## |
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 |
|
B |
535 |
128 |
21312 |
◊ |
A |
x,y,z |
1_555 |
548 |
135 |
21412 |
5285.2 |
-77.8 |
0.010 |
45 |
7 |
0 |
0.340 |
2 |
|
B |
89 |
28 |
21312 |
◊ |
B |
-x+2,-y,z |
2_755 |
89 |
28 |
21312 |
739.8 |
-4.8 |
0.666 |
0 |
0 |
0 |
0.008 |
3 |
|
B |
49 |
18 |
21312 |
◊ |
A |
x,y,z-1 |
1_554 |
43 |
14 |
21412 |
413.8 |
1.9 |
0.888 |
5 |
1 |
0 |
0.000 |
4 |
|
B |
43 |
10 |
21312 |
x |
B |
-x+3/2,y-1/2,-z+2 |
3_647 |
35 |
8 |
21312 |
326.8 |
-0.9 |
0.742 |
2 |
0 |
0 |
0.000 |
5 |
|
A |
31 |
12 |
21412 |
◊ |
A |
-x+2,-y,z |
2_755 |
31 |
12 |
21412 |
319.8 |
-6.3 |
0.095 |
0 |
0 |
0 |
0.010 |
6 |
|
A |
35 |
8 |
21412 |
x |
A |
-x+3/2,y-1/2,-z+2 |
3_647 |
41 |
13 |
21412 |
311.3 |
-2.3 |
0.577 |
0 |
0 |
0 |
0.000 |
7 |
|
B |
30 |
11 |
21312 |
◊ |
A |
-x+2,-y,z |
2_755 |
27 |
8 |
21412 |
275.8 |
-4.4 |
0.236 |
4 |
0 |
0 |
0.021 |
8 |
|
[1PE]B:512 |
16 |
1 |
477 |
f |
B |
x,y,z |
1_555 |
27 |
10 |
21312 |
215.1 |
-0.5 |
0.669 |
5 |
0 |
0 |
0.010 |
9 |
|
[1PE]A:510 |
15 |
1 |
439 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
21412 |
188.7 |
-0.6 |
0.646 |
4 |
0 |
0 |
0.008 |
10 |
|
[PEG]B:514 |
7 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
28 |
13 |
21312 |
179.2 |
2.9 |
0.381 |
1 |
0 |
0 |
0.000 |
11 |
|
[PGE]B:511 |
10 |
1 |
336 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
21312 |
173.3 |
5.0 |
0.331 |
3 |
0 |
0 |
0.000 |
12 |
|
[PGE]A:507 |
10 |
1 |
334 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
21312 |
166.7 |
2.6 |
0.192 |
0 |
0 |
0 |
0.000 |
13 |
|
[1PE]A:509 |
12 |
1 |
407 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
21412 |
162.2 |
-0.2 |
0.698 |
4 |
0 |
0 |
0.007 |
14 |
|
[PEG]A:511 |
7 |
1 |
254 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
21412 |
154.6 |
4.0 |
0.503 |
1 |
0 |
0 |
0.000 |
15 |
|
[PGE]B:510 |
9 |
1 |
331 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
21312 |
132.8 |
2.0 |
0.190 |
3 |
0 |
0 |
0.000 |
16 |
|
[PGE]B:510 |
9 |
1 |
331 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
21412 |
124.3 |
3.8 |
0.324 |
0 |
0 |
0 |
0.000 |
17 |
|
[PGE]A:507 |
9 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
21412 |
121.7 |
2.3 |
0.194 |
1 |
0 |
0 |
0.000 |
18 |
|
[PEG]B:513 |
7 |
1 |
262 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
21312 |
121.4 |
3.9 |
0.465 |
0 |
0 |
0 |
0.000 |
19 |
|
[PGE]A:508 |
10 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
21412 |
113.3 |
3.8 |
0.253 |
0 |
0 |
0 |
0.000 |
20 |
|
B |
12 |
6 |
21312 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
3_647 |
12 |
6 |
21412 |
107.1 |
3.3 |
0.968 |
6 |
4 |
0 |
0.000 |
21 |
|
[SO4]A:504 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
21412 |
102.5 |
-14.7 |
0.824 |
2 |
0 |
0 |
0.054 |
22 |
|
[SO4]A:506 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
21412 |
102.2 |
-14.8 |
0.811 |
4 |
0 |
0 |
0.057 |
23 |
|
[SO4]B:502 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
21312 |
101.8 |
-15.6 |
0.808 |
3 |
0 |
0 |
0.058 |
24 |
|
[SO4]B:503 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
21312 |
94.5 |
-14.3 |
0.764 |
3 |
0 |
0 |
0.054 |
25 |
|
[PGE]A:508 |
9 |
1 |
334 |
◊ |
B |
-x+2,-y,z |
2_755 |
11 |
2 |
21312 |
90.7 |
2.8 |
0.194 |
2 |
0 |
0 |
0.000 |
26 |
|
[SO4]A:505 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
21412 |
90.5 |
-13.4 |
0.735 |
1 |
0 |
0 |
0.048 |
27 |
|
[SO4]B:505 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
21312 |
81.6 |
-11.7 |
0.712 |
3 |
0 |
0 |
0.045 |
28 |
|
[SO4]B:509 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
21312 |
80.6 |
-10.5 |
0.888 |
1 |
0 |
0 |
0.038 |
29 |
|
[SO4]B:506 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
21312 |
80.1 |
-11.5 |
0.799 |
3 |
0 |
0 |
0.044 |
30 |
|
[SO4]B:507 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
21312 |
76.5 |
-11.1 |
0.819 |
3 |
0 |
0 |
0.043 |
31 |
|
[SO4]B:508 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
21312 |
75.0 |
-9.8 |
0.902 |
3 |
0 |
0 |
0.038 |
32 |
|
[SO4]B:504 |
5 |
1 |
186 |
f |
B |
-x+2,-y,z |
2_755 |
9 |
5 |
21312 |
74.5 |
-10.1 |
0.774 |
2 |
0 |
0 |
0.038 |
33 |
|
[SO4]A:503 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
21412 |
72.1 |
-10.3 |
0.810 |
3 |
0 |
0 |
0.040 |
34 |
|
[CL]A:501 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
21412 |
72.0 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.037 |
35 |
|
[CL]B:501 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
21312 |
61.8 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.028 |
36 |
|
[SO4]B:505 |
5 |
1 |
185 |
◊ |
A |
x,y,z-1 |
1_554 |
4 |
3 |
21412 |
57.0 |
-5.6 |
0.965 |
2 |
0 |
0 |
0.003 |
37 |
|
[CL]A:502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
21412 |
56.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.026 |
38 |
|
[SO4]B:509 |
4 |
1 |
184 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
3 |
21412 |
48.9 |
-6.1 |
0.737 |
1 |
0 |
0 |
0.003 |
39 |
|
A |
6 |
3 |
21412 |
◊ |
[1PE]A:510 |
-x+3/2,y-1/2,-z+2 |
3_647 |
5 |
1 |
439 |
44.8 |
0.3 |
0.560 |
0 |
0 |
0 |
0.000 |
40 |
|
[SO4]B:503 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
21412 |
39.2 |
-3.7 |
0.980 |
3 |
0 |
0 |
0.017 |
41 |
|
[SO4]A:504 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
21312 |
38.6 |
-3.3 |
0.982 |
1 |
0 |
0 |
0.013 |
42 |
|
[SO4]B:504 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
21312 |
36.9 |
-3.8 |
0.942 |
1 |
0 |
0 |
0.014 |
43 |
|
[PGE]B:511 |
3 |
1 |
336 |
f |
B |
-x+3/2,y-1/2,-z+2 |
3_647 |
5 |
2 |
21312 |
35.7 |
0.7 |
0.276 |
0 |
0 |
0 |
0.000 |
44 |
|
[PGE]A:508 |
4 |
1 |
334 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
21312 |
30.5 |
1.4 |
0.319 |
0 |
0 |
0 |
0.000 |
45 |
|
[SO4]A:505 |
3 |
1 |
186 |
f |
[CL]A:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.013 |
46 |
|
[PGE]A:508 |
4 |
1 |
334 |
f |
A |
-x+2,-y,z |
2_755 |
1 |
1 |
21412 |
11.8 |
0.4 |
0.247 |
0 |
0 |
0 |
0.000 |
47 |
|
B |
2 |
1 |
21312 |
f |
[PEG]B:513 |
-x+3/2,y-1/2,-z+2 |
3_647 |
2 |
1 |
262 |
9.2 |
-0.3 |
0.203 |
0 |
0 |
0 |
0.001 |
48 |
|
[PGE]A:507 |
1 |
1 |
334 |
f |
[SO4]B:503 |
x,y,z |
1_555 |
1 |
1 |
185 |
8.3 |
-0.7 |
0.490 |
0 |
0 |
0 |
0.003 |
49 |
|
[SO4]B:502 |
1 |
1 |
185 |
◊ |
[SO4]A:506 |
x,y,z |
1_555 |
1 |
1 |
188 |
2.9 |
-0.7 |
1.000 |
0 |
0 |
0 |
0.002 |
50 |
|
[SO4]A:506 |
1 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
21312 |
1.3 |
-0.2 |
0.715 |
0 |
0 |
0 |
0.000 |
|