| ## |
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 |
75 |
7 |
4262 |
◊ |
B |
x,y,z |
1_555 |
63 |
20 |
9487 |
606.1 |
-7.6 |
0.483 |
11 |
0 |
0 |
0.444 |
2 |
|
C |
72 |
7 |
4298 |
◊ |
A |
x,y,z |
1_555 |
61 |
21 |
8828 |
600.5 |
-5.8 |
0.642 |
9 |
0 |
0 |
0.444 |
| Average: |
603.3 |
-6.7 |
0.562 |
10 |
0 |
0 |
0.444 |
| 2 |
3 |
|
G |
44 |
9 |
2161 |
◊ |
F |
x,y,z |
1_555 |
41 |
10 |
4262 |
410.8 |
-1.4 |
0.742 |
16 |
0 |
0 |
1.000 |
4 |
|
D |
41 |
9 |
2155 |
◊ |
C |
x,y,z |
1_555 |
42 |
10 |
4298 |
409.2 |
-2.8 |
0.714 |
21 |
0 |
0 |
1.000 |
| Average: |
410.0 |
-2.1 |
0.728 |
19 |
0 |
0 |
1.000 |
| 3 |
5 |
|
E |
34 |
8 |
2045 |
◊ |
C |
x,y,z |
1_555 |
39 |
8 |
4298 |
355.5 |
-3.2 |
0.659 |
15 |
0 |
0 |
1.000 |
6 |
|
H |
34 |
8 |
2017 |
◊ |
F |
x,y,z |
1_555 |
35 |
8 |
4262 |
352.9 |
-3.7 |
0.605 |
19 |
0 |
0 |
1.000 |
| Average: |
354.2 |
-3.4 |
0.632 |
17 |
0 |
0 |
1.000 |
| 4 |
7 |
|
[DGT]A:201 |
28 |
1 |
556 |
f |
A |
x,y,z |
1_555 |
43 |
18 |
8828 |
288.4 |
-0.7 |
0.586 |
5 |
0 |
0 |
0.112 |
8 |
|
[DGT]B:201 |
29 |
1 |
562 |
f |
B |
x,y,z |
1_555 |
41 |
18 |
9487 |
285.1 |
-0.6 |
0.563 |
5 |
0 |
0 |
0.112 |
| Average: |
286.7 |
-0.6 |
0.575 |
5 |
0 |
0 |
0.112 |
| 5 |
9 |
|
H |
31 |
3 |
2017 |
◊ |
B |
x,y,z |
1_555 |
31 |
10 |
9487 |
264.1 |
-5.9 |
0.388 |
7 |
0 |
0 |
0.363 |
10 |
|
E |
21 |
2 |
2045 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
8828 |
193.0 |
-3.6 |
0.503 |
7 |
0 |
0 |
0.363 |
| Average: |
228.5 |
-4.8 |
0.445 |
7 |
0 |
0 |
0.363 |
| 6 |
11 |
|
A |
21 |
10 |
8828 |
◊ |
B |
x,y-1,z |
1_545 |
17 |
6 |
9487 |
166.2 |
-2.6 |
0.441 |
1 |
0 |
0 |
0.000 |
| 7 |
12 |
|
C |
19 |
3 |
4298 |
◊ |
B |
-x+2,-y+2,z |
2_775 |
17 |
5 |
9487 |
160.8 |
-2.4 |
0.592 |
3 |
0 |
0 |
0.000 |
13 |
|
F |
16 |
3 |
4262 |
◊ |
A |
-x+2,-y+2,z |
2_775 |
11 |
4 |
8828 |
122.8 |
-2.1 |
0.383 |
2 |
0 |
0 |
0.000 |
| Average: |
141.8 |
-2.3 |
0.488 |
3 |
0 |
0 |
0.000 |
| 8 |
14 |
|
F |
22 |
2 |
4262 |
x |
F |
x-1/2,-y+5/2,-z+2 |
4_477 |
17 |
2 |
4262 |
135.4 |
2.2 |
0.877 |
0 |
0 |
0 |
0.000 |
15 |
|
C |
20 |
2 |
4298 |
x |
C |
x-1/2,-y+3/2,-z+3 |
4_468 |
16 |
2 |
4298 |
126.7 |
4.1 |
0.892 |
0 |
0 |
0 |
0.000 |
| Average: |
131.0 |
3.2 |
0.884 |
0 |
0 |
0 |
0.000 |
| 9 |
16 |
|
H |
16 |
1 |
2017 |
◊ |
G |
x-1/2,-y+5/2,-z+2 |
4_477 |
19 |
2 |
2161 |
127.4 |
2.3 |
0.747 |
0 |
0 |
0 |
0.000 |
| 10 |
17 |
|
E |
16 |
1 |
2045 |
◊ |
D |
x-1/2,-y+3/2,-z+3 |
4_468 |
21 |
2 |
2155 |
127.4 |
2.4 |
0.767 |
0 |
0 |
0 |
0.000 |
| 11 |
18 |
|
C |
14 |
3 |
4298 |
◊ |
B |
-x+5/2,y-1/2,-z+3 |
3_748 |
13 |
6 |
9487 |
111.5 |
-3.0 |
0.449 |
1 |
0 |
0 |
0.000 |
| 12 |
19 |
|
D |
14 |
3 |
2155 |
◊ |
B |
-x+5/2,y-1/2,-z+3 |
3_748 |
16 |
6 |
9487 |
111.0 |
-0.3 |
0.604 |
1 |
0 |
0 |
0.000 |
20 |
|
A |
14 |
5 |
8828 |
◊ |
G |
-x+5/2,y-1/2,-z+2 |
3_747 |
15 |
3 |
2161 |
105.2 |
-2.2 |
0.487 |
2 |
0 |
0 |
0.000 |
| Average: |
108.1 |
-1.2 |
0.545 |
2 |
0 |
0 |
0.000 |
| 13 |
21 |
|
B |
13 |
5 |
9487 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
8828 |
107.8 |
-1.6 |
0.347 |
0 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[DGT]B:201 |
16 |
1 |
562 |
◊ |
G |
x,y,z |
1_555 |
14 |
1 |
2161 |
104.7 |
2.8 |
0.623 |
0 |
0 |
0 |
0.000 |
23 |
|
[DGT]A:201 |
16 |
1 |
556 |
◊ |
D |
x,y,z |
1_555 |
13 |
1 |
2155 |
101.3 |
3.3 |
0.644 |
0 |
0 |
0 |
0.000 |
| Average: |
103.0 |
3.0 |
0.633 |
0 |
0 |
0 |
0.000 |
| 15 |
24 |
|
H |
10 |
1 |
2017 |
◊ |
F |
x-1/2,-y+5/2,-z+2 |
4_477 |
8 |
1 |
4262 |
76.1 |
1.5 |
0.760 |
0 |
0 |
0 |
0.000 |
| 16 |
25 |
|
A |
9 |
5 |
8828 |
◊ |
F |
-x+5/2,y-1/2,-z+2 |
3_747 |
9 |
1 |
4262 |
70.8 |
-1.3 |
0.473 |
0 |
0 |
0 |
0.000 |
| 17 |
26 |
|
D |
10 |
3 |
2155 |
◊ |
A |
x,y,z |
1_555 |
8 |
7 |
8828 |
58.2 |
-0.1 |
0.651 |
1 |
0 |
0 |
0.019 |
27 |
|
G |
12 |
3 |
2161 |
◊ |
B |
x,y,z |
1_555 |
11 |
7 |
9487 |
51.6 |
-0.7 |
0.594 |
1 |
0 |
0 |
0.019 |
| Average: |
54.9 |
-0.4 |
0.622 |
1 |
0 |
0 |
0.019 |
| 18 |
28 |
|
[DGT]A:201 |
5 |
1 |
556 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
4298 |
53.6 |
0.6 |
0.635 |
1 |
0 |
0 |
0.000 |
29 |
|
[DGT]B:201 |
5 |
1 |
562 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
4262 |
50.7 |
0.6 |
0.621 |
1 |
0 |
0 |
0.000 |
| Average: |
52.1 |
0.6 |
0.628 |
1 |
0 |
0 |
0.000 |
| 19 |
30 |
|
E |
8 |
1 |
2045 |
◊ |
C |
x-1/2,-y+3/2,-z+3 |
4_468 |
7 |
1 |
4298 |
50.2 |
1.3 |
0.729 |
1 |
0 |
0 |
0.000 |
| 20 |
31 |
|
[MN]B:202 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
9487 |
42.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.120 |
32 |
|
[MN]A:202 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
8828 |
42.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.120 |
| Average: |
42.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.120 |
| 21 |
33 |
|
[MN]B:203 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
9487 |
40.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.115 |
34 |
|
[MN]A:203 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8828 |
39.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.115 |
| Average: |
40.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.115 |
| 22 |
35 |
|
[MN]B:202 |
1 |
1 |
123 |
f |
[DGT]B:201 |
x,y,z |
1_555 |
7 |
1 |
562 |
38.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.127 |
36 |
|
[MN]A:202 |
1 |
1 |
123 |
f |
[DGT]A:201 |
x,y,z |
1_555 |
7 |
1 |
556 |
37.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.127 |
| Average: |
38.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.127 |
| 23 |
37 |
|
[MN]B:203 |
1 |
1 |
123 |
f |
[DGT]B:201 |
x,y,z |
1_555 |
4 |
1 |
562 |
32.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.107 |
38 |
|
[MN]A:203 |
1 |
1 |
123 |
f |
[DGT]A:201 |
x,y,z |
1_555 |
4 |
1 |
556 |
31.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.107 |
| Average: |
31.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.107 |
| 24 |
39 |
|
F |
4 |
2 |
4262 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
8828 |
24.6 |
-1.7 |
0.250 |
0 |
0 |
0 |
0.000 |
| 25 |
40 |
|
[MN]A:203 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
2155 |
22.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.027 |
41 |
|
[MN]B:203 |
1 |
1 |
123 |
◊ |
G |
x,y,z |
1_555 |
4 |
1 |
2161 |
20.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.027 |
| Average: |
21.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.027 |
| 26 |
42 |
|
C |
4 |
1 |
4298 |
◊ |
D |
x-1/2,-y+3/2,-z+3 |
4_468 |
3 |
1 |
2155 |
17.3 |
-0.1 |
0.483 |
0 |
0 |
0 |
0.000 |
| 27 |
43 |
|
[MN]A:203 |
1 |
1 |
123 |
f |
[MN]A:202 |
x,y,z |
1_555 |
1 |
1 |
123 |
14.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.035 |
| 28 |
44 |
|
[MN]B:203 |
1 |
1 |
123 |
f |
[MN]B:202 |
x,y,z |
1_555 |
1 |
1 |
123 |
14.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.057 |
| 29 |
45 |
|
C |
4 |
2 |
4298 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
9487 |
13.3 |
-0.6 |
0.575 |
0 |
0 |
0 |
0.000 |
| 30 |
46 |
|
F |
2 |
1 |
4262 |
◊ |
G |
x-1/2,-y+5/2,-z+2 |
4_477 |
3 |
1 |
2161 |
8.4 |
0.0 |
0.474 |
0 |
0 |
0 |
0.000 |
| 31 |
47 |
|
E |
1 |
1 |
2045 |
◊ |
B |
-x+2,-y+2,z |
2_775 |
1 |
1 |
9487 |
4.9 |
0.0 |
0.425 |
0 |
0 |
0 |
0.000 |
| 32 |
48 |
|
H |
2 |
2 |
2017 |
◊ |
B |
-x+2,-y+3,z |
2_785 |
2 |
1 |
9487 |
2.5 |
-0.1 |
0.490 |
0 |
0 |
0 |
0.000 |
| 33 |
49 |
|
G |
1 |
1 |
2161 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8828 |
2.3 |
-0.2 |
0.323 |
0 |
0 |
0 |
0.000 |
|