| ## |
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 |
|
F |
123 |
29 |
8965 |
◊ |
A |
x,y,z |
1_555 |
127 |
39 |
10453 |
1183.5 |
-10.7 |
0.291 |
7 |
2 |
0 |
0.286 |
2 |
|
D |
121 |
28 |
8750 |
◊ |
B |
x,y,z |
1_555 |
121 |
39 |
10021 |
1138.3 |
-11.3 |
0.279 |
7 |
2 |
0 |
0.286 |
| Average: |
1160.9 |
-11.0 |
0.285 |
7 |
2 |
0 |
0.286 |
| 2 |
3 |
|
A |
72 |
16 |
10453 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
72 |
15 |
10021 |
675.6 |
-4.4 |
0.447 |
6 |
4 |
0 |
0.181 |
| 3 |
4 |
|
[GDP]F:201 |
28 |
1 |
566 |
f |
F |
x,y,z |
1_555 |
55 |
21 |
8965 |
350.4 |
-7.3 |
0.433 |
10 |
0 |
0 |
0.231 |
5 |
|
[GDP]D:201 |
27 |
1 |
571 |
f |
D |
x,y,z |
1_555 |
53 |
19 |
8750 |
348.7 |
-7.5 |
0.450 |
10 |
0 |
0 |
0.231 |
| Average: |
349.5 |
-7.4 |
0.441 |
10 |
0 |
0 |
0.231 |
| 4 |
6 |
|
F |
31 |
8 |
8965 |
◊ |
B |
x,y,z |
1_555 |
37 |
14 |
10021 |
313.6 |
0.1 |
0.580 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
A |
30 |
9 |
10453 |
x |
A |
x-1,y,z |
1_455 |
29 |
8 |
10453 |
283.0 |
3.2 |
0.905 |
5 |
4 |
0 |
0.000 |
8 |
|
B |
25 |
8 |
10021 |
x |
B |
x-1,y,z |
1_455 |
24 |
6 |
10021 |
231.0 |
0.6 |
0.711 |
2 |
0 |
0 |
0.000 |
| Average: |
257.0 |
1.9 |
0.808 |
4 |
2 |
0 |
0.000 |
| 6 |
9 |
|
B |
31 |
9 |
10021 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
30 |
9 |
10453 |
282.8 |
0.0 |
0.598 |
0 |
1 |
0 |
0.000 |
| 7 |
10 |
|
F |
34 |
9 |
8965 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
28 |
8 |
8750 |
261.4 |
-0.4 |
0.660 |
1 |
0 |
0 |
0.000 |
| 8 |
11 |
|
D |
25 |
10 |
8750 |
x |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
20 |
6 |
8750 |
209.3 |
-0.4 |
0.579 |
1 |
2 |
0 |
0.000 |
| 9 |
12 |
|
D |
21 |
7 |
8750 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
10453 |
174.4 |
-1.8 |
0.324 |
2 |
4 |
0 |
0.000 |
| 10 |
13 |
|
[MGF]F:203 |
4 |
1 |
198 |
f |
F |
x,y,z |
1_555 |
21 |
11 |
8965 |
83.0 |
1.8 |
0.619 |
4 |
0 |
0 |
0.000 |
14 |
|
[MGF]D:203 |
4 |
1 |
197 |
f |
D |
x,y,z |
1_555 |
22 |
11 |
8750 |
82.8 |
1.8 |
0.636 |
4 |
0 |
0 |
0.000 |
| Average: |
82.9 |
1.8 |
0.627 |
4 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[CL]B:1501 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
10021 |
75.0 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.520 |
16 |
|
[CL]A:1502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
10453 |
73.9 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.520 |
| Average: |
74.4 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.520 |
| 12 |
17 |
|
F |
10 |
4 |
8965 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
3 |
10453 |
73.5 |
-1.6 |
0.181 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
F |
7 |
2 |
8965 |
◊ |
D |
-x+3/2,-y+1,z-1/2 |
2_664 |
8 |
2 |
8750 |
72.9 |
0.6 |
0.727 |
2 |
2 |
0 |
0.000 |
| 14 |
19 |
|
F |
8 |
3 |
8965 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
8750 |
65.0 |
1.7 |
0.898 |
1 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[GDP]D:201 |
8 |
1 |
571 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
10021 |
63.9 |
-0.3 |
0.751 |
2 |
0 |
0 |
0.023 |
21 |
|
[GDP]F:201 |
7 |
1 |
566 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
10453 |
61.2 |
-0.2 |
0.738 |
2 |
0 |
0 |
0.023 |
| Average: |
62.6 |
-0.3 |
0.744 |
2 |
0 |
0 |
0.023 |
| 16 |
22 |
|
[CL]A:1501 |
1 |
1 |
125 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
9 |
4 |
10021 |
48.6 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.299 |
23 |
|
[CL]A:1501 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
10453 |
48.0 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.299 |
| Average: |
48.3 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.299 |
| 17 |
24 |
|
[MGF]D:203 |
4 |
1 |
197 |
f |
[GDP]D:201 |
x,y,z |
1_555 |
5 |
1 |
571 |
39.5 |
-2.0 |
0.323 |
1 |
0 |
0 |
0.048 |
25 |
|
[MGF]F:203 |
4 |
1 |
198 |
f |
[GDP]F:201 |
x,y,z |
1_555 |
5 |
1 |
566 |
38.6 |
-2.0 |
0.326 |
1 |
0 |
0 |
0.048 |
| Average: |
39.1 |
-2.0 |
0.325 |
1 |
0 |
0 |
0.048 |
| 18 |
26 |
|
[MG]F:202 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
8965 |
35.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.098 |
27 |
|
[MG]D:202 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
8750 |
34.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.098 |
| Average: |
34.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.098 |
| 19 |
28 |
|
[MGF]F:203 |
3 |
1 |
198 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
10453 |
31.7 |
0.8 |
0.353 |
1 |
0 |
0 |
0.000 |
29 |
|
[MGF]D:203 |
3 |
1 |
197 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
10021 |
31.7 |
0.9 |
0.353 |
1 |
0 |
0 |
0.000 |
| Average: |
31.7 |
0.9 |
0.353 |
1 |
0 |
0 |
0.000 |
| 20 |
30 |
|
[MG]D:202 |
1 |
1 |
98 |
f |
[GDP]D:201 |
x,y,z |
1_555 |
4 |
1 |
571 |
25.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.072 |
31 |
|
[MG]F:202 |
1 |
1 |
98 |
f |
[GDP]F:201 |
x,y,z |
1_555 |
4 |
1 |
566 |
24.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.072 |
| Average: |
25.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.072 |
| 21 |
32 |
|
[MGF]D:203 |
2 |
1 |
197 |
f |
[MG]D:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.030 |
33 |
|
[MGF]F:203 |
1 |
1 |
198 |
f |
[MG]F:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
19.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.030 |
| 22 |
34 |
|
F |
5 |
1 |
8965 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
10453 |
17.2 |
-0.3 |
0.492 |
0 |
0 |
0 |
0.000 |
| 23 |
35 |
|
D |
1 |
1 |
8750 |
x |
D |
x-1,y,z |
1_455 |
4 |
3 |
8750 |
8.7 |
0.3 |
0.725 |
0 |
0 |
0 |
0.000 |
| 24 |
36 |
|
[MG]D:202 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10021 |
8.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.012 |
37 |
|
[MG]F:202 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10453 |
8.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
8.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.012 |
|