| ## |
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 |
331 |
77 |
11496 |
◊ |
A |
x,y,z |
1_555 |
320 |
77 |
11541 |
3247.0 |
-81.4 |
0.000 |
9 |
5 |
0 |
1.000 |
| 2 |
2 |
|
D |
89 |
20 |
2432 |
◊ |
C |
x,y,z |
1_555 |
109 |
27 |
11496 |
994.0 |
-14.3 |
0.213 |
14 |
10 |
0 |
0.801 |
3 |
|
B |
87 |
19 |
2430 |
◊ |
A |
x,y,z |
1_555 |
105 |
26 |
11541 |
985.1 |
-16.3 |
0.151 |
14 |
9 |
0 |
0.801 |
| Average: |
989.5 |
-15.3 |
0.182 |
14 |
10 |
0 |
0.801 |
| 3 |
4 |
|
D |
24 |
6 |
2432 |
◊ |
B |
x-1,y,z |
1_455 |
24 |
6 |
2430 |
243.7 |
4.7 |
0.928 |
4 |
2 |
0 |
0.000 |
| 4 |
5 |
|
A |
22 |
7 |
11541 |
x |
A |
-x+3/2,-y,z-1/2 |
2_654 |
25 |
6 |
11541 |
207.6 |
-2.1 |
0.480 |
0 |
0 |
0 |
0.000 |
6 |
|
C |
22 |
5 |
11496 |
x |
C |
-x+5/2,-y,z-1/2 |
2_754 |
20 |
6 |
11496 |
203.8 |
-2.2 |
0.450 |
0 |
0 |
0 |
0.000 |
| Average: |
205.7 |
-2.2 |
0.465 |
0 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[9R4]D:155 |
14 |
1 |
397 |
◊ |
C |
x,y,z |
1_555 |
36 |
13 |
11496 |
202.4 |
-2.5 |
0.540 |
3 |
0 |
0 |
0.137 |
8 |
|
[9R4]B:155 |
14 |
1 |
396 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
11541 |
201.9 |
-2.6 |
0.539 |
3 |
0 |
0 |
0.137 |
| Average: |
202.2 |
-2.5 |
0.539 |
3 |
0 |
0 |
0.137 |
| 6 |
9 |
|
C |
19 |
7 |
11496 |
◊ |
B |
x-1,y,z |
1_455 |
25 |
7 |
2430 |
192.0 |
1.4 |
0.844 |
3 |
0 |
0 |
0.000 |
| 7 |
10 |
|
A |
22 |
7 |
11541 |
x |
A |
-x+5/2,-y,z-1/2 |
2_754 |
20 |
5 |
11541 |
188.9 |
-2.6 |
0.492 |
1 |
0 |
0 |
0.000 |
11 |
|
C |
16 |
5 |
11496 |
x |
C |
-x+3/2,-y,z-1/2 |
2_654 |
19 |
7 |
11496 |
184.6 |
-3.6 |
0.288 |
1 |
0 |
0 |
0.000 |
| Average: |
186.7 |
-3.1 |
0.390 |
1 |
0 |
0 |
0.000 |
| 8 |
12 |
|
D |
18 |
6 |
2432 |
◊ |
A |
x-1,y,z |
1_455 |
18 |
6 |
11541 |
187.4 |
0.6 |
0.763 |
4 |
0 |
0 |
0.000 |
| 9 |
13 |
|
C |
19 |
5 |
11496 |
x |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
19 |
7 |
11496 |
182.8 |
-1.9 |
0.581 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
C |
24 |
6 |
11496 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
13 |
6 |
11541 |
164.2 |
-1.5 |
0.411 |
0 |
0 |
0 |
0.000 |
15 |
|
C |
11 |
4 |
11496 |
◊ |
A |
-x+5/2,-y,z-1/2 |
2_754 |
20 |
5 |
11541 |
127.1 |
-1.9 |
0.388 |
0 |
0 |
0 |
0.000 |
| Average: |
145.6 |
-1.7 |
0.400 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
A |
16 |
6 |
11541 |
◊ |
B |
-x+5/2,-y,z-1/2 |
2_754 |
17 |
4 |
2430 |
132.4 |
-0.2 |
0.698 |
2 |
0 |
0 |
0.000 |
| 12 |
17 |
|
C |
15 |
5 |
11496 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
12 |
4 |
11541 |
131.9 |
-2.0 |
0.446 |
1 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[9R4]D:155 |
9 |
1 |
397 |
cf |
D |
x,y,z |
1_555 |
14 |
6 |
2432 |
119.0 |
-0.8 |
0.546 |
4 |
0 |
0 |
0.118 |
19 |
|
[9R4]B:155 |
9 |
1 |
396 |
cf |
B |
x,y,z |
1_555 |
14 |
6 |
2430 |
117.7 |
-0.8 |
0.568 |
4 |
0 |
0 |
0.118 |
| Average: |
118.3 |
-0.8 |
0.557 |
4 |
0 |
0 |
0.118 |
| 14 |
20 |
|
D |
16 |
4 |
2432 |
◊ |
C |
-x+3/2,-y,z-1/2 |
2_654 |
13 |
5 |
11496 |
106.9 |
0.0 |
0.690 |
0 |
0 |
0 |
0.000 |
| 15 |
21 |
|
B |
11 |
3 |
2430 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
11496 |
93.7 |
-2.2 |
0.280 |
0 |
0 |
0 |
0.029 |
22 |
|
D |
11 |
3 |
2432 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
11541 |
91.6 |
-2.1 |
0.281 |
0 |
0 |
0 |
0.029 |
| Average: |
92.6 |
-2.1 |
0.280 |
0 |
0 |
0 |
0.029 |
| 16 |
23 |
|
A |
9 |
4 |
11541 |
◊ |
C |
-x+5/2,-y,z-1/2 |
2_754 |
7 |
3 |
11496 |
73.2 |
-1.4 |
0.396 |
1 |
0 |
0 |
0.000 |
24 |
|
A |
8 |
3 |
11541 |
◊ |
C |
-x+3/2,-y,z-1/2 |
2_654 |
8 |
4 |
11496 |
71.7 |
-1.3 |
0.425 |
0 |
0 |
0 |
0.000 |
| Average: |
72.4 |
-1.3 |
0.411 |
1 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[EDO]C:201 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
11496 |
47.3 |
1.4 |
0.924 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
A |
5 |
3 |
11541 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
6 |
2 |
11496 |
37.0 |
-0.0 |
0.690 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[EDO]B:201 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
2430 |
35.3 |
0.7 |
0.708 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
C |
6 |
2 |
11496 |
◊ |
[EDO]B:202 |
x-1,y,z |
1_455 |
2 |
1 |
185 |
28.4 |
0.3 |
0.823 |
0 |
0 |
0 |
0.000 |
| 21 |
29 |
|
D |
2 |
1 |
2432 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
11541 |
15.6 |
-0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[EDO]B:202 |
1 |
1 |
185 |
f |
[EDO]B:201 |
x,y,z |
1_555 |
1 |
1 |
186 |
11.3 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
D |
1 |
1 |
2432 |
f |
[EDO]B:202 |
x-1,y,z |
1_455 |
1 |
1 |
185 |
6.1 |
0.1 |
0.883 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
[EDO]C:201 |
1 |
1 |
185 |
f |
C |
-x+3/2,-y,z-1/2 |
2_654 |
2 |
1 |
11496 |
5.0 |
0.2 |
0.845 |
0 |
0 |
0 |
0.000 |
| 25 |
33 |
|
A |
2 |
1 |
11541 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
11541 |
3.2 |
0.1 |
0.758 |
0 |
0 |
0 |
0.000 |
|