| ## |
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 |
|
D |
253 |
67 |
16174 |
◊ |
C |
x,y,z |
1_555 |
258 |
69 |
16162 |
2460.5 |
-16.5 |
0.316 |
38 |
12 |
0 |
0.183 |
| 2 |
2 |
|
D |
111 |
24 |
16174 |
◊ |
A |
x,y,z |
1_555 |
129 |
37 |
31243 |
1137.9 |
-14.2 |
0.103 |
8 |
0 |
0 |
0.099 |
3 |
|
C |
106 |
23 |
16162 |
◊ |
B |
x,y,z |
1_555 |
120 |
36 |
30355 |
1078.1 |
-10.8 |
0.203 |
10 |
4 |
0 |
0.099 |
| Average: |
1108.0 |
-12.5 |
0.153 |
9 |
2 |
0 |
0.099 |
| 3 |
4 |
|
A |
84 |
27 |
31243 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
77 |
27 |
30355 |
777.1 |
-10.5 |
0.127 |
3 |
0 |
0 |
0.059 |
| 4 |
5 |
|
B |
84 |
22 |
30355 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
87 |
21 |
31243 |
707.3 |
-4.3 |
0.519 |
9 |
0 |
0 |
0.019 |
| 5 |
6 |
|
A |
61 |
20 |
31243 |
◊ |
B |
x,y,z-1 |
1_554 |
54 |
21 |
30355 |
561.4 |
-3.1 |
0.523 |
4 |
4 |
0 |
0.000 |
| 6 |
7 |
|
D |
50 |
13 |
16174 |
◊ |
B |
x,y,z |
1_555 |
61 |
17 |
30355 |
536.7 |
1.4 |
0.786 |
8 |
8 |
0 |
0.017 |
8 |
|
C |
51 |
14 |
16162 |
◊ |
A |
x,y,z |
1_555 |
63 |
18 |
31243 |
515.9 |
0.4 |
0.705 |
8 |
8 |
0 |
0.017 |
| Average: |
526.3 |
0.9 |
0.746 |
8 |
8 |
0 |
0.017 |
| 7 |
9 |
|
B |
61 |
21 |
30355 |
◊ |
B |
-x,y,-z+1 |
2_556 |
61 |
21 |
30355 |
511.4 |
-3.9 |
0.469 |
2 |
2 |
0 |
0.000 |
| 8 |
10 |
|
C |
27 |
11 |
16162 |
◊ |
C |
-x,y,-z |
2_555 |
27 |
11 |
16162 |
276.3 |
3.5 |
0.919 |
6 |
8 |
0 |
0.002 |
| 9 |
11 |
|
D |
30 |
12 |
16174 |
◊ |
D |
-x,y,-z |
2_555 |
30 |
12 |
16174 |
244.8 |
2.2 |
0.892 |
1 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[GOL]A:1729 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
28 |
15 |
31243 |
161.6 |
-1.5 |
0.462 |
3 |
0 |
0 |
0.016 |
| 11 |
13 |
|
[GOL]B:1730 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
30 |
14 |
30355 |
160.4 |
-1.9 |
0.425 |
5 |
0 |
0 |
0.020 |
| 12 |
14 |
|
[GOL]A:1730 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
31243 |
155.3 |
-1.9 |
0.359 |
0 |
0 |
0 |
0.011 |
| 13 |
15 |
|
[GOL]B:1731 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
26 |
13 |
30355 |
148.1 |
-1.2 |
0.491 |
0 |
0 |
0 |
0.006 |
| 14 |
16 |
|
[GOL]D:1410 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
29 |
10 |
16174 |
143.4 |
-1.1 |
0.461 |
2 |
0 |
0 |
0.023 |
| 15 |
17 |
|
[GOL]C:1412 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
25 |
10 |
16162 |
142.1 |
-1.1 |
0.469 |
3 |
0 |
0 |
0.023 |
| 16 |
18 |
|
[GOL]A:1731 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
21 |
12 |
31243 |
134.6 |
-1.6 |
0.395 |
1 |
0 |
0 |
0.011 |
| 17 |
19 |
|
[SO4]C:1408 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
16162 |
100.4 |
-14.6 |
0.777 |
4 |
0 |
0 |
0.154 |
| 18 |
20 |
|
[SO4]D:1408 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
16174 |
99.9 |
-14.1 |
0.911 |
4 |
0 |
0 |
0.178 |
| 19 |
21 |
|
[SO4]A:1723 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
31243 |
94.9 |
-14.0 |
0.883 |
6 |
0 |
0 |
0.093 |
| 20 |
22 |
|
[GOL]A:1728 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
31243 |
94.4 |
-0.4 |
0.587 |
1 |
0 |
0 |
0.005 |
| 21 |
23 |
|
[SO4]A:1721 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
31243 |
93.5 |
-14.2 |
0.606 |
2 |
0 |
0 |
0.084 |
| 22 |
24 |
|
[SO4]C:1411 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
16162 |
92.2 |
-14.2 |
0.750 |
5 |
0 |
0 |
0.154 |
| 23 |
25 |
|
[SO4]B:1721 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
30355 |
91.9 |
-13.8 |
0.619 |
2 |
0 |
0 |
0.073 |
| 24 |
26 |
|
[SO4]C:1409 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
16162 |
88.1 |
-11.8 |
0.823 |
1 |
0 |
0 |
0.115 |
| 25 |
27 |
|
[SO4]D:1406 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
16174 |
83.9 |
-10.4 |
0.919 |
2 |
0 |
0 |
0.126 |
| 26 |
28 |
|
[SO4]C:1407 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
16162 |
77.7 |
-9.7 |
0.901 |
2 |
0 |
0 |
0.099 |
| 27 |
29 |
|
[SO4]B:1725 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
30355 |
76.7 |
-10.2 |
0.885 |
4 |
0 |
0 |
0.059 |
| 28 |
30 |
|
[SO4]C:1405 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
16162 |
76.1 |
-10.4 |
0.742 |
3 |
0 |
0 |
0.110 |
| 29 |
31 |
|
[SO4]A:1724 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
31243 |
74.9 |
-11.0 |
0.666 |
5 |
0 |
0 |
0.074 |
| 30 |
32 |
|
[SO4]D:1407 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
16174 |
73.4 |
-10.3 |
0.720 |
3 |
0 |
0 |
0.131 |
| 31 |
33 |
|
[GOL]B:1732 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
30355 |
71.1 |
-0.5 |
0.484 |
0 |
0 |
0 |
0.002 |
| 32 |
34 |
|
A |
13 |
6 |
31243 |
f |
[SO4]B:1726 |
-x-1/2,y-1/2,-z |
4_445 |
5 |
1 |
187 |
70.4 |
-9.6 |
0.809 |
1 |
0 |
0 |
0.056 |
| 33 |
35 |
|
[SO4]B:1727 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
30355 |
70.4 |
-10.0 |
0.631 |
2 |
0 |
0 |
0.054 |
| 34 |
36 |
|
[SO4]B:1729 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
30355 |
69.1 |
-9.9 |
0.518 |
0 |
0 |
0 |
0.049 |
| 35 |
37 |
|
[SO4]C:1410 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
16162 |
68.3 |
-7.7 |
0.964 |
4 |
0 |
0 |
0.089 |
| 36 |
38 |
|
[SO4]B:1724 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
30355 |
68.1 |
-7.8 |
0.931 |
1 |
0 |
0 |
0.041 |
| 37 |
39 |
|
[SO4]D:1404 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
16174 |
67.8 |
-8.5 |
0.963 |
5 |
0 |
0 |
0.120 |
| 38 |
40 |
|
[SO4]D:1405 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
16174 |
62.5 |
-7.7 |
0.899 |
1 |
0 |
0 |
0.091 |
| 39 |
41 |
|
[SO4]A:1727 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
31243 |
61.7 |
-8.6 |
0.730 |
2 |
0 |
0 |
0.053 |
| 40 |
42 |
|
[SO4]C:1404 |
5 |
1 |
187 |
◊ |
C |
-x,y,-z |
2_555 |
10 |
3 |
16162 |
61.4 |
-8.1 |
0.690 |
1 |
0 |
0 |
0.080 |
| 41 |
43 |
|
[SO4]B:1722 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
30355 |
61.4 |
-8.4 |
0.761 |
1 |
0 |
0 |
0.044 |
| 42 |
44 |
|
[SO4]C:1406 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
16162 |
61.3 |
-7.4 |
0.885 |
2 |
0 |
0 |
0.078 |
| 43 |
45 |
|
[SO4]A:1722 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
31243 |
61.1 |
-8.3 |
0.786 |
1 |
0 |
0 |
0.049 |
| 44 |
46 |
|
[SO4]C:1404 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
16162 |
60.7 |
-7.4 |
0.864 |
3 |
0 |
0 |
0.082 |
| 45 |
47 |
|
[SO4]B:1728 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
30355 |
60.5 |
-8.8 |
0.736 |
2 |
0 |
0 |
0.048 |
| 46 |
48 |
|
[SO4]A:1726 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
31243 |
57.9 |
-6.0 |
0.939 |
2 |
0 |
0 |
0.039 |
| 47 |
49 |
|
[SO4]A:1725 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
31243 |
56.7 |
-7.8 |
0.646 |
1 |
0 |
0 |
0.046 |
| 48 |
50 |
|
[SO4]B:1723 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
30355 |
55.2 |
-7.4 |
0.643 |
1 |
0 |
0 |
0.039 |
| 49 |
51 |
|
[SO4]D:1409 |
4 |
1 |
186 |
◊ |
D |
-x,y,-z |
2_555 |
13 |
6 |
16174 |
51.1 |
-7.3 |
0.863 |
2 |
0 |
0 |
0.092 |
| 50 |
52 |
|
D |
4 |
3 |
16174 |
◊ |
C |
-x,y,-z |
2_555 |
8 |
3 |
16162 |
49.2 |
-0.3 |
0.530 |
0 |
0 |
0 |
0.001 |
| 51 |
53 |
|
[SO4]B:1726 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
30355 |
48.7 |
-5.8 |
0.836 |
1 |
0 |
0 |
0.031 |
| 52 |
54 |
|
[SO4]D:1409 |
4 |
1 |
186 |
f |
[SO4]D:1409 |
-x,y,-z |
2_555 |
4 |
1 |
186 |
46.8 |
-10.6 |
0.998 |
0 |
0 |
0 |
0.100 |
| 53 |
55 |
|
[SO4]A:1722 |
3 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
16162 |
44.4 |
-4.5 |
0.946 |
1 |
0 |
0 |
0.011 |
| 54 |
56 |
|
[SO4]D:1404 |
4 |
1 |
187 |
◊ |
D |
-x,y,-z |
2_555 |
7 |
4 |
16174 |
43.1 |
-4.6 |
0.934 |
3 |
0 |
0 |
0.066 |
| 55 |
57 |
|
[SO4]B:1722 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
16174 |
42.6 |
-4.2 |
0.950 |
1 |
0 |
0 |
0.010 |
| 56 |
58 |
|
[SO4]B:1723 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
16162 |
41.3 |
-5.2 |
0.571 |
1 |
0 |
0 |
0.027 |
| 57 |
59 |
|
[GOL]B:1732 |
4 |
1 |
220 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
5 |
2 |
31243 |
38.4 |
-0.2 |
0.489 |
0 |
0 |
0 |
0.000 |
| 58 |
60 |
|
[SO4]D:1409 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
16174 |
37.9 |
-4.1 |
0.969 |
2 |
0 |
0 |
0.056 |
| 59 |
61 |
|
[SO4]A:1725 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
16174 |
36.1 |
-4.6 |
0.532 |
1 |
0 |
0 |
0.028 |
| 60 |
62 |
|
[SO4]C:1411 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
30355 |
34.6 |
-4.4 |
0.310 |
0 |
0 |
0 |
0.021 |
| 61 |
63 |
|
[SO4]D:1409 |
4 |
1 |
186 |
◊ |
[SO4]D:1404 |
x,y,z |
1_555 |
4 |
1 |
187 |
27.0 |
-5.9 |
0.998 |
0 |
0 |
0 |
0.066 |
| 62 |
64 |
|
[GOL]A:1731 |
4 |
1 |
219 |
f |
[GOL]A:1730 |
x,y,z |
1_555 |
1 |
1 |
218 |
21.4 |
-0.0 |
0.489 |
0 |
0 |
0 |
0.000 |
| 63 |
65 |
|
C |
2 |
1 |
16162 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
1 |
30355 |
20.3 |
-0.3 |
0.370 |
0 |
0 |
0 |
0.000 |
| 64 |
66 |
|
A |
3 |
2 |
31243 |
◊ |
[SO4]B:1724 |
x,y,z-1 |
1_554 |
2 |
1 |
186 |
17.7 |
-2.0 |
0.857 |
0 |
0 |
0 |
0.000 |
| 65 |
67 |
|
[SO4]C:1408 |
1 |
1 |
187 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
30355 |
7.4 |
-1.0 |
0.572 |
0 |
0 |
0 |
0.000 |
| 66 |
68 |
|
A |
2 |
1 |
31243 |
x |
A |
-x-1/2,y-1/2,-z-1 |
4_444 |
1 |
1 |
31243 |
4.5 |
-0.1 |
0.429 |
0 |
0 |
0 |
0.000 |
| 67 |
69 |
|
[SO4]C:1407 |
1 |
1 |
186 |
f |
[SO4]C:1406 |
x,y,z |
1_555 |
1 |
1 |
184 |
3.6 |
-0.9 |
1.000 |
0 |
0 |
0 |
0.008 |
| 68 |
70 |
|
[SO4]C:1410 |
1 |
1 |
186 |
f |
[SO4]C:1404 |
x,y,z |
1_555 |
1 |
1 |
187 |
2.4 |
-0.6 |
1.000 |
0 |
0 |
0 |
0.005 |
| 69 |
71 |
|
[SO4]D:1409 |
1 |
1 |
186 |
◊ |
[SO4]D:1404 |
-x,y,-z |
2_555 |
1 |
1 |
187 |
0.6 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.002 |
|