| ## |
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 |
97 |
25 |
6480 |
◊ |
A |
x,y,z |
1_555 |
103 |
29 |
7074 |
965.1 |
-2.6 |
0.653 |
21 |
13 |
0 |
1.000 |
2 |
|
D |
96 |
24 |
6528 |
◊ |
B |
x,y,z |
1_555 |
101 |
27 |
7474 |
944.5 |
0.8 |
0.785 |
21 |
13 |
0 |
1.000 |
| Average: |
954.8 |
-0.9 |
0.719 |
21 |
13 |
0 |
1.000 |
| 2 |
3 |
|
C |
53 |
16 |
6480 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
53 |
17 |
7474 |
490.5 |
-1.9 |
0.536 |
2 |
2 |
0 |
0.000 |
4 |
|
A |
53 |
17 |
7074 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
44 |
12 |
6528 |
465.2 |
-2.7 |
0.442 |
2 |
1 |
0 |
0.000 |
| Average: |
477.9 |
-2.3 |
0.489 |
2 |
2 |
0 |
0.000 |
| 3 |
5 |
|
B |
48 |
17 |
7474 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
51 |
13 |
7474 |
428.9 |
-4.4 |
0.354 |
4 |
0 |
0 |
0.000 |
6 |
|
A |
37 |
8 |
7074 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
40 |
15 |
7074 |
313.7 |
-1.9 |
0.524 |
2 |
0 |
0 |
0.000 |
| Average: |
371.3 |
-3.2 |
0.439 |
3 |
0 |
0 |
0.000 |
| 4 |
7 |
|
B |
26 |
9 |
7474 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
21 |
7 |
6528 |
235.9 |
-2.8 |
0.236 |
2 |
0 |
0 |
0.000 |
8 |
|
C |
15 |
4 |
6480 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
7 |
7074 |
160.1 |
-0.6 |
0.505 |
2 |
0 |
0 |
0.000 |
| Average: |
198.0 |
-1.7 |
0.370 |
2 |
0 |
0 |
0.000 |
| 5 |
9 |
|
C |
17 |
5 |
6480 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
15 |
6 |
6528 |
149.7 |
-0.7 |
0.473 |
2 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[NAG]B:1120 |
13 |
1 |
363 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
7474 |
147.4 |
2.1 |
0.240 |
3 |
0 |
0 |
0.000 |
11 |
|
[NAG]A:1117 |
12 |
1 |
362 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
7074 |
147.2 |
2.1 |
0.266 |
4 |
0 |
0 |
0.000 |
| Average: |
147.3 |
2.1 |
0.253 |
4 |
0 |
0 |
0.000 |
| 7 |
12 |
|
C |
11 |
5 |
6480 |
◊ |
B |
x,y,z |
1_555 |
18 |
10 |
7474 |
141.5 |
2.9 |
0.849 |
4 |
1 |
0 |
0.000 |
13 |
|
D |
10 |
5 |
6528 |
◊ |
A |
x,y,z |
1_555 |
18 |
10 |
7074 |
138.1 |
3.1 |
0.830 |
4 |
1 |
0 |
0.000 |
| Average: |
139.8 |
3.0 |
0.839 |
4 |
1 |
0 |
0.000 |
| 8 |
14 |
|
[NAG]C:1117 |
10 |
1 |
364 |
cf |
C |
x,y,z |
1_555 |
19 |
8 |
6480 |
131.4 |
4.8 |
0.596 |
2 |
0 |
0 |
0.000 |
15 |
|
[NAG]D:1117 |
9 |
1 |
363 |
cf |
D |
x,y,z |
1_555 |
17 |
8 |
6528 |
131.4 |
4.8 |
0.637 |
2 |
0 |
0 |
0.000 |
| Average: |
131.4 |
4.8 |
0.617 |
2 |
0 |
0 |
0.000 |
| 9 |
16 |
|
[NAG]B:1120 |
10 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
13 |
5 |
6480 |
99.5 |
3.3 |
0.410 |
1 |
0 |
0 |
0.000 |
17 |
|
[NAG]A:1117 |
10 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
12 |
5 |
6528 |
97.5 |
3.3 |
0.409 |
1 |
0 |
0 |
0.000 |
| Average: |
98.5 |
3.3 |
0.409 |
1 |
0 |
0 |
0.000 |
| 10 |
18 |
|
A |
7 |
2 |
7074 |
◊ |
C |
x-1,y,z |
1_455 |
15 |
5 |
6480 |
93.9 |
-2.0 |
0.186 |
0 |
0 |
0 |
0.000 |
| 11 |
19 |
|
[NAG]D:1118 |
10 |
1 |
360 |
cf |
D |
x,y,z |
1_555 |
8 |
4 |
6528 |
87.1 |
2.4 |
0.311 |
0 |
0 |
0 |
0.000 |
| 12 |
20 |
|
[IOD]D:1121 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
6528 |
77.0 |
0.3 |
0.802 |
0 |
0 |
0 |
0.000 |
21 |
|
[IOD]C:1120 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
6480 |
73.4 |
0.5 |
0.844 |
0 |
0 |
0 |
0.000 |
| Average: |
75.2 |
0.4 |
0.823 |
0 |
0 |
0 |
0.000 |
| 13 |
22 |
|
[IOD]C:1119 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
6480 |
76.8 |
0.2 |
0.780 |
0 |
0 |
0 |
0.000 |
23 |
|
[IOD]D:1120 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
6528 |
75.5 |
0.1 |
0.758 |
0 |
0 |
0 |
0.000 |
| Average: |
76.2 |
0.2 |
0.769 |
0 |
0 |
0 |
0.000 |
| 14 |
24 |
|
[IOD]B:1125 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
7474 |
73.3 |
-0.0 |
0.772 |
0 |
0 |
0 |
0.008 |
25 |
|
[IOD]A:1121 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
7074 |
72.1 |
-0.0 |
0.755 |
0 |
0 |
0 |
0.008 |
| Average: |
72.7 |
-0.0 |
0.763 |
0 |
0 |
0 |
0.008 |
| 15 |
26 |
|
[IOD]C:1122 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
6480 |
68.8 |
0.6 |
0.864 |
0 |
0 |
0 |
0.000 |
27 |
|
[IOD]D:1122 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
6528 |
67.7 |
0.3 |
0.811 |
0 |
0 |
0 |
0.000 |
| Average: |
68.2 |
0.4 |
0.837 |
0 |
0 |
0 |
0.000 |
| 16 |
28 |
|
[NAG]C:1118 |
7 |
1 |
356 |
cf |
C |
x,y,z |
1_555 |
5 |
2 |
6480 |
66.5 |
1.9 |
0.409 |
0 |
0 |
0 |
0.000 |
| 17 |
29 |
|
[IOD]B:1124 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
7474 |
64.6 |
-0.3 |
0.690 |
0 |
0 |
0 |
0.051 |
30 |
|
[IOD]A:1122 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
7074 |
63.7 |
-0.3 |
0.666 |
0 |
0 |
0 |
0.051 |
| Average: |
64.2 |
-0.3 |
0.678 |
0 |
0 |
0 |
0.051 |
| 18 |
31 |
|
[IOD]A:1119 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
7074 |
61.6 |
-0.2 |
0.730 |
0 |
0 |
0 |
0.036 |
32 |
|
[IOD]B:1122 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
7474 |
58.3 |
-0.3 |
0.721 |
0 |
0 |
0 |
0.036 |
| Average: |
59.9 |
-0.2 |
0.725 |
0 |
0 |
0 |
0.036 |
| 19 |
33 |
|
B |
5 |
2 |
7474 |
◊ |
D |
x-1,y,z |
1_455 |
9 |
2 |
6528 |
59.6 |
-0.9 |
0.289 |
0 |
0 |
0 |
0.000 |
| 20 |
34 |
|
A |
6 |
2 |
7074 |
◊ |
[NAG]D:1117 |
x-1,y,z |
1_455 |
5 |
1 |
363 |
53.8 |
-0.0 |
0.223 |
2 |
0 |
0 |
0.000 |
| 21 |
35 |
|
B |
8 |
3 |
7474 |
◊ |
[IOD]B:1122 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
144 |
53.5 |
-0.2 |
0.680 |
0 |
0 |
0 |
0.000 |
36 |
|
[IOD]A:1119 |
1 |
1 |
144 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
7074 |
21.2 |
-0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
| Average: |
37.4 |
-0.2 |
0.674 |
0 |
0 |
0 |
0.000 |
| 22 |
37 |
|
B |
10 |
5 |
7474 |
f |
[IOD]B:1121 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
144 |
53.0 |
-0.1 |
0.758 |
0 |
0 |
0 |
0.019 |
38 |
|
[IOD]A:1118 |
1 |
1 |
144 |
f |
A |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
5 |
7074 |
52.5 |
-0.1 |
0.750 |
0 |
0 |
0 |
0.019 |
| Average: |
52.8 |
-0.1 |
0.754 |
0 |
0 |
0 |
0.019 |
| 23 |
39 |
|
B |
4 |
1 |
7474 |
◊ |
C |
x-1,y,z |
1_455 |
6 |
3 |
6480 |
52.6 |
-1.1 |
0.268 |
0 |
0 |
0 |
0.000 |
| 24 |
40 |
|
[IOD]B:1121 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
7474 |
51.8 |
-0.1 |
0.714 |
0 |
0 |
0 |
0.000 |
41 |
|
[IOD]A:1118 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
7074 |
51.6 |
0.1 |
0.788 |
0 |
0 |
0 |
0.000 |
| Average: |
51.7 |
0.0 |
0.751 |
0 |
0 |
0 |
0.000 |
| 25 |
42 |
|
[NAG]C:1118 |
6 |
1 |
356 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
5 |
1 |
6528 |
51.6 |
2.2 |
0.449 |
0 |
0 |
0 |
0.000 |
| 26 |
43 |
|
[IOD]C:1121 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
6480 |
51.4 |
-0.1 |
0.706 |
0 |
0 |
0 |
0.023 |
44 |
|
[IOD]D:1119 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
6528 |
50.1 |
-0.0 |
0.728 |
0 |
0 |
0 |
0.023 |
| Average: |
50.7 |
-0.1 |
0.717 |
0 |
0 |
0 |
0.023 |
| 27 |
45 |
|
B |
10 |
4 |
7474 |
◊ |
[IOD]B:1123 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
144 |
48.8 |
-0.2 |
0.724 |
0 |
0 |
0 |
0.000 |
46 |
|
[IOD]A:1120 |
1 |
1 |
144 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
4 |
7074 |
45.2 |
-0.2 |
0.736 |
0 |
0 |
0 |
0.000 |
| Average: |
47.0 |
-0.2 |
0.730 |
0 |
0 |
0 |
0.000 |
| 28 |
47 |
|
B |
10 |
3 |
7474 |
◊ |
[IOD]D:1119 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
144 |
46.4 |
-0.3 |
0.676 |
0 |
0 |
0 |
0.000 |
48 |
|
[IOD]C:1121 |
1 |
1 |
144 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
7074 |
34.8 |
-0.3 |
0.599 |
0 |
0 |
0 |
0.000 |
| Average: |
40.6 |
-0.3 |
0.638 |
0 |
0 |
0 |
0.000 |
| 29 |
49 |
|
[IOD]A:1120 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
7074 |
45.3 |
-0.1 |
0.708 |
0 |
0 |
0 |
0.027 |
50 |
|
[IOD]B:1123 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
7474 |
41.5 |
-0.4 |
0.615 |
0 |
0 |
0 |
0.027 |
| Average: |
43.4 |
-0.3 |
0.662 |
0 |
0 |
0 |
0.027 |
| 30 |
51 |
|
B |
6 |
2 |
7474 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
7074 |
41.4 |
0.3 |
0.726 |
0 |
0 |
0 |
0.000 |
| 31 |
52 |
|
[IOD]D:1122 |
1 |
1 |
144 |
◊ |
[NAG]D:1117 |
x,y,z |
1_555 |
6 |
1 |
363 |
38.5 |
0.9 |
0.415 |
0 |
0 |
0 |
0.000 |
53 |
|
[IOD]C:1122 |
1 |
1 |
144 |
◊ |
[NAG]C:1117 |
x,y,z |
1_555 |
6 |
1 |
364 |
37.7 |
1.1 |
0.452 |
0 |
0 |
0 |
0.000 |
| Average: |
38.1 |
1.0 |
0.434 |
0 |
0 |
0 |
0.000 |
| 32 |
54 |
|
C |
3 |
1 |
6480 |
◊ |
[NAG]D:1117 |
-x+2,y-1/2,-z+1 |
2_746 |
5 |
1 |
363 |
34.0 |
1.1 |
0.401 |
0 |
0 |
0 |
0.000 |
| 33 |
55 |
|
[IOD]C:1121 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
7074 |
32.1 |
-0.4 |
0.432 |
0 |
0 |
0 |
0.073 |
56 |
|
[IOD]D:1119 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
7474 |
27.4 |
-0.4 |
0.462 |
0 |
0 |
0 |
0.073 |
| Average: |
29.8 |
-0.4 |
0.447 |
0 |
0 |
0 |
0.073 |
| 34 |
57 |
|
C |
4 |
2 |
6480 |
◊ |
D |
-x+2,y-1/2,-z |
2_745 |
4 |
1 |
6528 |
30.4 |
-0.1 |
0.442 |
0 |
0 |
0 |
0.000 |
| 35 |
58 |
|
[IOD]C:1119 |
1 |
1 |
144 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
7474 |
29.6 |
0.4 |
0.963 |
0 |
0 |
0 |
0.000 |
59 |
|
A |
2 |
1 |
7074 |
◊ |
[IOD]D:1120 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
144 |
24.0 |
0.3 |
0.906 |
0 |
0 |
0 |
0.000 |
| Average: |
26.8 |
0.3 |
0.935 |
0 |
0 |
0 |
0.000 |
| 36 |
60 |
|
D |
4 |
3 |
6528 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
6480 |
25.5 |
1.3 |
0.864 |
0 |
0 |
0 |
0.000 |
| 37 |
61 |
|
[NAG]C:1118 |
1 |
1 |
356 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
7074 |
25.5 |
1.5 |
0.873 |
0 |
0 |
0 |
0.000 |
| 38 |
62 |
|
A |
3 |
1 |
7074 |
◊ |
[NAG]A:1117 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
362 |
22.7 |
0.9 |
0.586 |
0 |
0 |
0 |
0.000 |
63 |
|
[NAG]B:1120 |
2 |
1 |
363 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
7474 |
12.2 |
0.6 |
0.445 |
0 |
0 |
0 |
0.000 |
| Average: |
17.4 |
0.7 |
0.516 |
0 |
0 |
0 |
0.000 |
| 39 |
64 |
|
[IOD]B:1123 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
6528 |
21.5 |
-0.3 |
0.465 |
0 |
0 |
0 |
0.046 |
65 |
|
[IOD]A:1120 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
6480 |
20.2 |
-0.3 |
0.470 |
0 |
0 |
0 |
0.046 |
| Average: |
20.9 |
-0.3 |
0.467 |
0 |
0 |
0 |
0.046 |
| 40 |
66 |
|
A |
4 |
2 |
7074 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
4 |
2 |
6528 |
20.5 |
0.4 |
0.721 |
0 |
0 |
0 |
0.000 |
| 41 |
67 |
|
B |
2 |
1 |
7474 |
◊ |
[NAG]D:1118 |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
360 |
19.7 |
1.1 |
0.473 |
0 |
0 |
0 |
0.000 |
| 42 |
68 |
|
[NAG]C:1117 |
2 |
1 |
364 |
◊ |
B |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
7474 |
14.2 |
0.4 |
0.424 |
0 |
0 |
0 |
0.000 |
| 43 |
69 |
|
[IOD]C:1121 |
1 |
1 |
144 |
f |
[IOD]A:1120 |
x,y,z |
1_555 |
1 |
1 |
144 |
12.4 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 44 |
70 |
|
[IOD]A:1120 |
1 |
1 |
144 |
◊ |
[IOD]A:1118 |
x,y,z |
1_555 |
1 |
1 |
144 |
12.1 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 45 |
71 |
|
[IOD]B:1123 |
1 |
1 |
144 |
◊ |
[IOD]B:1121 |
x,y,z |
1_555 |
1 |
1 |
144 |
11.5 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 46 |
72 |
|
C |
3 |
1 |
6480 |
f |
[IOD]D:1122 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
144 |
11.1 |
0.1 |
0.814 |
0 |
0 |
0 |
0.000 |
| 47 |
73 |
|
C |
1 |
1 |
6480 |
◊ |
[NAG]D:1118 |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
360 |
7.0 |
-0.0 |
0.201 |
0 |
0 |
0 |
0.000 |
| 48 |
74 |
|
[IOD]A:1121 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
6480 |
7.0 |
0.1 |
0.857 |
0 |
0 |
0 |
0.000 |
75 |
|
[IOD]B:1125 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
6528 |
6.5 |
0.1 |
0.831 |
0 |
0 |
0 |
0.000 |
| Average: |
6.8 |
0.1 |
0.844 |
0 |
0 |
0 |
0.000 |
| 49 |
76 |
|
[IOD]D:1119 |
1 |
1 |
144 |
f |
[IOD]B:1123 |
x,y,z |
1_555 |
1 |
1 |
144 |
6.2 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 50 |
77 |
|
[IOD]A:1119 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6480 |
4.5 |
-0.1 |
0.587 |
0 |
0 |
0 |
0.011 |
| 51 |
78 |
|
B |
1 |
1 |
7474 |
◊ |
[NAG]C:1117 |
x-1,y,z |
1_455 |
1 |
1 |
364 |
3.5 |
0.1 |
0.335 |
0 |
0 |
0 |
0.000 |
|