| ## |
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 |
111 |
31 |
8558 |
◊ |
C |
-x,y,-z-1/2 |
3_554 |
111 |
31 |
8558 |
1099.1 |
-13.3 |
0.369 |
8 |
8 |
0 |
0.357 |
2 |
|
B |
109 |
31 |
8345 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
107 |
30 |
8643 |
1047.5 |
-14.5 |
0.237 |
8 |
4 |
0 |
0.357 |
| Average: |
1073.3 |
-13.9 |
0.303 |
8 |
6 |
0 |
0.357 |
| 2 |
3 |
|
[COD]B:201 |
42 |
1 |
903 |
f |
B |
x,y,z |
1_555 |
87 |
35 |
8345 |
646.5 |
-12.2 |
0.737 |
13 |
0 |
0 |
0.688 |
4 |
|
[COD]C:201 |
42 |
1 |
900 |
f |
C |
x,y,z |
1_555 |
89 |
35 |
8558 |
629.0 |
-11.1 |
0.749 |
17 |
0 |
0 |
0.688 |
5 |
|
[COD]A:201 |
42 |
1 |
900 |
f |
A |
x,y,z |
1_555 |
93 |
36 |
8643 |
628.4 |
-10.5 |
0.736 |
17 |
0 |
0 |
0.688 |
| Average: |
634.7 |
-11.3 |
0.740 |
16 |
0 |
0 |
0.688 |
| 3 |
6 |
|
C |
68 |
20 |
8558 |
◊ |
A |
x,y,z |
1_555 |
59 |
15 |
8643 |
591.9 |
-9.0 |
0.223 |
6 |
0 |
0 |
0.363 |
7 |
|
C |
59 |
16 |
8558 |
◊ |
B |
x,y,z |
1_555 |
65 |
19 |
8345 |
579.4 |
-9.4 |
0.206 |
5 |
0 |
0 |
0.363 |
8 |
|
B |
58 |
15 |
8345 |
◊ |
A |
x,y,z |
1_555 |
67 |
19 |
8643 |
562.0 |
-9.5 |
0.182 |
6 |
0 |
0 |
0.363 |
| Average: |
577.8 |
-9.3 |
0.204 |
6 |
0 |
0 |
0.363 |
| 4 |
9 |
|
C |
39 |
11 |
8558 |
◊ |
A |
-x+1/2,y-1/2,-z-1/2 |
7_544 |
41 |
11 |
8643 |
379.9 |
0.7 |
0.811 |
6 |
0 |
0 |
0.000 |
| 5 |
10 |
|
B |
40 |
14 |
8345 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
40 |
10 |
8643 |
345.5 |
0.6 |
0.796 |
4 |
0 |
0 |
0.000 |
| 6 |
11 |
|
C |
19 |
8 |
8558 |
◊ |
C |
x,-y,-z |
4_555 |
19 |
8 |
8558 |
178.3 |
-4.3 |
0.177 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
C |
13 |
4 |
8558 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
13 |
4 |
8345 |
120.5 |
-2.8 |
0.240 |
0 |
0 |
0 |
0.033 |
13 |
|
A |
13 |
4 |
8643 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
13 |
4 |
8643 |
119.2 |
-2.7 |
0.210 |
0 |
0 |
0 |
0.033 |
| Average: |
119.8 |
-2.7 |
0.225 |
0 |
0 |
0 |
0.033 |
| 8 |
14 |
|
[EDO]A:202 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
8643 |
110.2 |
4.1 |
0.730 |
4 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[COD]B:201 |
10 |
1 |
903 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
8643 |
105.3 |
-3.3 |
0.473 |
1 |
0 |
0 |
0.106 |
16 |
|
[COD]C:201 |
9 |
1 |
900 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
8345 |
93.9 |
-2.9 |
0.523 |
1 |
0 |
0 |
0.106 |
17 |
|
[COD]A:201 |
9 |
1 |
900 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
8558 |
91.4 |
-2.8 |
0.512 |
1 |
0 |
0 |
0.106 |
| Average: |
96.9 |
-3.0 |
0.503 |
1 |
0 |
0 |
0.106 |
| 10 |
18 |
|
[EDO]A:203 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
8643 |
89.1 |
2.0 |
0.381 |
1 |
0 |
0 |
0.000 |
| 11 |
19 |
|
[EDO]C:202 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
8643 |
85.6 |
1.2 |
0.216 |
4 |
0 |
0 |
0.011 |
20 |
|
[EDO]B:202 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
8558 |
84.7 |
1.4 |
0.241 |
3 |
0 |
0 |
0.011 |
| Average: |
85.1 |
1.3 |
0.228 |
4 |
0 |
0 |
0.011 |
| 12 |
21 |
|
[EDO]B:202 |
3 |
1 |
184 |
f |
[COD]C:201 |
x,y,z |
1_555 |
9 |
1 |
900 |
44.6 |
-0.1 |
0.857 |
1 |
0 |
0 |
0.018 |
22 |
|
[EDO]C:202 |
3 |
1 |
184 |
f |
[COD]A:201 |
x,y,z |
1_555 |
9 |
1 |
900 |
44.3 |
0.0 |
0.854 |
1 |
0 |
0 |
0.018 |
| Average: |
44.4 |
-0.0 |
0.855 |
1 |
0 |
0 |
0.018 |
| 13 |
23 |
|
[EDO]B:202 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8345 |
43.3 |
1.3 |
0.314 |
1 |
0 |
0 |
0.000 |
24 |
|
[EDO]C:202 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
8558 |
42.1 |
1.3 |
0.316 |
1 |
0 |
0 |
0.000 |
| Average: |
42.7 |
1.3 |
0.315 |
1 |
0 |
0 |
0.000 |
| 14 |
25 |
|
[EDO]A:203 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
8345 |
34.7 |
0.9 |
0.729 |
0 |
0 |
0 |
0.000 |
| 15 |
26 |
|
[EDO]A:203 |
1 |
1 |
185 |
f |
A |
-x,y,-z-1/2 |
3_554 |
2 |
1 |
8643 |
14.7 |
-0.1 |
0.548 |
0 |
0 |
0 |
0.000 |
| 16 |
27 |
|
[EDO]A:202 |
2 |
1 |
184 |
f |
[COD]A:201 |
x,y,z |
1_555 |
2 |
1 |
900 |
7.6 |
0.2 |
0.828 |
0 |
0 |
0 |
0.000 |
| 17 |
28 |
|
C |
1 |
1 |
8558 |
◊ |
B |
-x+1/2,y-1/2,-z-1/2 |
7_544 |
1 |
1 |
8345 |
7.2 |
0.4 |
0.882 |
0 |
0 |
0 |
0.000 |
|