS
B
2907
B
DD2647
2647
ASP
ASP
41 ASP
ASP
CA 41
D
B 2592
2592 VAL
D
B 2605
2605 ILE
ILE
BD 2737
2737 SER
SER
C 47
47 ASN
ASN
A
B
D 2946
2946 ASN
ASN
-180
-180
0
180
Phi
Pre-proline
180
B
D 3035
3035 ILE
ILE
D 2953
2953 ILE
ILE
B
-180
-180
0
Phi
180
Glycine
180
BD 2448
2448LEU
LEU
Psi
B 2474 GLY
Psi
D
B 3016 ALA
D 2919 ARG
D
B 2466 SER
0
0
B
D 2950
2950 TRP
TRP
D
B 2685 GLY
-180
-180
-180
0
Phi
180
Trans proline
180
A
C
7 PRO
0
0
Phi
180
Phi
180
Cis proline
180
D
B 2979
2979 PRO
B
D 2519
2519 PRO
PRO
B 3063 PRO
D
B 2462 PRO
Psi
-180
Psi
0
B 2569
2569 PRO
D
BD2697
2697PRO
PRO
D
B 2991 PRO
B
D 2467
2467 PRO
PRO
B
D 2692
2692 PRO
PRO
-180
-180
-180
65.0% (814/1252) of all residues were in favored (98%) regions.
86.7% (1086/1252) of all residues were in allowed (>99.8%) regions.
There were 166 outliers (phi, psi):
A
A
A
7 PRO (-109.8, 170.4)
8 VAL (-59.1, 99.6)
9 ASP (-53.4, 89.4)
A 39 TRP (-175.3, -50.9)
A 41 ASP (-20.2, -112.0)
A 44 ASP (-68.4, 38.2)
A 47 ASN (-59.5, -156.2)
-180
0
C 39 TRP (-174.3, -50.2)
C 41 ASP (-22.6, -113.8)
C 44 ASP (-67.6, 38.6)
D 2429 GLU (-52.5, 15.6)
D 2447 THR (-81.1, -93.9)
D 2448 LEU (46.8, 111.8)
B 2415 GLN (-34.9, -24.0)
B 2429 GLU (-55.1, 10.3)
B 2447 THR (-80.6, -93.2)
D 2460 SER (-45.1, 167.4)
D 2462 PRO (-55.3, 100.2)
D 2464 ALA (-49.8, 169.2)
B 2448 LEU (44.7, 113.8)
B 2460 SER (-45.1, 166.7)
B 2462 PRO (-54.1, 100.1)
B 2465 CYS (-54.9, -91.4)
D 2465 CYS (-55.9, -91.0)
D 2466 SER (151.7, 31.7)
D 2467 PRO (55.6, -80.9)
D 2480 ILE (-51.9, -6.8)
B 2466 SER (152.1, 31.7)
B 2467 PRO (55.4, -80.5)
B 2474 GLY (73.4, 97.0)
B 2480 ILE (-52.2, -7.6)
D 2490 PHE (64.3, -79.1)
D 2501 GLU (138.8, 119.9)
D 2507 LYS (-15.3, -62.2)
D 2512 ALA (-14.5, 133.3)
D 2519 PRO (-35.6, 159.0)
D 2564 MET (-29.4, -39.2)
D 2569 PRO (-42.8, -10.7)
D 2573 ALA (2.6, -77.8)
D 2592 VAL (-47.1, -69.2)
D 2605 ILE (-50.9, -75.4)
D 2610 ASP (179.3, 39.6)
B 2573 ALA (1.8, -77.7)
B 2592 VAL (-45.1, -70.7)
B 2605 ILE (-48.4, -79.0)
D 2611 THR (-51.9, 15.2)
D 2647 ASP (-58.5, -100.3)
D 2672 SER (-43.4, -21.4)
B 2610 ASP (174.9, 39.1)
B 2611 THR (-51.7, 15.8)
B 2647 ASP (-59.1, -100.2)
B 2685 GLY (-45.2, -80.0)
D 2685 GLY (-46.7, -78.4)
D 2686 ALA (45.7, 110.8)
D 2692 PRO (-90.4, -110.6)
D 2694 ALA (98.9, 94.9)
B 2686 ALA (47.2, 112.1)
B 2692 PRO (-90.8, -109.6)
B 2694 ALA (100.0, 95.4)
D 2697 PRO (-19.4, -48.9)
D 2710 ALA (-49.1, -7.0)
D 2721 LYS (166.5, 134.1)
B 2697 PRO (-22.8, -43.0)
B 2710 ALA (-46.3, -13.0)
B 2721 LYS (167.1, 135.5)
B 2737 SER (-72.5, -129.8)
D 2737 SER (-70.3, -130.1)
D 2738 LEU (65.8, 140.6)
D 2752 VAL (-18.7, 104.9)
D 2764 THR (-52.8, 174.9)
B 2738 LEU (64.8, 140.0)
B 2752 VAL (-15.2, 105.3)
B 2764 THR (-52.5, 174.0)
B 2779 LYS (-45.7, -72.8)
D 2779 LYS (-47.1, -74.1)
D 2893 ARG (-53.6, -80.5)
D 2907 LYS (-55.8, -96.8)
D 2909 ARG (6.1, -78.9)
B 2893 ARG (-52.5, -82.2)
B 2907 LYS (-58.2, -98.8)
B 2909 ARG (6.6, -78.3)
D 2910 GLU (92.6, 114.9)
D 2912 SER (32.3, 97.1)
D 2919 ARG (37.7, 35.0)
B 2910 GLU (91.5, 113.3)
B 2912 SER (32.1, 96.3)
B 2930 GLU (-30.1, 155.9)
B 2941 VAL (146.5, -32.1)
D 2930 GLU (-34.2, 155.4)
D 2941 VAL (148.0, -32.0)
D 2942 SER (37.3, 102.4)
D 2944 SER (50.6, 143.2)
B 2942 SER (36.0, 104.6)
B 2944 SER (49.9, 142.6)
B 2945 LYS (-179.9, -30.0)
D 2945 LYS (178.9, -29.5)
D 2946 ASN (-55.6, -173.2)
D 2950 TRP (-165.6, -23.7)
B 2946 ASN (-55.5, -172.5)
B 2950 TRP (-166.0, -23.4)
B 2953 ILE (-78.5, -169.6)
B 2954 GLN (-176.3, 84.4)
180
C 47 ASN (-59.0, -153.9)
C 48 VAL (-155.1, 34.0)
C 51 ASP (-38.7, -0.4)
C 53 SER (-44.2, -85.7)
C 55 GLN (103.9, 105.1)
C 57 ARG (105.4, -55.1)
D 2407 ASN (-46.4, -14.0)
D 2415 GLN (-33.6, -31.4)
A 57 ARG (101.9, -53.6)
B 2406 PHE (-63.1, 84.7)
B 2407 ASN (-38.9, -15.3)
B 2512 ALA (-14.8, 134.1)
B 2519 PRO (-35.7, 160.1)
B 2564 MET (-30.2, -38.7)
B 2569 PRO (-40.9, -9.4)
Phi
B 3114 ASP (147.7, 35.5)
C 7 PRO (-110.0, 169.9)
C 9 ASP (-54.9, 86.4)
C 10 LEU (-48.4, -11.3)
A 48 VAL (-153.4, 34.7)
A 51 ASP (-41.1, 1.2)
A 53 SER (-46.1, -85.1)
A 55 GLN (103.6, 102.6)
B 2490 PHE (66.5, -79.0)
B 2501 GLU (139.8, 118.4)
B 2507 LYS (-16.2, -62.4)
0
D 2953 ILE (-77.4, -168.8)
D 2954 GLN (-178.5, 81.9)
D 2970 SER (-18.4, -64.1)
D 2979 PRO (-40.7, 168.3)
B 2970 SER (-19.1, -64.2)
B 2979 PRO (-38.1, 166.1)
B 2988 LEU (-52.1, -3.6)
D 2985 PHE (-29.0, -45.0)
D 2988 LEU (-52.8, -2.2)
D 2991 PRO (-48.1, -71.1)
B 2991 PRO (-47.4, -72.5)
B 2992 ALA (-42.9, -11.5)
B 2998 SER (33.3, 32.3)
B 3008 SER (173.4, 133.6)
D 2992 ALA (-43.3, -13.4)
D 2998 SER (31.2, 31.4)
D 3008 SER (175.5, 133.8)
D 3016 ALA (102.7, 53.2)
B 3016 ALA (103.2, 53.6)
B 3035 ILE (-87.0, -159.5)
B 3038 ASN (-44.4, 31.9)
D 3035 ILE (-86.6, -159.3)
D 3038 ASN (-42.2, 29.8)
D 3039 GLU (63.7, -95.1)
B 3040 ASP (-60.2, 82.7)
B 3063 PRO (-39.3, 149.8)
B 3088 ASN (-39.2, -27.7)
B 3092 ALA (-38.1, -24.6)
D 3040 ASP (-60.8, 82.6)
D 3088 ASN (-36.8, -28.7)
D 3092 ALA (-35.0, -25.2)
D 3095 ASN (-65.6, 18.4)
B 3095 ASN (-64.8, 16.8)
B 3099 PHE (176.7, 59.6)
B 3101 LYS (-30.8, -28.2)
D 3099 PHE (176.5, 61.3)
D 3101 LYS (-31.6, -27.4)
D 3114 ASP (171.1, 56.6)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)

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