| ## |
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 |
61 |
18 |
8450 |
◊ |
D |
x,y,z-1 |
1_554 |
56 |
19 |
8300 |
477.5 |
-6.5 |
0.243 |
7 |
1 |
0 |
0.044 |
| 2 |
2 |
|
D |
50 |
15 |
8300 |
◊ |
C |
x-1,y,z |
1_455 |
49 |
15 |
8995 |
470.9 |
-7.7 |
0.131 |
1 |
0 |
0 |
0.056 |
3 |
|
B |
35 |
12 |
8450 |
◊ |
A |
x,y-1,z |
1_545 |
47 |
14 |
8686 |
364.4 |
-3.1 |
0.294 |
1 |
0 |
0 |
0.056 |
| Average: |
417.7 |
-5.4 |
0.212 |
1 |
0 |
0 |
0.056 |
| 3 |
4 |
|
[068]C:1272 |
23 |
1 |
543 |
f |
C |
x,y,z |
1_555 |
63 |
24 |
8995 |
389.3 |
4.6 |
0.424 |
5 |
0 |
0 |
0.000 |
5 |
|
[068]A:1271 |
23 |
1 |
543 |
f |
A |
x,y,z |
1_555 |
64 |
24 |
8686 |
388.5 |
3.7 |
0.364 |
4 |
0 |
0 |
0.000 |
| Average: |
388.9 |
4.1 |
0.394 |
5 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
50 |
17 |
8450 |
◊ |
C |
x-1,y,z-1 |
1_454 |
39 |
12 |
8995 |
387.8 |
-0.6 |
0.669 |
7 |
0 |
0 |
0.023 |
7 |
|
D |
44 |
15 |
8300 |
◊ |
A |
x,y-1,z+1 |
1_546 |
36 |
11 |
8686 |
365.6 |
-1.4 |
0.583 |
7 |
0 |
0 |
0.023 |
| Average: |
376.7 |
-1.0 |
0.626 |
7 |
0 |
0 |
0.023 |
| 5 |
8 |
|
B |
37 |
8 |
8450 |
◊ |
D |
x-1,y,z-1 |
1_454 |
44 |
12 |
8300 |
361.3 |
-1.9 |
0.482 |
7 |
2 |
0 |
0.000 |
| 6 |
9 |
|
[023]B:1267 |
26 |
1 |
653 |
f |
B |
x,y,z |
1_555 |
61 |
18 |
8450 |
354.4 |
-0.8 |
0.385 |
6 |
0 |
0 |
0.032 |
10 |
|
[023]D:1266 |
26 |
1 |
654 |
f |
D |
x,y,z |
1_555 |
60 |
19 |
8300 |
354.0 |
-0.9 |
0.403 |
6 |
0 |
0 |
0.032 |
| Average: |
354.2 |
-0.9 |
0.394 |
6 |
0 |
0 |
0.032 |
| 7 |
11 |
|
B |
35 |
13 |
8450 |
◊ |
C |
x-1,y-1,z |
1_445 |
41 |
14 |
8995 |
332.9 |
-4.4 |
0.282 |
6 |
1 |
0 |
0.000 |
| 8 |
12 |
|
D |
34 |
9 |
8300 |
◊ |
C |
x,y-1,z |
1_545 |
31 |
9 |
8995 |
269.2 |
-2.8 |
0.410 |
2 |
3 |
0 |
0.000 |
13 |
|
B |
27 |
7 |
8450 |
◊ |
A |
x-1,y,z |
1_455 |
32 |
9 |
8686 |
260.1 |
-2.1 |
0.439 |
1 |
0 |
0 |
0.000 |
| Average: |
264.6 |
-2.4 |
0.424 |
2 |
2 |
0 |
0.000 |
| 9 |
14 |
|
B |
26 |
7 |
8450 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
8686 |
186.3 |
0.4 |
0.704 |
3 |
0 |
0 |
0.000 |
| 10 |
15 |
|
D |
20 |
6 |
8300 |
◊ |
A |
x,y,z |
1_555 |
24 |
11 |
8686 |
174.0 |
1.2 |
0.793 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
D |
19 |
7 |
8300 |
f |
[SO4]C:1274 |
x-1,y,z |
1_455 |
5 |
1 |
184 |
96.7 |
-15.4 |
0.642 |
6 |
0 |
0 |
0.123 |
| 12 |
17 |
|
[SO4]B:1273 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
8450 |
96.5 |
-15.5 |
0.635 |
6 |
0 |
0 |
0.082 |
| 13 |
18 |
|
[SO4]A:1272 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
8686 |
94.5 |
-14.6 |
0.638 |
5 |
0 |
0 |
0.046 |
| 14 |
19 |
|
[023]D:1266 |
5 |
1 |
654 |
◊ |
C |
x-1,y,z |
1_455 |
15 |
4 |
8995 |
90.3 |
0.1 |
0.536 |
0 |
0 |
0 |
0.000 |
20 |
|
[023]B:1267 |
5 |
1 |
653 |
◊ |
A |
x,y-1,z |
1_545 |
16 |
4 |
8686 |
89.8 |
0.0 |
0.528 |
0 |
0 |
0 |
0.000 |
| Average: |
90.1 |
0.1 |
0.532 |
0 |
0 |
0 |
0.000 |
| 15 |
21 |
|
[GOL]C:1273 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
8995 |
83.8 |
-0.3 |
0.513 |
1 |
0 |
0 |
0.005 |
| 16 |
22 |
|
[SO4]B:1274 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
8450 |
73.9 |
-9.7 |
0.939 |
5 |
0 |
0 |
0.053 |
| 17 |
23 |
|
[SO4]D:1273 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
8300 |
72.4 |
-9.5 |
0.943 |
4 |
0 |
0 |
0.076 |
| 18 |
24 |
|
[SO4]A:1273 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
8686 |
71.8 |
-8.7 |
0.948 |
5 |
0 |
0 |
0.030 |
| 19 |
25 |
|
[SO4]D:1274 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
8300 |
69.5 |
-8.9 |
0.923 |
4 |
0 |
0 |
0.073 |
| 20 |
26 |
|
[SO4]A:1274 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
8686 |
66.7 |
-9.0 |
0.873 |
3 |
0 |
0 |
0.028 |
| 21 |
27 |
|
B |
17 |
7 |
8450 |
◊ |
[GOL]D:1272 |
x,y,z-1 |
1_554 |
5 |
1 |
220 |
66.6 |
-0.9 |
0.421 |
1 |
0 |
0 |
0.012 |
28 |
|
[GOL]D:1271 |
5 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
8300 |
64.4 |
-0.9 |
0.400 |
1 |
0 |
0 |
0.012 |
| Average: |
65.5 |
-0.9 |
0.411 |
1 |
0 |
0 |
0.012 |
| 22 |
29 |
|
[GOL]D:1272 |
5 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
8300 |
66.2 |
0.2 |
0.667 |
6 |
0 |
0 |
0.023 |
30 |
|
B |
12 |
5 |
8450 |
f |
[GOL]D:1271 |
x,y,z-1 |
1_554 |
5 |
1 |
218 |
65.6 |
0.1 |
0.614 |
6 |
0 |
0 |
0.023 |
| Average: |
65.9 |
0.1 |
0.641 |
6 |
0 |
0 |
0.023 |
| 23 |
31 |
|
[SO4]B:1275 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
8450 |
65.8 |
-8.7 |
0.884 |
4 |
0 |
0 |
0.047 |
| 24 |
32 |
|
B |
9 |
4 |
8450 |
◊ |
[023]D:1266 |
x,y,z-1 |
1_554 |
6 |
1 |
654 |
64.6 |
-0.8 |
0.332 |
0 |
0 |
0 |
0.007 |
33 |
|
[023]B:1267 |
6 |
1 |
653 |
◊ |
D |
x,y,z-1 |
1_554 |
10 |
4 |
8300 |
63.7 |
-0.9 |
0.342 |
0 |
0 |
0 |
0.007 |
| Average: |
64.1 |
-0.8 |
0.337 |
0 |
0 |
0 |
0.007 |
| 25 |
34 |
|
B |
8 |
2 |
8450 |
◊ |
[GOL]C:1273 |
x-1,y,z-1 |
1_454 |
5 |
1 |
219 |
56.4 |
0.7 |
0.657 |
2 |
0 |
0 |
0.000 |
| 26 |
35 |
|
[CA]B:1271 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
8450 |
44.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.055 |
| 27 |
36 |
|
[CA]D:1270 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
8300 |
44.0 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.104 |
37 |
|
[CA]B:1272 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
8450 |
43.8 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.104 |
| Average: |
43.9 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.104 |
| 28 |
38 |
|
D |
2 |
1 |
8300 |
◊ |
[SO4]D:1274 |
x-1,y,z |
1_455 |
3 |
1 |
185 |
42.8 |
-4.1 |
0.979 |
2 |
0 |
0 |
0.000 |
| 29 |
39 |
|
[SO4]A:1274 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
8300 |
40.6 |
-5.3 |
0.515 |
0 |
0 |
0 |
0.000 |
| 30 |
40 |
|
A |
5 |
3 |
8686 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
4 |
8995 |
39.1 |
-0.8 |
0.350 |
0 |
0 |
0 |
0.000 |
| 31 |
41 |
|
[ZN]C:1269 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
8995 |
38.1 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.333 |
42 |
|
[ZN]A:1268 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
8686 |
37.8 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.333 |
43 |
|
[ZN]B:1268 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
8450 |
36.5 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.333 |
44 |
|
[ZN]D:1267 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
8300 |
36.0 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.333 |
| Average: |
37.1 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.333 |
| 32 |
45 |
|
[SO4]C:1274 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8995 |
35.9 |
-3.3 |
0.943 |
1 |
0 |
0 |
0.026 |
| 33 |
46 |
|
[SO4]B:1273 |
4 |
1 |
184 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
1 |
8686 |
35.2 |
-3.3 |
0.942 |
1 |
0 |
0 |
0.010 |
| 34 |
47 |
|
[068]C:1272 |
5 |
1 |
543 |
f |
[ZN]C:1269 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.9 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.091 |
48 |
|
[068]A:1271 |
5 |
1 |
543 |
f |
[ZN]A:1268 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.091 |
| Average: |
31.8 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.091 |
| 35 |
49 |
|
[023]D:1266 |
4 |
1 |
654 |
f |
[ZN]D:1267 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.2 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.140 |
50 |
|
[023]B:1267 |
3 |
1 |
653 |
f |
[ZN]B:1268 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.1 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.140 |
| Average: |
31.1 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.140 |
| 36 |
51 |
|
[GOL]D:1272 |
5 |
1 |
220 |
◊ |
[GOL]D:1271 |
x,y,z |
1_555 |
4 |
1 |
218 |
28.3 |
-0.6 |
0.436 |
0 |
0 |
0 |
0.002 |
| 37 |
52 |
|
[023]B:1267 |
1 |
1 |
653 |
◊ |
[GOL]D:1272 |
x,y,z-1 |
1_554 |
4 |
1 |
220 |
27.9 |
-0.7 |
0.269 |
0 |
0 |
0 |
0.006 |
53 |
|
[GOL]D:1271 |
4 |
1 |
218 |
◊ |
[023]D:1266 |
x,y,z |
1_555 |
1 |
1 |
654 |
27.3 |
-0.7 |
0.298 |
0 |
0 |
0 |
0.006 |
| Average: |
27.6 |
-0.7 |
0.283 |
0 |
0 |
0 |
0.006 |
| 38 |
54 |
|
B |
4 |
2 |
8450 |
x |
B |
x-1,y,z |
1_455 |
7 |
2 |
8450 |
25.0 |
-0.4 |
0.517 |
0 |
0 |
0 |
0.000 |
| 39 |
55 |
|
A |
6 |
3 |
8686 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
8995 |
23.4 |
0.1 |
0.711 |
0 |
0 |
0 |
0.000 |
| 40 |
56 |
|
D |
1 |
1 |
8300 |
x |
D |
x-1,y,z |
1_455 |
2 |
1 |
8300 |
22.5 |
0.5 |
0.872 |
1 |
0 |
0 |
0.000 |
| 41 |
57 |
|
[SO4]A:1272 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
8300 |
21.5 |
-2.4 |
0.763 |
0 |
0 |
0 |
0.000 |
| 42 |
58 |
|
A |
2 |
1 |
8686 |
◊ |
C |
x-1,y,z-1 |
1_454 |
2 |
1 |
8995 |
10.2 |
0.0 |
0.617 |
0 |
0 |
0 |
0.000 |
| 43 |
59 |
|
B |
2 |
1 |
8450 |
◊ |
[CA]D:1270 |
x-1,y,z-1 |
1_454 |
1 |
1 |
85 |
6.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 44 |
60 |
|
[ZN]D:1268 |
1 |
1 |
98 |
f |
C |
x-1,y,z |
1_455 |
2 |
1 |
8995 |
2.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.007 |
| 45 |
61 |
|
[SO4]B:1274 |
1 |
1 |
186 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
8686 |
1.9 |
-0.2 |
0.847 |
0 |
0 |
0 |
0.000 |
|