## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
47 |
17 |
4140 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
49 |
14 |
4199 |
518.4 |
-7.7 |
0.200 |
1 |
0 |
0 |
0.104 |
2 |
|
B |
49 |
17 |
4199 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
43 |
12 |
4140 |
457.9 |
-6.3 |
0.267 |
2 |
0 |
0 |
0.090 |
3 |
|
C |
36 |
10 |
1780 |
◊ |
A |
x,y,z |
1_555 |
50 |
16 |
4140 |
446.7 |
-6.0 |
0.398 |
4 |
4 |
0 |
0.366 |
4 |
|
D |
35 |
11 |
1332 |
◊ |
B |
x,y,z |
1_555 |
50 |
15 |
4199 |
426.8 |
-5.7 |
0.464 |
3 |
4 |
0 |
0.163 |
5 |
|
B |
30 |
12 |
4199 |
◊ |
A |
x,y,z |
1_555 |
38 |
11 |
4140 |
326.1 |
-1.2 |
0.609 |
3 |
1 |
0 |
0.000 |
6 |
|
D |
29 |
8 |
1332 |
◊ |
C |
x-1,y,z |
1_455 |
23 |
7 |
1780 |
240.9 |
-2.9 |
0.703 |
3 |
0 |
0 |
0.144 |
7 |
|
C |
20 |
5 |
1780 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
25 |
6 |
4199 |
183.2 |
-0.7 |
0.626 |
3 |
0 |
0 |
0.042 |
8 |
|
D |
15 |
5 |
1332 |
◊ |
A |
x-1,y,z |
1_455 |
17 |
7 |
4140 |
148.8 |
-1.5 |
0.615 |
0 |
0 |
0 |
0.052 |
9 |
|
B |
21 |
8 |
4199 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
2 |
1780 |
141.9 |
-1.2 |
0.524 |
0 |
0 |
0 |
0.000 |
10 |
|
A |
18 |
6 |
4140 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
13 |
4 |
1780 |
121.2 |
-0.1 |
0.694 |
4 |
0 |
0 |
0.024 |
11 |
|
B |
9 |
2 |
4199 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
15 |
5 |
1780 |
106.4 |
0.5 |
0.685 |
1 |
0 |
0 |
0.000 |
12 |
|
[SO4]B:1230 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
4199 |
97.8 |
-13.8 |
0.862 |
5 |
0 |
0 |
0.340 |
13 |
|
[SO4]A:1229 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
4140 |
89.3 |
-12.4 |
0.766 |
3 |
0 |
0 |
0.604 |
14 |
|
B |
19 |
6 |
4199 |
◊ |
[ACE]C:359 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
171 |
87.7 |
-1.7 |
0.625 |
0 |
0 |
0 |
0.000 |
15 |
|
[SO4]B:1229 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
4199 |
73.0 |
-10.7 |
0.798 |
3 |
0 |
0 |
0.255 |
16 |
|
[SO4]B:1231 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
4199 |
68.3 |
-9.0 |
0.735 |
2 |
0 |
0 |
0.210 |
17 |
|
[ACE]C:359 |
3 |
1 |
171 |
cf |
C |
x,y,z |
1_555 |
8 |
2 |
1780 |
56.4 |
-0.2 |
0.819 |
1 |
0 |
0 |
0.100 |
18 |
|
[ACE]D:359 |
3 |
1 |
171 |
cf |
D |
x,y,z |
1_555 |
4 |
1 |
1332 |
52.0 |
-0.3 |
0.856 |
0 |
0 |
0 |
0.100 |
19 |
|
C |
8 |
4 |
1780 |
◊ |
[SO4]B:1229 |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
1 |
187 |
47.6 |
-5.8 |
0.830 |
0 |
0 |
0 |
0.121 |
20 |
|
B |
5 |
3 |
4199 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
4199 |
42.8 |
1.9 |
0.896 |
0 |
0 |
0 |
0.000 |
21 |
|
[ACE]D:359 |
3 |
1 |
171 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
1780 |
40.2 |
-0.8 |
0.532 |
0 |
0 |
0 |
0.029 |
22 |
|
[SO4]B:1231 |
4 |
1 |
186 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
4 |
1 |
4140 |
39.2 |
-3.9 |
0.917 |
1 |
0 |
0 |
0.000 |
23 |
|
D |
3 |
1 |
1332 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
4140 |
37.0 |
-0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
24 |
|
[ACE]D:359 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
4140 |
35.4 |
0.0 |
0.858 |
0 |
0 |
0 |
0.000 |
25 |
|
C |
5 |
2 |
1780 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
2 |
1332 |
33.4 |
-0.6 |
0.614 |
0 |
0 |
0 |
0.011 |
26 |
|
D |
4 |
3 |
1332 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
6 |
2 |
4140 |
33.2 |
-0.1 |
0.680 |
0 |
0 |
0 |
0.000 |
27 |
|
B |
3 |
2 |
4199 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
2 |
1 |
4140 |
32.4 |
1.3 |
0.727 |
0 |
0 |
0 |
0.000 |
28 |
|
B |
3 |
2 |
4199 |
◊ |
[ACE]D:359 |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
171 |
20.5 |
-0.6 |
0.556 |
0 |
0 |
0 |
0.000 |
29 |
|
B |
4 |
3 |
4199 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
4 |
4140 |
14.6 |
0.4 |
0.727 |
0 |
0 |
0 |
0.000 |
30 |
|
[SO4]B:1231 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
4140 |
14.6 |
-1.1 |
0.956 |
0 |
0 |
0 |
0.000 |
31 |
|
[SO4]B:1231 |
1 |
1 |
186 |
f |
[SO4]B:1230 |
x,y,z |
1_555 |
2 |
1 |
185 |
5.4 |
-1.3 |
0.876 |
0 |
0 |
0 |
0.027 |
32 |
|
[SO4]B:1230 |
1 |
1 |
185 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
1780 |
3.8 |
-0.5 |
0.715 |
0 |
0 |
0 |
0.000 |
33 |
|
[SO4]B:1230 |
3 |
1 |
185 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
4140 |
2.5 |
-0.2 |
0.896 |
0 |
0 |
0 |
0.000 |
34 |
|
[SO4]B:1230 |
1 |
1 |
185 |
◊ |
[ACE]D:359 |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
1 |
171 |
2.4 |
-0.3 |
0.943 |
0 |
0 |
0 |
0.000 |
35 |
|
[SO4]A:1229 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
4199 |
1.0 |
-0.1 |
0.732 |
0 |
0 |
0 |
0.000 |
36 |
|
A |
1 |
1 |
4140 |
x |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
4140 |
1.0 |
-0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
37 |
|
A |
1 |
1 |
4140 |
◊ |
[SO4]B:1230 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
185 |
0.8 |
-0.1 |
0.771 |
0 |
0 |
0 |
0.001 |
|