| ## |
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 |
177 |
49 |
7800 |
◊ |
A |
x,y,z |
1_555 |
171 |
46 |
7694 |
1481.5 |
-12.9 |
0.260 |
26 |
12 |
0 |
0.328 |
| 2 |
2 |
|
[4CO]A:370 |
40 |
1 |
1060 |
◊ |
A |
x,y,z |
1_555 |
54 |
19 |
7694 |
437.9 |
0.7 |
0.820 |
5 |
0 |
0 |
0.029 |
3 |
|
[4CO]B:371 |
40 |
1 |
1053 |
◊ |
B |
x,y,z |
1_555 |
50 |
17 |
7800 |
429.9 |
1.0 |
0.827 |
5 |
0 |
0 |
0.029 |
| Average: |
433.9 |
0.9 |
0.824 |
5 |
0 |
0 |
0.029 |
| 3 |
4 |
|
B |
50 |
12 |
7800 |
◊ |
A |
-x+2,-x+y+1,-z+2/3 |
6_765 |
50 |
12 |
7694 |
431.7 |
-5.6 |
0.244 |
1 |
0 |
0 |
0.092 |
| 4 |
5 |
|
[4CO]B:371 |
33 |
1 |
1053 |
◊ |
A |
x,y,z |
1_555 |
48 |
14 |
7694 |
342.3 |
-1.7 |
0.714 |
7 |
0 |
0 |
0.145 |
6 |
|
[4CO]A:370 |
33 |
1 |
1060 |
◊ |
B |
x,y,z |
1_555 |
46 |
14 |
7800 |
340.4 |
-1.6 |
0.697 |
7 |
0 |
0 |
0.145 |
| Average: |
341.4 |
-1.6 |
0.706 |
7 |
0 |
0 |
0.145 |
| 5 |
7 |
|
A |
25 |
8 |
7694 |
◊ |
B |
-y+1,x-y,z-1/3 |
2_654 |
27 |
10 |
7800 |
229.1 |
2.4 |
0.852 |
4 |
9 |
0 |
0.000 |
| 6 |
8 |
|
A |
22 |
7 |
7694 |
◊ |
A |
-x+2,-x+y+1,-z+2/3 |
6_765 |
23 |
7 |
7694 |
185.5 |
-0.0 |
0.648 |
4 |
0 |
0 |
0.017 |
9 |
|
B |
22 |
7 |
7800 |
◊ |
B |
-x+2,-x+y+1,-z+2/3 |
6_765 |
22 |
7 |
7800 |
179.4 |
0.4 |
0.681 |
4 |
0 |
0 |
0.017 |
| Average: |
182.4 |
0.2 |
0.665 |
4 |
0 |
0 |
0.017 |
| 7 |
10 |
|
B |
21 |
5 |
7800 |
x |
B |
-y+1,x-y,z-1/3 |
2_654 |
17 |
5 |
7800 |
163.6 |
-0.7 |
0.514 |
1 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[4CO]B:371 |
11 |
1 |
1053 |
f |
B |
-x+2,-x+y+1,-z+2/3 |
6_765 |
13 |
5 |
7800 |
118.6 |
-3.5 |
0.404 |
8 |
0 |
0 |
0.214 |
12 |
|
[4CO]A:370 |
11 |
1 |
1060 |
f |
A |
-x+2,-x+y+1,-z+2/3 |
6_765 |
13 |
5 |
7694 |
115.3 |
-3.4 |
0.415 |
8 |
0 |
0 |
0.214 |
| Average: |
116.9 |
-3.5 |
0.409 |
8 |
0 |
0 |
0.214 |
| 9 |
13 |
|
[EDO]A:371 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
16 |
9 |
7694 |
91.7 |
3.1 |
0.510 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[EDO]B:373 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
12 |
7 |
7800 |
85.9 |
2.0 |
0.212 |
1 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[EDO]B:372 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
7800 |
80.4 |
2.5 |
0.295 |
2 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[CL]B:153 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
7800 |
67.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.339 |
17 |
|
[CL]A:153 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
7694 |
59.5 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.339 |
| Average: |
63.6 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.339 |
| 13 |
18 |
|
[CL]B:152 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
7800 |
66.1 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.270 |
19 |
|
[CL]A:152 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
7694 |
65.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.270 |
| Average: |
65.9 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.270 |
| 14 |
20 |
|
[EDO]B:373 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
11 |
2 |
7694 |
50.7 |
1.2 |
0.233 |
0 |
0 |
0 |
0.000 |
| 15 |
21 |
|
[EDO]A:371 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
2 |
7800 |
45.6 |
1.1 |
0.234 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[CL]B:153 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
7694 |
11.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.018 |
23 |
|
[CL]A:153 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
7800 |
9.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.018 |
| Average: |
10.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.018 |
| 17 |
24 |
|
[EDO]B:373 |
1 |
1 |
182 |
f |
[4CO]B:371 |
x,y,z |
1_555 |
3 |
1 |
1053 |
2.7 |
0.0 |
0.750 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[EDO]A:371 |
1 |
1 |
184 |
f |
[4CO]A:370 |
x,y,z |
1_555 |
1 |
1 |
1060 |
0.7 |
0.0 |
0.745 |
0 |
0 |
0 |
0.000 |
|