| ## |
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 |
109 |
31 |
17536 |
◊ |
B |
x,y,z |
1_555 |
118 |
33 |
16339 |
1125.5 |
-13.9 |
0.056 |
9 |
8 |
0 |
0.295 |
2 |
|
C |
119 |
32 |
17536 |
◊ |
A |
x,y,z |
1_555 |
101 |
30 |
16402 |
1115.4 |
-12.5 |
0.086 |
11 |
9 |
0 |
0.295 |
3 |
|
B |
106 |
32 |
16339 |
◊ |
A |
x,y,z |
1_555 |
116 |
32 |
16402 |
1113.0 |
-12.6 |
0.086 |
12 |
9 |
0 |
0.295 |
| Average: |
1118.0 |
-13.0 |
0.076 |
11 |
9 |
0 |
0.295 |
| 2 |
4 |
|
C |
83 |
23 |
17536 |
◊ |
A |
-y-1,x-y,z-1/3 |
2_454 |
89 |
31 |
16402 |
805.5 |
-3.9 |
0.498 |
8 |
2 |
0 |
0.008 |
| 3 |
5 |
|
B |
69 |
22 |
16339 |
◊ |
C |
-y-1,x-y-1,z-1/3 |
2_444 |
69 |
22 |
17536 |
605.7 |
-2.2 |
0.602 |
3 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
44 |
20 |
16339 |
◊ |
A |
-y-1,x-y,z-1/3 |
2_454 |
50 |
17 |
16402 |
414.8 |
0.7 |
0.766 |
2 |
3 |
0 |
0.000 |
| 5 |
7 |
|
B |
40 |
13 |
16339 |
◊ |
C |
x-1,y,z |
1_455 |
48 |
15 |
17536 |
372.2 |
1.0 |
0.632 |
5 |
1 |
0 |
0.000 |
| 6 |
8 |
|
B |
43 |
15 |
16339 |
◊ |
A |
-y-2,x-y-1,z-1/3 |
2_344 |
32 |
8 |
16402 |
353.8 |
-1.0 |
0.611 |
2 |
3 |
0 |
0.000 |
| 7 |
9 |
|
[D3M]A:601 |
13 |
1 |
352 |
f |
A |
x,y,z |
1_555 |
43 |
22 |
16402 |
271.6 |
-8.8 |
0.339 |
4 |
0 |
0 |
0.107 |
10 |
|
[D3M]B:601 |
13 |
1 |
352 |
f |
B |
x,y,z |
1_555 |
38 |
22 |
16339 |
268.0 |
-8.5 |
0.356 |
4 |
0 |
0 |
0.107 |
| Average: |
269.8 |
-8.6 |
0.348 |
4 |
0 |
0 |
0.107 |
| 8 |
11 |
|
B |
23 |
9 |
16339 |
◊ |
C |
x-1,y-1,z |
1_445 |
29 |
7 |
17536 |
231.7 |
-2.4 |
0.364 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[FES]A:501 |
4 |
1 |
238 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
16402 |
115.3 |
-15.0 |
0.632 |
3 |
0 |
0 |
0.251 |
13 |
|
[FES]B:501 |
4 |
1 |
238 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
16339 |
115.0 |
-15.1 |
0.640 |
2 |
0 |
0 |
0.251 |
14 |
|
[FES]C:501 |
4 |
1 |
237 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
17536 |
114.9 |
-15.0 |
0.635 |
3 |
0 |
0 |
0.251 |
| Average: |
115.1 |
-15.0 |
0.636 |
3 |
0 |
0 |
0.251 |
| 10 |
15 |
|
C |
14 |
4 |
17536 |
◊ |
A |
-y,x-y,z-1/3 |
2_554 |
11 |
3 |
16402 |
97.5 |
-0.6 |
0.543 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[CO]C:502 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
17536 |
64.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.190 |
17 |
|
[CO]A:502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
16402 |
63.3 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.190 |
18 |
|
[CO]B:502 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
16339 |
62.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.190 |
| Average: |
63.2 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.190 |
| 12 |
19 |
|
[CO]A:602 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
16402 |
48.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.086 |
20 |
|
[CO]B:602 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
16339 |
45.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.086 |
21 |
|
[CO]C:602 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
17536 |
44.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.086 |
| Average: |
46.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.086 |
| 13 |
22 |
|
[CO]B:603 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
16339 |
46.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.026 |
| 14 |
23 |
|
C |
6 |
2 |
17536 |
◊ |
[CO]A:602 |
-y-1,x-y,z-1/3 |
2_454 |
1 |
1 |
125 |
42.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.005 |
| 15 |
24 |
|
[CO]B:602 |
1 |
1 |
125 |
◊ |
C |
-y-1,x-y-1,z-1/3 |
2_444 |
7 |
4 |
17536 |
36.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
|
B |
7 |
4 |
16339 |
◊ |
[CO]C:602 |
-y-1,x-y-1,z-1/3 |
2_444 |
1 |
1 |
125 |
36.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
36.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 16 |
26 |
|
C |
3 |
1 |
17536 |
x |
C |
-y,x-y,z-1/3 |
2_554 |
5 |
1 |
17536 |
36.4 |
1.1 |
0.878 |
2 |
0 |
0 |
0.000 |
| 17 |
27 |
|
[FES]A:501 |
3 |
1 |
238 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
16339 |
26.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.029 |
28 |
|
[FES]C:501 |
3 |
1 |
237 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
16402 |
26.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.029 |
29 |
|
[FES]B:501 |
3 |
1 |
238 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
17536 |
24.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
25.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.029 |
| 18 |
30 |
|
A |
1 |
1 |
16402 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
17536 |
15.8 |
0.8 |
0.923 |
0 |
0 |
0 |
0.000 |
| 19 |
31 |
|
[D3M]B:601 |
1 |
1 |
352 |
f |
[CO]B:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.008 |
32 |
|
[D3M]A:601 |
1 |
1 |
352 |
f |
[CO]A:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
11.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.008 |
| 20 |
33 |
|
[CO]B:603 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
17536 |
11.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
| 21 |
34 |
|
[CO]B:603 |
1 |
1 |
125 |
◊ |
C |
-y-1,x-y-1,z-1/3 |
2_444 |
1 |
1 |
17536 |
5.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 22 |
35 |
|
[CO]C:502 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16339 |
1.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 23 |
36 |
|
C |
1 |
1 |
17536 |
x |
C |
-y-1,x-y-1,z-1/3 |
2_444 |
1 |
1 |
17536 |
0.9 |
0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
|