| ## |
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 |
|
D |
83 |
14 |
3398 |
◊ |
C |
x,y,z |
1_555 |
96 |
20 |
8674 |
751.9 |
-6.9 |
0.982 |
31 |
0 |
0 |
0.357 |
2 |
|
B |
79 |
14 |
3394 |
◊ |
A |
x,y,z |
1_555 |
101 |
20 |
8813 |
734.9 |
-4.5 |
0.982 |
33 |
0 |
0 |
0.357 |
| Average: |
743.4 |
-5.7 |
0.982 |
32 |
0 |
0 |
0.357 |
| 2 |
3 |
|
C |
43 |
7 |
8674 |
◊ |
A |
x,y,z |
1_555 |
40 |
7 |
8813 |
288.4 |
0.7 |
0.969 |
6 |
0 |
0 |
0.000 |
| 3 |
4 |
|
A |
26 |
5 |
8813 |
◊ |
D |
-y+7/2,x-1/2,z+1/2 |
3_845 |
21 |
2 |
3398 |
208.4 |
-2.0 |
0.838 |
0 |
0 |
0 |
0.000 |
5 |
|
B |
21 |
2 |
3394 |
◊ |
C |
-y+7/2,x-1/2,z+1/2 |
3_845 |
28 |
5 |
8674 |
203.5 |
-1.0 |
0.881 |
1 |
0 |
0 |
0.000 |
| Average: |
205.9 |
-1.5 |
0.859 |
1 |
0 |
0 |
0.000 |
| 4 |
6 |
|
[Q61]B:10 |
22 |
1 |
543 |
cf |
B |
x,y,z |
1_555 |
25 |
4 |
3394 |
202.9 |
-0.8 |
0.686 |
1 |
0 |
0 |
0.100 |
7 |
|
[Q61]D:10 |
22 |
1 |
540 |
cf |
D |
x,y,z |
1_555 |
25 |
4 |
3398 |
199.1 |
-1.0 |
0.671 |
1 |
0 |
0 |
0.100 |
| Average: |
201.0 |
-0.9 |
0.679 |
1 |
0 |
0 |
0.100 |
| 5 |
8 |
|
[Q61]D:10 |
19 |
1 |
540 |
◊ |
C |
x,y,z |
1_555 |
31 |
7 |
8674 |
201.7 |
0.8 |
0.779 |
6 |
0 |
0 |
0.033 |
9 |
|
[Q61]B:10 |
19 |
1 |
543 |
◊ |
A |
x,y,z |
1_555 |
30 |
6 |
8813 |
201.5 |
0.5 |
0.769 |
5 |
0 |
0 |
0.033 |
| Average: |
201.6 |
0.6 |
0.774 |
6 |
0 |
0 |
0.033 |
| 6 |
10 |
|
B |
13 |
1 |
3394 |
◊ |
A |
y+1,x-1,-z+2 |
7_647 |
18 |
3 |
8813 |
103.8 |
0.1 |
0.847 |
0 |
0 |
0 |
0.000 |
| 7 |
11 |
|
D |
14 |
1 |
3398 |
◊ |
C |
y+1,x-1,-z+2 |
7_647 |
18 |
5 |
8674 |
101.5 |
-0.8 |
0.819 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
C |
9 |
5 |
8674 |
◊ |
C |
-y+3,-x+3,-z+2 |
8_887 |
10 |
5 |
8674 |
67.9 |
-1.1 |
0.701 |
0 |
0 |
0 |
0.000 |
| 9 |
13 |
|
C |
13 |
2 |
8674 |
◊ |
C |
y+1,x-1,-z+2 |
7_647 |
12 |
2 |
8674 |
67.3 |
-1.4 |
0.743 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
B |
8 |
1 |
3394 |
◊ |
B |
y+1,x-1,-z+2 |
7_647 |
8 |
1 |
3394 |
57.4 |
2.2 |
0.890 |
0 |
0 |
0 |
0.000 |
| 11 |
15 |
|
A |
8 |
5 |
8813 |
◊ |
C |
-y+7/2,x-1/2,z+1/2 |
3_845 |
9 |
5 |
8674 |
55.3 |
-3.9 |
0.393 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[MG]C:103 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
8674 |
52.0 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.127 |
| 13 |
17 |
|
[MG]A:104 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
8813 |
51.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.142 |
18 |
|
[MG]C:104 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
8674 |
50.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.142 |
| Average: |
51.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.142 |
| 14 |
19 |
|
[MG]C:102 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
8674 |
50.6 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.137 |
20 |
|
[MG]A:102 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
8813 |
50.3 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.137 |
| Average: |
50.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.137 |
| 15 |
21 |
|
A |
8 |
2 |
8813 |
◊ |
A |
y+1,x-1,-z+2 |
7_647 |
8 |
2 |
8813 |
49.2 |
-1.6 |
0.600 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[MG]C:101 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
8674 |
47.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.111 |
23 |
|
[MG]A:101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
8813 |
43.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.111 |
| Average: |
45.6 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.111 |
| 17 |
24 |
|
[MG]A:103 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8813 |
41.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.096 |
25 |
|
[MG]C:105 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
8674 |
39.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.096 |
| Average: |
40.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.096 |
| 18 |
26 |
|
D |
5 |
1 |
3398 |
◊ |
D |
y+1,x-1,-z+2 |
7_647 |
5 |
1 |
3398 |
35.3 |
1.3 |
0.809 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[Q61]B:10 |
3 |
1 |
543 |
◊ |
[MG]A:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.059 |
28 |
|
[Q61]D:10 |
3 |
1 |
540 |
◊ |
[MG]C:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
23.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.059 |
| 20 |
29 |
|
[MG]A:101 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
3394 |
18.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.029 |
30 |
|
[MG]C:101 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
3398 |
15.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
16.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.029 |
| 21 |
31 |
|
C |
1 |
1 |
8674 |
◊ |
A |
y+1,x-1,-z+2 |
7_647 |
1 |
1 |
8813 |
10.6 |
-1.2 |
0.205 |
0 |
0 |
0 |
0.000 |
| 22 |
32 |
|
[Q61]D:10 |
3 |
1 |
540 |
◊ |
[MG]C:102 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.014 |
33 |
|
[Q61]B:10 |
2 |
1 |
543 |
◊ |
[MG]A:102 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
7.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.014 |
| 23 |
34 |
|
[Q61]D:10 |
1 |
1 |
540 |
◊ |
[MG]C:103 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|