| ## |
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 |
|
B |
264 |
65 |
15833 |
◊ |
A |
x,y,z |
1_555 |
267 |
65 |
15877 |
2467.2 |
-44.7 |
0.003 |
20 |
0 |
0 |
0.895 |
2 |
|
D |
255 |
64 |
15802 |
◊ |
C |
x,y,z |
1_555 |
253 |
65 |
15712 |
2460.6 |
-43.7 |
0.003 |
19 |
0 |
0 |
0.895 |
| Average: |
2463.9 |
-44.2 |
0.003 |
20 |
0 |
0 |
0.895 |
| 2 |
3 |
|
A |
74 |
21 |
15877 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
77 |
20 |
15802 |
709.3 |
3.8 |
0.961 |
9 |
7 |
0 |
0.000 |
| 3 |
4 |
|
B |
55 |
20 |
15833 |
◊ |
C |
x-1,y,z |
1_455 |
51 |
16 |
15712 |
406.9 |
-1.8 |
0.637 |
3 |
1 |
0 |
0.000 |
5 |
|
C |
51 |
20 |
15712 |
◊ |
B |
x,y,z |
1_555 |
47 |
16 |
15833 |
401.9 |
-0.6 |
0.747 |
3 |
1 |
0 |
0.000 |
| Average: |
404.4 |
-1.2 |
0.692 |
3 |
1 |
0 |
0.000 |
| 4 |
6 |
|
A |
49 |
14 |
15877 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
45 |
14 |
15802 |
397.5 |
-0.7 |
0.748 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
C |
31 |
9 |
15712 |
◊ |
B |
x,y,z-1 |
1_554 |
28 |
9 |
15833 |
319.1 |
7.7 |
0.996 |
12 |
8 |
0 |
0.000 |
| 6 |
8 |
|
D |
28 |
10 |
15802 |
◊ |
C |
x-1,y,z-1 |
1_454 |
28 |
10 |
15712 |
280.0 |
-3.2 |
0.209 |
1 |
1 |
0 |
0.000 |
9 |
|
B |
27 |
10 |
15833 |
◊ |
A |
x,y,z-1 |
1_554 |
23 |
10 |
15877 |
230.7 |
-4.1 |
0.124 |
0 |
1 |
0 |
0.000 |
| Average: |
255.4 |
-3.6 |
0.167 |
1 |
1 |
0 |
0.000 |
| 7 |
10 |
|
B |
27 |
8 |
15833 |
◊ |
C |
x-1,y,z-1 |
1_454 |
29 |
8 |
15712 |
229.7 |
-0.9 |
0.648 |
3 |
0 |
0 |
0.000 |
| 8 |
11 |
|
B |
18 |
7 |
15833 |
x |
B |
x,y,z-1 |
1_554 |
12 |
3 |
15833 |
155.4 |
2.1 |
0.853 |
3 |
0 |
0 |
0.000 |
12 |
|
C |
12 |
3 |
15712 |
x |
C |
x-1,y,z-1 |
1_454 |
19 |
8 |
15712 |
146.4 |
2.3 |
0.874 |
4 |
0 |
0 |
0.000 |
| Average: |
150.9 |
2.2 |
0.863 |
4 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[EDO]C:402 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
20 |
8 |
15712 |
111.0 |
2.6 |
0.452 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[EDO]B:402 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
15833 |
110.6 |
2.8 |
0.459 |
0 |
0 |
0 |
0.000 |
15 |
|
[EDO]A:401 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
15877 |
110.2 |
2.8 |
0.454 |
0 |
0 |
0 |
0.000 |
| Average: |
110.4 |
2.8 |
0.456 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[EDO]D:401 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
20 |
8 |
15802 |
110.1 |
2.5 |
0.452 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[CL]B:403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
15833 |
55.7 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.130 |
18 |
|
[CL]C:403 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
15712 |
55.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.130 |
| Average: |
55.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.130 |
| 13 |
19 |
|
[EDO]D:401 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
15712 |
46.1 |
1.1 |
0.701 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[MG]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
15712 |
45.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.093 |
21 |
|
[MG]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
15833 |
43.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.093 |
| Average: |
44.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.093 |
| 15 |
22 |
|
[EDO]C:402 |
3 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
15802 |
44.9 |
1.0 |
0.695 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[EDO]B:402 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
15877 |
43.9 |
1.1 |
0.235 |
0 |
0 |
0 |
0.000 |
24 |
|
[EDO]A:401 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
15833 |
41.2 |
1.1 |
0.693 |
0 |
0 |
0 |
0.000 |
| Average: |
42.5 |
1.1 |
0.464 |
0 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[CL]B:403 |
1 |
1 |
125 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
3 |
15712 |
41.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
|
[CL]C:403 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
15833 |
40.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
41.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 18 |
27 |
|
D |
5 |
4 |
15802 |
x |
D |
x,y,z-1 |
1_554 |
5 |
3 |
15802 |
29.0 |
-0.3 |
0.526 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
3 |
2 |
15877 |
x |
A |
x-1,y,z-1 |
1_454 |
2 |
2 |
15877 |
7.3 |
0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
| Average: |
18.1 |
-0.1 |
0.576 |
0 |
0 |
0 |
0.000 |
| 19 |
29 |
|
[MG]C:401 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15833 |
10.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[MG]B:401 |
1 |
1 |
98 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
15712 |
9.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
9.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
31 |
|
[CL]C:403 |
1 |
1 |
125 |
f |
[MG]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.026 |
| 21 |
32 |
|
[CL]B:403 |
1 |
1 |
125 |
f |
[MG]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.021 |
| 22 |
33 |
|
A |
1 |
1 |
15877 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
15833 |
2.9 |
-0.0 |
0.546 |
0 |
0 |
0 |
0.000 |
| 23 |
34 |
|
B |
1 |
1 |
15833 |
x |
B |
x-1,y,z-1 |
1_454 |
1 |
1 |
15833 |
0.5 |
0.0 |
0.696 |
0 |
0 |
0 |
0.000 |
|