| ## |
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 |
|
C |
113 |
13 |
22386 |
◊ |
A |
x,y,z |
1_555 |
104 |
29 |
5655 |
935.5 |
-8.6 |
0.810 |
20 |
0 |
0 |
0.113 |
2 |
|
F |
113 |
13 |
22509 |
◊ |
D |
x,y,z |
1_555 |
106 |
31 |
5605 |
915.5 |
-8.1 |
0.833 |
19 |
0 |
0 |
0.113 |
| Average: |
925.5 |
-8.4 |
0.822 |
20 |
0 |
0 |
0.113 |
| 2 |
3 |
|
C |
82 |
20 |
22386 |
◊ |
B |
x,y,z |
1_555 |
64 |
7 |
1737 |
616.1 |
-5.3 |
0.909 |
20 |
0 |
0 |
0.088 |
4 |
|
F |
83 |
20 |
22509 |
◊ |
E |
x,y,z |
1_555 |
62 |
7 |
1738 |
587.2 |
-4.6 |
0.929 |
18 |
0 |
0 |
0.088 |
| Average: |
601.6 |
-4.9 |
0.919 |
19 |
0 |
0 |
0.088 |
| 3 |
5 |
|
C |
64 |
11 |
22386 |
◊ |
F |
x-1,y+1,z+1 |
1_466 |
69 |
12 |
22509 |
552.1 |
-12.5 |
0.867 |
12 |
0 |
0 |
0.067 |
| 4 |
6 |
|
[GTP]F:1 |
26 |
1 |
628 |
cf |
F |
x,y,z |
1_555 |
52 |
13 |
22509 |
359.6 |
-6.6 |
0.732 |
4 |
0 |
0 |
0.031 |
| 5 |
7 |
|
[GTP]C:1 |
26 |
1 |
612 |
cf |
C |
x,y,z |
1_555 |
51 |
10 |
22386 |
344.8 |
-6.8 |
0.748 |
4 |
0 |
0 |
0.032 |
| 6 |
8 |
|
F |
27 |
8 |
22509 |
◊ |
A |
x,y,z-1 |
1_554 |
28 |
8 |
5655 |
246.0 |
-4.4 |
0.577 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
D |
29 |
10 |
5605 |
◊ |
C |
x,y-1,z |
1_545 |
29 |
7 |
22386 |
226.8 |
-4.9 |
0.604 |
2 |
0 |
0 |
0.000 |
| 8 |
10 |
|
C |
27 |
3 |
22386 |
◊ |
D |
x-1,y,z |
1_455 |
27 |
9 |
5605 |
224.8 |
1.5 |
0.635 |
2 |
0 |
0 |
0.000 |
11 |
|
A |
27 |
9 |
5655 |
◊ |
F |
x-1,y,z |
1_455 |
27 |
3 |
22509 |
223.5 |
1.0 |
0.609 |
3 |
0 |
0 |
0.000 |
| Average: |
224.1 |
1.3 |
0.622 |
3 |
0 |
0 |
0.000 |
| 9 |
12 |
|
C |
31 |
7 |
22386 |
◊ |
[A23]F:121 |
x-1,y+1,z+1 |
1_466 |
19 |
1 |
515 |
197.5 |
2.6 |
0.709 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
D |
17 |
6 |
5605 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
5655 |
156.3 |
-2.6 |
0.277 |
0 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[A23]F:121 |
17 |
1 |
515 |
cf |
F |
x,y,z |
1_555 |
25 |
2 |
22509 |
141.6 |
2.7 |
0.673 |
1 |
0 |
0 |
0.000 |
| 12 |
15 |
|
F |
17 |
6 |
22509 |
◊ |
C |
x,y-1,z-1 |
1_544 |
20 |
5 |
22386 |
136.3 |
-4.7 |
0.562 |
4 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[A23]C:121 |
17 |
1 |
524 |
cf |
C |
x,y,z |
1_555 |
26 |
2 |
22386 |
135.7 |
2.3 |
0.603 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
C |
19 |
6 |
22386 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
4 |
5655 |
129.2 |
1.6 |
0.888 |
1 |
0 |
0 |
0.000 |
18 |
|
D |
14 |
5 |
5605 |
◊ |
F |
x-1,y,z |
1_455 |
19 |
6 |
22509 |
127.0 |
1.8 |
0.906 |
2 |
0 |
0 |
0.000 |
| Average: |
128.1 |
1.7 |
0.897 |
2 |
0 |
0 |
0.000 |
| 15 |
19 |
|
A |
15 |
5 |
5655 |
◊ |
F |
x-1,y,z+1 |
1_456 |
18 |
5 |
22509 |
125.5 |
-1.5 |
0.655 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[A23]C:121 |
18 |
1 |
524 |
◊ |
F |
x-1,y+1,z+1 |
1_466 |
20 |
5 |
22509 |
123.8 |
0.7 |
0.580 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[GTP]C:1 |
17 |
1 |
612 |
◊ |
B |
x,y,z |
1_555 |
16 |
1 |
1737 |
113.2 |
2.0 |
0.859 |
0 |
0 |
0 |
0.000 |
22 |
|
[GTP]F:1 |
17 |
1 |
628 |
◊ |
E |
x,y,z |
1_555 |
15 |
1 |
1738 |
112.4 |
2.0 |
0.829 |
0 |
0 |
0 |
0.000 |
| Average: |
112.8 |
2.0 |
0.844 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
F |
19 |
6 |
22509 |
x |
F |
x-1,y,z |
1_455 |
20 |
10 |
22509 |
110.3 |
-7.9 |
0.444 |
0 |
0 |
0 |
0.000 |
24 |
|
C |
14 |
9 |
22386 |
x |
C |
x-1,y,z |
1_455 |
12 |
5 |
22386 |
80.4 |
-5.6 |
0.411 |
0 |
0 |
0 |
0.000 |
| Average: |
95.4 |
-6.8 |
0.428 |
0 |
0 |
0 |
0.000 |
| 19 |
25 |
|
C |
18 |
2 |
22386 |
◊ |
F |
x-2,y,z |
1_355 |
18 |
2 |
22509 |
74.1 |
2.4 |
0.950 |
0 |
0 |
0 |
0.000 |
| 20 |
26 |
|
C |
11 |
3 |
22386 |
◊ |
E |
x-1,y,z+1 |
1_456 |
7 |
1 |
1738 |
66.7 |
-0.8 |
0.695 |
0 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[CA]F:1023 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
14 |
7 |
22509 |
51.3 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.045 |
| 22 |
28 |
|
[CA]F:1022 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
22509 |
51.2 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.089 |
29 |
|
[CA]C:1022 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
22386 |
49.6 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.089 |
| Average: |
50.4 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.089 |
| 23 |
30 |
|
[CA]C:1019 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
22386 |
48.9 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.081 |
31 |
|
[CA]F:1019 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
8 |
5 |
22509 |
48.6 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.081 |
| Average: |
48.7 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.081 |
| 24 |
32 |
|
[CA]C:1021 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
22386 |
47.3 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.044 |
| 25 |
33 |
|
[CA]F:1020 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
22509 |
45.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.093 |
34 |
|
[CA]C:1020 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
5 |
22386 |
44.7 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.093 |
| Average: |
45.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.093 |
| 26 |
35 |
|
C |
6 |
3 |
22386 |
◊ |
F |
x-1,y+1,z |
1_465 |
9 |
3 |
22509 |
45.7 |
-1.7 |
0.562 |
0 |
0 |
0 |
0.000 |
| 27 |
36 |
|
[CA]F:1021 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
10 |
3 |
22509 |
44.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.033 |
| 28 |
37 |
|
[CA]C:1031 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
22386 |
43.8 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.046 |
| 29 |
38 |
|
[CA]C:1028 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
22386 |
40.9 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.063 |
39 |
|
[CA]F:1026 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
22509 |
36.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
38.7 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.063 |
| 30 |
40 |
|
[CA]F:1027 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
9 |
3 |
22509 |
35.8 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.056 |
41 |
|
[CA]C:1029 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
22386 |
33.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.056 |
| Average: |
34.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.056 |
| 31 |
42 |
|
[GTP]F:1 |
6 |
1 |
628 |
f |
[CA]F:1028 |
x,y,z |
1_555 |
1 |
1 |
85 |
33.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.051 |
43 |
|
[GTP]C:1 |
6 |
1 |
612 |
f |
[CA]C:1030 |
x,y,z |
1_555 |
1 |
1 |
85 |
29.3 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.051 |
| Average: |
31.2 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.051 |
| 32 |
44 |
|
[CA]C:1025 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
22386 |
32.7 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.048 |
45 |
|
[CA]F:1025 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
7 |
5 |
22509 |
30.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.048 |
| Average: |
31.4 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.048 |
| 33 |
46 |
|
[CA]C:1032 |
1 |
1 |
85 |
f |
F |
x-1,y+1,z+1 |
1_466 |
7 |
3 |
22509 |
31.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.024 |
| 34 |
47 |
|
B |
6 |
2 |
1737 |
◊ |
F |
x-1,y+1,z |
1_465 |
6 |
2 |
22509 |
31.1 |
-1.0 |
0.577 |
0 |
0 |
0 |
0.000 |
| 35 |
48 |
|
[CA]C:1024 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
22386 |
31.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.023 |
| 36 |
49 |
|
[CA]F:1028 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
22509 |
30.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.039 |
50 |
|
[CA]C:1030 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
4 |
4 |
22386 |
19.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.039 |
| Average: |
25.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.039 |
| 37 |
51 |
|
[GTP]C:1 |
7 |
1 |
612 |
f |
[CA]C:1028 |
x,y,z |
1_555 |
1 |
1 |
85 |
30.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.026 |
52 |
|
[GTP]F:1 |
5 |
1 |
628 |
f |
[CA]F:1026 |
x,y,z |
1_555 |
1 |
1 |
85 |
15.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.026 |
| Average: |
23.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.026 |
| 38 |
53 |
|
[CA]F:1024 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
22509 |
28.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.035 |
54 |
|
[CA]C:1023 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
22386 |
21.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.035 |
| Average: |
24.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.035 |
| 39 |
55 |
|
[CA]C:1032 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
22386 |
25.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.019 |
| 40 |
56 |
|
F |
2 |
1 |
22509 |
◊ |
[CA]F:1021 |
x-1,y,z |
1_455 |
1 |
1 |
85 |
25.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 41 |
57 |
|
C |
4 |
2 |
22386 |
◊ |
F |
x-1,y,z+1 |
1_456 |
3 |
1 |
22509 |
25.2 |
-2.0 |
0.359 |
0 |
0 |
0 |
0.000 |
| 42 |
58 |
|
[CA]C:1029 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
1737 |
25.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.028 |
59 |
|
[CA]F:1027 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
1738 |
24.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.028 |
| Average: |
24.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.028 |
| 43 |
60 |
|
[CA]C:1026 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
22386 |
24.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.029 |
61 |
|
[CA]F:1029 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
22509 |
17.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
20.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.029 |
| 44 |
62 |
|
[CA]C:1027 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
22386 |
22.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.017 |
| 45 |
63 |
|
[GTP]F:1 |
2 |
1 |
628 |
f |
[CA]F:1027 |
x,y,z |
1_555 |
1 |
1 |
85 |
17.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.024 |
64 |
|
[GTP]C:1 |
2 |
1 |
612 |
f |
[CA]C:1029 |
x,y,z |
1_555 |
1 |
1 |
85 |
17.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
17.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.024 |
| 46 |
65 |
|
[CA]E:19 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
3 |
3 |
1738 |
17.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.100 |
| 47 |
66 |
|
F |
1 |
1 |
22509 |
x |
F |
x,y,z-1 |
1_554 |
4 |
1 |
22509 |
16.0 |
-1.3 |
0.313 |
0 |
0 |
0 |
0.000 |
| 48 |
67 |
|
[CA]C:1027 |
1 |
1 |
85 |
◊ |
[A23]F:121 |
x-1,y+1,z+1 |
1_466 |
2 |
1 |
515 |
13.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.010 |
| 49 |
68 |
|
D |
5 |
2 |
5605 |
◊ |
F |
x-1,y-1,z |
1_445 |
3 |
1 |
22509 |
10.9 |
-0.6 |
0.523 |
0 |
0 |
0 |
0.000 |
| 50 |
69 |
|
[CA]E:19 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
3 |
3 |
22509 |
9.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.004 |
| 51 |
70 |
|
C |
3 |
2 |
22386 |
◊ |
F |
x-1,y,z |
1_455 |
3 |
3 |
22509 |
6.2 |
-0.6 |
0.490 |
0 |
0 |
0 |
0.000 |
| 52 |
71 |
|
C |
1 |
1 |
22386 |
x |
C |
x,y-1,z |
1_545 |
1 |
1 |
22386 |
3.3 |
-0.3 |
0.242 |
0 |
0 |
0 |
0.000 |
| 53 |
72 |
|
[CA]C:1032 |
1 |
1 |
85 |
f |
[CA]F:1019 |
x-1,y+1,z+1 |
1_466 |
1 |
1 |
85 |
1.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
|