| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
E |
174 |
41 |
13478 |
◊ |
A |
x,y,z |
1_555 |
195 |
51 |
18238 |
1746.3 |
-21.3 |
0.233 |
29 |
4 |
0 |
0.280 |
| 2 |
2 |
|
B |
151 |
40 |
17407 |
◊ |
A |
x,y,z |
1_555 |
156 |
38 |
18238 |
1461.7 |
-14.0 |
0.094 |
13 |
7 |
0 |
0.151 |
3 |
|
D |
145 |
40 |
17295 |
◊ |
C |
x,y,z |
1_555 |
142 |
33 |
17120 |
1358.3 |
-11.8 |
0.153 |
15 |
6 |
0 |
0.151 |
| Average: |
1410.0 |
-12.9 |
0.123 |
14 |
7 |
0 |
0.151 |
| 3 |
4 |
|
B |
135 |
38 |
17407 |
◊ |
C |
x,y,z |
1_555 |
137 |
38 |
17120 |
1188.2 |
-10.2 |
0.141 |
17 |
1 |
0 |
0.163 |
| 4 |
5 |
|
E |
75 |
17 |
13478 |
◊ |
C |
x,y,z |
1_555 |
89 |
27 |
17120 |
782.8 |
-8.7 |
0.368 |
5 |
4 |
0 |
0.081 |
| 5 |
6 |
|
E |
55 |
14 |
13478 |
◊ |
B |
x,y,z |
1_555 |
87 |
22 |
17407 |
657.5 |
-2.9 |
0.644 |
7 |
5 |
0 |
0.048 |
| 6 |
7 |
|
E |
57 |
16 |
13478 |
◊ |
D |
x,y,z |
1_555 |
79 |
22 |
17295 |
650.0 |
-5.6 |
0.459 |
3 |
5 |
0 |
0.048 |
| 7 |
8 |
|
D |
65 |
18 |
17295 |
x |
D |
x-1/2,-y+5/2,-z+1 |
4_476 |
54 |
16 |
17295 |
506.2 |
-2.2 |
0.446 |
6 |
0 |
0 |
0.000 |
| 8 |
9 |
|
D |
54 |
14 |
17295 |
◊ |
A |
x-1,y+1,z |
1_465 |
50 |
15 |
18238 |
485.6 |
4.6 |
0.909 |
4 |
9 |
0 |
0.000 |
| 9 |
10 |
|
[GTP]B:600 |
31 |
1 |
644 |
f |
B |
x,y,z |
1_555 |
74 |
31 |
17407 |
445.1 |
-3.8 |
0.520 |
15 |
0 |
0 |
0.095 |
11 |
|
[GTP]D:600 |
31 |
1 |
635 |
f |
D |
x,y,z |
1_555 |
67 |
32 |
17295 |
437.2 |
-3.4 |
0.522 |
16 |
0 |
0 |
0.095 |
| Average: |
441.1 |
-3.6 |
0.521 |
16 |
0 |
0 |
0.095 |
| 10 |
12 |
|
[GTP]C:600 |
31 |
1 |
638 |
f |
C |
x,y,z |
1_555 |
70 |
29 |
17120 |
414.4 |
-2.7 |
0.589 |
17 |
0 |
0 |
0.093 |
13 |
|
[GTP]A:600 |
32 |
1 |
634 |
f |
A |
x,y,z |
1_555 |
66 |
30 |
18238 |
412.0 |
-2.8 |
0.560 |
17 |
0 |
0 |
0.093 |
| Average: |
413.2 |
-2.8 |
0.575 |
17 |
0 |
0 |
0.093 |
| 11 |
14 |
|
A |
32 |
11 |
18238 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
42 |
12 |
17120 |
308.7 |
-1.4 |
0.489 |
3 |
1 |
0 |
0.000 |
| 12 |
15 |
|
A |
31 |
11 |
18238 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
35 |
14 |
17407 |
308.4 |
3.0 |
0.875 |
4 |
3 |
0 |
0.000 |
| 13 |
16 |
|
D |
38 |
10 |
17295 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
36 |
12 |
17407 |
282.5 |
2.9 |
0.851 |
5 |
0 |
0 |
0.000 |
| 14 |
17 |
|
E |
18 |
6 |
13478 |
◊ |
D |
x-1/2,-y+5/2,-z+1 |
4_476 |
18 |
5 |
17295 |
170.5 |
-2.8 |
0.241 |
1 |
0 |
0 |
0.000 |
| 15 |
18 |
|
E |
14 |
4 |
13478 |
◊ |
C |
x,y-1,z |
1_545 |
14 |
4 |
17120 |
140.1 |
0.1 |
0.680 |
2 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[SO4]A:453 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
18238 |
114.5 |
-15.9 |
0.756 |
5 |
0 |
0 |
0.146 |
| 17 |
20 |
|
[SO4]D:457 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
17295 |
112.8 |
-14.5 |
0.906 |
4 |
0 |
0 |
0.126 |
| 18 |
21 |
|
[SO4]A:454 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
18238 |
100.5 |
-14.4 |
0.699 |
2 |
0 |
0 |
0.123 |
| 19 |
22 |
|
E |
14 |
5 |
13478 |
◊ |
D |
x-1,y,z |
1_455 |
9 |
3 |
17295 |
100.4 |
0.7 |
0.740 |
1 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[SO4]C:453 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
17120 |
99.7 |
-14.7 |
0.649 |
0 |
0 |
0 |
0.134 |
| 21 |
24 |
|
[SO4]A:455 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
18238 |
94.8 |
-14.2 |
0.754 |
3 |
0 |
0 |
0.125 |
| 22 |
25 |
|
[SO4]C:454 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
17120 |
91.2 |
-13.7 |
0.755 |
3 |
0 |
0 |
0.137 |
| 23 |
26 |
|
[SO4]E:146 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
13478 |
84.4 |
-10.9 |
0.877 |
4 |
0 |
0 |
0.102 |
| 24 |
27 |
|
[SO4]B:456 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
17407 |
73.8 |
-9.7 |
0.896 |
3 |
0 |
0 |
0.101 |
| 25 |
28 |
|
[SO4]C:452 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
17120 |
70.4 |
-8.2 |
0.885 |
2 |
0 |
0 |
0.082 |
| 26 |
29 |
|
[SO4]D:456 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
17295 |
69.2 |
-9.1 |
0.900 |
3 |
0 |
0 |
0.080 |
| 27 |
30 |
|
A |
8 |
2 |
18238 |
◊ |
C |
x,y-1,z |
1_545 |
5 |
2 |
17120 |
67.0 |
1.7 |
0.888 |
1 |
2 |
0 |
0.000 |
| 28 |
31 |
|
D |
19 |
7 |
17295 |
◊ |
[SO4]D:456 |
x-1/2,-y+5/2,-z+1 |
4_476 |
4 |
1 |
185 |
66.8 |
-9.1 |
0.741 |
1 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[SO4]A:452 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
18238 |
63.1 |
-7.2 |
0.860 |
2 |
0 |
0 |
0.065 |
| 30 |
33 |
|
E |
6 |
3 |
13478 |
◊ |
A |
x-1,y+1,z |
1_465 |
4 |
2 |
18238 |
56.6 |
1.7 |
0.910 |
0 |
0 |
0 |
0.000 |
| 31 |
34 |
|
[GTP]A:600 |
9 |
1 |
634 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
17407 |
54.6 |
1.1 |
0.815 |
1 |
0 |
0 |
0.000 |
35 |
|
[GTP]C:600 |
8 |
1 |
638 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
17295 |
49.5 |
1.0 |
0.799 |
1 |
0 |
0 |
0.000 |
| Average: |
52.0 |
1.1 |
0.807 |
1 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
17295 |
45.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.045 |
37 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
17407 |
41.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.045 |
| Average: |
43.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.045 |
| 33 |
38 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
17120 |
43.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.046 |
39 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
18238 |
43.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.046 |
| Average: |
43.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.046 |
| 34 |
40 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
[GTP]B:600 |
x,y,z |
1_555 |
4 |
1 |
644 |
39.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.092 |
41 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
[GTP]D:600 |
x,y,z |
1_555 |
4 |
1 |
635 |
37.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.092 |
42 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
[GTP]A:600 |
x,y,z |
1_555 |
5 |
1 |
634 |
32.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.092 |
43 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
[GTP]C:600 |
x,y,z |
1_555 |
5 |
1 |
638 |
32.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.092 |
| Average: |
35.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.092 |
| 35 |
44 |
|
A |
6 |
2 |
18238 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
13478 |
37.5 |
0.5 |
0.744 |
1 |
0 |
0 |
0.000 |
| 36 |
45 |
|
[SO4]A:455 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
17407 |
36.2 |
-4.5 |
0.320 |
0 |
0 |
0 |
0.033 |
| 37 |
46 |
|
[SO4]C:452 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
17295 |
32.9 |
-3.5 |
0.923 |
1 |
0 |
0 |
0.031 |
| 38 |
47 |
|
[SO4]A:452 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
17407 |
32.6 |
-3.2 |
0.924 |
1 |
0 |
0 |
0.027 |
| 39 |
48 |
|
D |
3 |
2 |
17295 |
x |
D |
x-1,y,z |
1_455 |
3 |
2 |
17295 |
29.6 |
1.0 |
0.885 |
0 |
0 |
0 |
0.000 |
| 40 |
49 |
|
D |
2 |
1 |
17295 |
◊ |
[SO4]A:454 |
x-1,y+1,z |
1_465 |
3 |
1 |
186 |
24.1 |
-2.1 |
0.972 |
1 |
0 |
0 |
0.000 |
| 41 |
50 |
|
D |
3 |
3 |
17295 |
◊ |
[SO4]A:453 |
x-1,y+1,z |
1_465 |
4 |
1 |
186 |
20.3 |
-2.0 |
0.907 |
0 |
0 |
0 |
0.000 |
| 42 |
51 |
|
[GTP]B:600 |
3 |
1 |
644 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
17120 |
15.8 |
0.2 |
0.609 |
0 |
0 |
0 |
0.000 |
| 43 |
52 |
|
[MG]A:601 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17407 |
11.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.004 |
53 |
|
[MG]C:601 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17295 |
11.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
11.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
| 44 |
54 |
|
[SO4]B:456 |
2 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
17120 |
11.2 |
-1.6 |
0.672 |
0 |
0 |
0 |
0.014 |
| 45 |
55 |
|
E |
1 |
1 |
13478 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
17120 |
3.0 |
-0.1 |
0.413 |
0 |
0 |
0 |
0.000 |
| 46 |
56 |
|
D |
1 |
1 |
17295 |
◊ |
[SO4]D:457 |
x-1/2,-y+5/2,-z+1 |
4_476 |
2 |
1 |
185 |
1.9 |
-0.3 |
0.665 |
0 |
0 |
0 |
0.000 |
|