## |
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 |
129 |
34 |
6770 |
◊ |
A |
x,y,z |
1_555 |
119 |
30 |
6770 |
1095.8 |
-11.3 |
0.255 |
14 |
0 |
0 |
0.752 |
2 |
|
C |
126 |
33 |
6795 |
◊ |
B |
x,y,z |
1_555 |
119 |
30 |
6770 |
1094.0 |
-11.1 |
0.269 |
13 |
0 |
0 |
0.752 |
3 |
|
C |
116 |
30 |
6795 |
◊ |
A |
x,y,z |
1_555 |
125 |
33 |
6770 |
1071.4 |
-11.5 |
0.240 |
13 |
0 |
0 |
0.752 |
Average: |
1087.1 |
-11.3 |
0.255 |
13 |
0 |
0 |
0.752 |
2 |
4 |
|
C |
50 |
15 |
6795 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
46 |
13 |
6770 |
407.4 |
-2.8 |
0.470 |
2 |
0 |
0 |
0.000 |
5 |
|
A |
49 |
17 |
6770 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
48 |
15 |
6770 |
401.0 |
-2.6 |
0.462 |
3 |
0 |
0 |
0.000 |
Average: |
404.2 |
-2.7 |
0.466 |
3 |
0 |
0 |
0.000 |
3 |
6 |
|
[LE2]C:201 |
11 |
1 |
346 |
cf |
C |
x,y,z |
1_555 |
34 |
12 |
6795 |
209.2 |
1.3 |
0.350 |
0 |
0 |
0 |
0.000 |
7 |
|
[LE2]B:201 |
11 |
1 |
343 |
cf |
B |
x,y,z |
1_555 |
31 |
10 |
6770 |
190.7 |
1.0 |
0.311 |
0 |
0 |
0 |
0.000 |
8 |
|
[LE2]A:201 |
11 |
1 |
345 |
cf |
A |
x,y,z |
1_555 |
32 |
10 |
6770 |
189.7 |
1.0 |
0.324 |
0 |
0 |
0 |
0.000 |
Average: |
196.6 |
1.1 |
0.328 |
0 |
0 |
0 |
0.000 |
4 |
9 |
|
C |
11 |
5 |
6795 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
6 |
6770 |
117.7 |
0.0 |
0.670 |
0 |
0 |
0 |
0.000 |
10 |
|
B |
11 |
4 |
6770 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
13 |
5 |
6770 |
91.9 |
-0.7 |
0.530 |
0 |
0 |
0 |
0.000 |
Average: |
104.8 |
-0.3 |
0.600 |
0 |
0 |
0 |
0.000 |
5 |
11 |
|
A |
15 |
7 |
6770 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
14 |
7 |
6795 |
106.5 |
-0.5 |
0.555 |
0 |
0 |
0 |
0.000 |
6 |
12 |
|
B |
11 |
4 |
6770 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
16 |
5 |
6795 |
96.5 |
-0.0 |
0.666 |
0 |
0 |
0 |
0.000 |
7 |
13 |
|
[IPA]A:203 |
4 |
1 |
200 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
6770 |
85.2 |
2.6 |
0.277 |
2 |
0 |
0 |
0.000 |
8 |
14 |
|
[IPA]B:204 |
4 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
6770 |
83.6 |
2.6 |
0.267 |
3 |
0 |
0 |
0.000 |
15 |
|
[IPA]C:204 |
4 |
1 |
199 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
6795 |
83.5 |
2.5 |
0.272 |
3 |
0 |
0 |
0.000 |
Average: |
83.6 |
2.5 |
0.269 |
3 |
0 |
0 |
0.000 |
9 |
16 |
|
[IPA]B:203 |
4 |
1 |
200 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
6770 |
80.2 |
2.3 |
0.236 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
[LE2]C:201 |
6 |
1 |
346 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
6770 |
72.1 |
2.6 |
0.570 |
0 |
0 |
0 |
0.000 |
18 |
|
[LE2]A:201 |
6 |
1 |
345 |
◊ |
C |
x,y,z |
1_555 |
11 |
2 |
6795 |
68.9 |
2.3 |
0.565 |
0 |
0 |
0 |
0.000 |
19 |
|
[LE2]B:201 |
6 |
1 |
343 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
6770 |
68.2 |
2.4 |
0.566 |
0 |
0 |
0 |
0.000 |
Average: |
69.7 |
2.4 |
0.567 |
0 |
0 |
0 |
0.000 |
11 |
20 |
|
[SO4]B:202 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
6770 |
67.7 |
-9.5 |
0.758 |
2 |
0 |
0 |
0.152 |
12 |
21 |
|
[SO4]C:203 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
6795 |
65.3 |
-8.6 |
0.736 |
2 |
0 |
0 |
0.138 |
13 |
22 |
|
[SO4]A:202 |
4 |
1 |
185 |
f |
B |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
5 |
6770 |
55.0 |
-7.0 |
0.722 |
1 |
0 |
0 |
0.108 |
14 |
23 |
|
[SO4]C:202 |
4 |
1 |
187 |
f |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
10 |
5 |
6770 |
50.7 |
-6.7 |
0.705 |
1 |
0 |
0 |
0.190 |
15 |
24 |
|
[SO4]A:202 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6770 |
47.0 |
-4.5 |
0.974 |
2 |
0 |
0 |
0.000 |
16 |
25 |
|
A |
10 |
3 |
6770 |
◊ |
[IPA]B:203 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
200 |
45.9 |
1.2 |
0.170 |
0 |
0 |
0 |
0.000 |
17 |
26 |
|
[SO4]C:202 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
6795 |
45.7 |
-4.2 |
0.975 |
1 |
0 |
0 |
0.000 |
18 |
27 |
|
[IPA]B:203 |
2 |
1 |
200 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
6770 |
36.0 |
0.6 |
0.527 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
C |
3 |
1 |
6795 |
◊ |
[LE2]A:201 |
x-1/2,-y-1/2,-z+1 |
4_446 |
3 |
1 |
345 |
27.9 |
-0.1 |
0.443 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
3 |
1 |
6770 |
◊ |
[LE2]B:201 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
343 |
25.1 |
-0.2 |
0.450 |
1 |
0 |
0 |
0.000 |
Average: |
26.5 |
-0.2 |
0.446 |
1 |
0 |
0 |
0.000 |
20 |
30 |
|
C |
5 |
2 |
6795 |
◊ |
[IPA]B:203 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
200 |
24.4 |
0.9 |
0.587 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
A |
1 |
1 |
6770 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
6770 |
1.2 |
-0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
32 |
|
C |
1 |
1 |
6795 |
x |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
1 |
1 |
6795 |
0.6 |
0.0 |
0.627 |
0 |
0 |
0 |
0.000 |
Average: |
0.9 |
-0.0 |
0.615 |
0 |
0 |
0 |
0.000 |
|