| ## |
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 |
|
C |
146 |
30 |
13041 |
◊ |
A |
x,y,z |
1_555 |
152 |
34 |
13347 |
1455.9 |
-31.4 |
0.002 |
5 |
0 |
0 |
0.245 |
2 |
|
D |
132 |
29 |
12905 |
◊ |
B |
x,y,z |
1_555 |
135 |
31 |
12765 |
1271.1 |
-21.2 |
0.036 |
6 |
0 |
0 |
0.245 |
| Average: |
1363.5 |
-26.3 |
0.019 |
6 |
0 |
0 |
0.245 |
| 2 |
3 |
|
B |
93 |
26 |
12765 |
◊ |
A |
x,y,z |
1_555 |
75 |
16 |
13347 |
752.3 |
-5.6 |
0.349 |
12 |
1 |
0 |
0.036 |
| 3 |
4 |
|
C |
63 |
22 |
13041 |
◊ |
A |
x,y,z-1 |
1_554 |
73 |
24 |
13347 |
722.6 |
-0.0 |
0.725 |
5 |
3 |
0 |
0.023 |
5 |
|
D |
65 |
24 |
12905 |
◊ |
B |
x,y,z-1 |
1_554 |
74 |
23 |
12765 |
701.6 |
-1.3 |
0.664 |
3 |
3 |
0 |
0.023 |
| Average: |
712.1 |
-0.7 |
0.695 |
4 |
3 |
0 |
0.023 |
| 4 |
6 |
|
C |
66 |
16 |
13041 |
◊ |
D |
x,y-1,z+1 |
1_546 |
79 |
21 |
12905 |
645.9 |
-3.7 |
0.584 |
5 |
1 |
0 |
0.019 |
| 5 |
7 |
|
C |
48 |
12 |
13041 |
◊ |
D |
x-1,y,z |
1_455 |
34 |
8 |
12905 |
401.7 |
-3.8 |
0.194 |
4 |
0 |
0 |
0.000 |
| 6 |
8 |
|
C |
45 |
14 |
13041 |
◊ |
B |
x,y,z |
1_555 |
37 |
8 |
12765 |
351.0 |
-1.4 |
0.431 |
4 |
4 |
0 |
0.012 |
| 7 |
9 |
|
A |
43 |
11 |
13347 |
◊ |
B |
x-1,y-1,z+1 |
1_446 |
34 |
7 |
12765 |
342.8 |
-2.6 |
0.240 |
3 |
0 |
0 |
0.013 |
| 8 |
10 |
|
A |
34 |
9 |
13347 |
◊ |
D |
x-1,y-1,z+1 |
1_446 |
34 |
10 |
12905 |
327.2 |
-2.5 |
0.468 |
5 |
2 |
0 |
0.016 |
| 9 |
11 |
|
A |
32 |
11 |
13347 |
◊ |
D |
x,y-1,z+1 |
1_546 |
27 |
6 |
12905 |
284.8 |
-2.5 |
0.313 |
3 |
5 |
0 |
0.015 |
| 10 |
12 |
|
C |
28 |
8 |
13041 |
◊ |
B |
x-1,y,z |
1_455 |
45 |
11 |
12765 |
275.1 |
-0.9 |
0.650 |
6 |
3 |
0 |
0.000 |
| 11 |
13 |
|
[SUC]B:1 |
15 |
1 |
459 |
f |
B |
x,y,z |
1_555 |
29 |
12 |
12765 |
210.3 |
-0.2 |
0.315 |
1 |
0 |
0 |
0.016 |
14 |
|
[SUC]A:2 |
14 |
1 |
459 |
f |
A |
x,y,z |
1_555 |
29 |
12 |
13347 |
205.3 |
-0.6 |
0.304 |
3 |
0 |
0 |
0.016 |
| Average: |
207.8 |
-0.4 |
0.310 |
2 |
0 |
0 |
0.016 |
| 12 |
15 |
|
[SUC]A:3 |
12 |
1 |
452 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
13347 |
137.8 |
1.0 |
0.447 |
3 |
0 |
0 |
0.003 |
| 13 |
16 |
|
[SO4]C:282 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
13041 |
111.7 |
-20.5 |
0.677 |
3 |
0 |
0 |
0.185 |
| 14 |
17 |
|
[SO4]B:5 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
12765 |
101.9 |
-14.3 |
0.730 |
3 |
0 |
0 |
0.107 |
| 15 |
18 |
|
[SO4]A:282 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
13347 |
93.3 |
-13.6 |
0.666 |
3 |
0 |
0 |
0.127 |
| 16 |
19 |
|
[SO4]D:284 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
12905 |
91.6 |
-13.2 |
0.724 |
2 |
0 |
0 |
0.096 |
| 17 |
20 |
|
[SO4]A:287 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
13347 |
89.9 |
-12.8 |
0.709 |
2 |
0 |
0 |
0.117 |
| 18 |
21 |
|
[SO4]A:283 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
13347 |
89.4 |
-10.6 |
0.906 |
3 |
0 |
0 |
0.101 |
22 |
|
[SO4]B:282 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
12765 |
89.4 |
-10.6 |
0.901 |
4 |
0 |
0 |
0.101 |
| Average: |
89.4 |
-10.6 |
0.904 |
4 |
0 |
0 |
0.101 |
| 19 |
23 |
|
C |
15 |
7 |
13041 |
◊ |
[SUC]A:3 |
x,y,z-1 |
1_554 |
9 |
1 |
452 |
87.1 |
1.6 |
0.626 |
1 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[SO4]A:286 |
5 |
1 |
185 |
f |
B |
x-1,y-1,z+1 |
1_446 |
13 |
5 |
12765 |
85.9 |
-12.2 |
0.686 |
3 |
0 |
0 |
0.092 |
| 21 |
25 |
|
[SO4]D:4 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
12905 |
82.7 |
-10.2 |
0.820 |
3 |
0 |
0 |
0.079 |
| 22 |
26 |
|
C |
11 |
6 |
13041 |
◊ |
[SO4]A:283 |
x,y,z-1 |
1_554 |
5 |
1 |
185 |
81.6 |
-8.6 |
0.912 |
2 |
0 |
0 |
0.081 |
| 23 |
27 |
|
[SO4]C:283 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
13041 |
81.6 |
-12.9 |
0.676 |
1 |
0 |
0 |
0.113 |
| 24 |
28 |
|
[SO4]D:283 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
12905 |
80.7 |
-12.8 |
0.693 |
1 |
0 |
0 |
0.090 |
| 25 |
29 |
|
[SO4]D:282 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
12905 |
80.0 |
-11.7 |
0.819 |
3 |
0 |
0 |
0.089 |
| 26 |
30 |
|
D |
10 |
6 |
12905 |
◊ |
[SO4]B:282 |
x,y,z-1 |
1_554 |
5 |
1 |
185 |
79.9 |
-8.2 |
0.950 |
2 |
0 |
0 |
0.062 |
| 27 |
31 |
|
[SO4]D:285 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
12905 |
79.6 |
-11.6 |
0.696 |
2 |
0 |
0 |
0.085 |
| 28 |
32 |
|
[SO4]A:286 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
13347 |
71.8 |
-8.0 |
0.916 |
0 |
0 |
0 |
0.026 |
| 29 |
33 |
|
[SO4]B:283 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
12765 |
68.8 |
-7.0 |
0.966 |
5 |
0 |
0 |
0.063 |
| 30 |
34 |
|
[SO4]A:285 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13347 |
61.7 |
-8.7 |
0.728 |
1 |
0 |
0 |
0.078 |
| 31 |
35 |
|
[SO4]A:284 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
13347 |
60.4 |
-8.1 |
0.606 |
1 |
0 |
0 |
0.073 |
| 32 |
36 |
|
[SO4]D:4 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
12765 |
55.5 |
-6.1 |
0.879 |
3 |
0 |
0 |
0.048 |
| 33 |
37 |
|
[SO4]A:284 |
4 |
1 |
186 |
◊ |
D |
x,y-1,z+1 |
1_546 |
6 |
1 |
12905 |
50.1 |
-6.1 |
0.913 |
2 |
0 |
0 |
0.022 |
| 34 |
38 |
|
[SO4]A:282 |
4 |
1 |
185 |
f |
[SUC]A:2 |
x,y,z |
1_555 |
5 |
1 |
459 |
49.0 |
-5.5 |
0.583 |
1 |
0 |
0 |
0.050 |
| 35 |
39 |
|
[SO4]B:5 |
4 |
1 |
185 |
f |
[SUC]B:1 |
x,y,z |
1_555 |
5 |
1 |
459 |
48.9 |
-5.5 |
0.588 |
1 |
0 |
0 |
0.041 |
| 36 |
40 |
|
[SO4]D:285 |
4 |
1 |
184 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
3 |
12765 |
46.7 |
-6.0 |
0.760 |
0 |
0 |
0 |
0.041 |
| 37 |
41 |
|
[SO4]C:283 |
4 |
1 |
186 |
◊ |
A |
x,y,z-1 |
1_554 |
5 |
2 |
13347 |
39.7 |
-4.6 |
0.917 |
1 |
0 |
0 |
0.043 |
| 38 |
42 |
|
[SO4]D:283 |
4 |
1 |
185 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
2 |
12765 |
34.3 |
-3.1 |
0.917 |
0 |
0 |
0 |
0.021 |
| 39 |
43 |
|
A |
3 |
1 |
13347 |
◊ |
[SO4]D:4 |
x-1,y-1,z+1 |
1_446 |
3 |
1 |
185 |
32.5 |
-2.6 |
0.970 |
3 |
0 |
0 |
0.013 |
| 40 |
44 |
|
D |
3 |
2 |
12905 |
◊ |
[SO4]B:283 |
x,y,z-1 |
1_554 |
2 |
1 |
185 |
27.3 |
-3.1 |
0.908 |
1 |
0 |
0 |
0.024 |
| 41 |
45 |
|
[SO4]A:287 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
13041 |
24.3 |
-2.3 |
0.925 |
0 |
0 |
0 |
0.016 |
| 42 |
46 |
|
[SO4]D:284 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
12765 |
19.4 |
-2.3 |
0.782 |
0 |
0 |
0 |
0.015 |
| 43 |
47 |
|
[SO4]A:285 |
1 |
1 |
185 |
◊ |
D |
x,y-1,z+1 |
1_546 |
1 |
1 |
12905 |
3.0 |
-0.3 |
0.875 |
0 |
0 |
0 |
0.001 |
| 44 |
48 |
|
[SO4]A:286 |
1 |
1 |
185 |
◊ |
D |
x-1,y-1,z+1 |
1_446 |
1 |
1 |
12905 |
1.3 |
-0.2 |
0.863 |
0 |
0 |
0 |
0.001 |
|