| ## |
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 |
137 |
34 |
7914 |
◊ |
C |
x,y,z |
1_555 |
125 |
28 |
7563 |
1234.2 |
-12.4 |
0.576 |
21 |
0 |
0 |
0.518 |
2 |
|
E |
118 |
28 |
7212 |
◊ |
B |
x,y,z |
1_555 |
124 |
32 |
7832 |
1122.1 |
-11.7 |
0.585 |
17 |
0 |
0 |
0.518 |
3 |
|
F |
97 |
23 |
7534 |
◊ |
A |
x,y,z |
1_555 |
98 |
23 |
7289 |
870.0 |
-10.3 |
0.505 |
11 |
0 |
0 |
0.518 |
| Average: |
1075.4 |
-11.5 |
0.555 |
16 |
0 |
0 |
0.518 |
| 2 |
4 |
|
F |
103 |
31 |
7534 |
◊ |
D |
x,y,z |
1_555 |
99 |
28 |
7914 |
867.3 |
-14.0 |
0.308 |
11 |
1 |
0 |
0.619 |
5 |
|
C |
101 |
32 |
7563 |
◊ |
A |
x,y,z |
1_555 |
96 |
28 |
7289 |
865.4 |
-13.3 |
0.323 |
10 |
1 |
0 |
0.619 |
6 |
|
E |
94 |
27 |
7212 |
◊ |
D |
x,y,z |
1_555 |
99 |
32 |
7914 |
863.6 |
-14.4 |
0.268 |
11 |
1 |
0 |
0.619 |
7 |
|
B |
94 |
28 |
7832 |
◊ |
A |
x,y,z |
1_555 |
100 |
32 |
7289 |
855.7 |
-14.2 |
0.261 |
12 |
1 |
0 |
0.619 |
8 |
|
F |
94 |
28 |
7534 |
◊ |
E |
x,y,z |
1_555 |
94 |
31 |
7212 |
850.3 |
-12.2 |
0.387 |
11 |
1 |
0 |
0.619 |
9 |
|
C |
94 |
27 |
7563 |
◊ |
B |
x,y,z |
1_555 |
96 |
31 |
7832 |
847.2 |
-13.4 |
0.280 |
10 |
1 |
0 |
0.619 |
| Average: |
858.2 |
-13.6 |
0.304 |
11 |
1 |
0 |
0.619 |
| 3 |
10 |
|
E |
32 |
12 |
7212 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
30 |
10 |
7534 |
326.6 |
-1.3 |
0.639 |
3 |
3 |
0 |
0.000 |
| 4 |
11 |
|
D |
25 |
8 |
7914 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
27 |
8 |
7289 |
234.1 |
1.3 |
0.892 |
3 |
2 |
0 |
0.000 |
| 5 |
12 |
|
B |
25 |
10 |
7832 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
28 |
9 |
7914 |
226.0 |
-2.4 |
0.528 |
1 |
0 |
0 |
0.025 |
| 6 |
13 |
|
B |
29 |
9 |
7832 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
24 |
8 |
7563 |
219.7 |
-2.7 |
0.520 |
0 |
0 |
0 |
0.023 |
| 7 |
14 |
|
A |
18 |
8 |
7289 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
19 |
6 |
7832 |
190.9 |
-0.5 |
0.710 |
3 |
1 |
0 |
0.000 |
| 8 |
15 |
|
A |
23 |
7 |
7289 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
21 |
6 |
7563 |
184.6 |
-2.4 |
0.460 |
1 |
0 |
0 |
0.000 |
| 9 |
16 |
|
[FLC]C:140 |
12 |
1 |
310 |
◊ |
C |
x,y,z |
1_555 |
23 |
8 |
7563 |
173.1 |
-0.1 |
0.492 |
3 |
0 |
0 |
0.042 |
17 |
|
[FLC]D:140 |
12 |
1 |
311 |
◊ |
D |
x,y,z |
1_555 |
25 |
9 |
7914 |
170.0 |
-0.1 |
0.481 |
3 |
0 |
0 |
0.042 |
18 |
|
[FLC]E:140 |
12 |
1 |
309 |
◊ |
E |
x,y,z |
1_555 |
24 |
8 |
7212 |
167.2 |
-0.3 |
0.475 |
2 |
0 |
0 |
0.042 |
19 |
|
[FLC]A:140 |
12 |
1 |
308 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
7289 |
165.6 |
-0.4 |
0.450 |
2 |
0 |
0 |
0.042 |
20 |
|
[FLC]B:140 |
12 |
1 |
309 |
◊ |
B |
x,y,z |
1_555 |
24 |
8 |
7832 |
162.5 |
-0.9 |
0.431 |
2 |
0 |
0 |
0.042 |
| Average: |
167.7 |
-0.4 |
0.466 |
2 |
0 |
0 |
0.042 |
| 10 |
21 |
|
A |
19 |
7 |
7289 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
17 |
5 |
7914 |
165.0 |
-0.1 |
0.669 |
2 |
0 |
0 |
0.000 |
| 11 |
22 |
|
E |
17 |
5 |
7212 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
14 |
7 |
7563 |
121.2 |
-0.8 |
0.575 |
1 |
0 |
0 |
0.000 |
| 12 |
23 |
|
[GOL]F:145 |
6 |
1 |
218 |
f |
F |
x,y,z |
1_555 |
24 |
8 |
7534 |
102.1 |
-0.7 |
0.616 |
5 |
0 |
0 |
0.187 |
24 |
|
[GOL]B:145 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
7832 |
96.7 |
-0.4 |
0.639 |
6 |
0 |
0 |
0.187 |
25 |
|
[GOL]A:145 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
7289 |
94.6 |
-0.4 |
0.600 |
5 |
0 |
0 |
0.187 |
26 |
|
[GOL]D:145 |
6 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
24 |
8 |
7914 |
94.1 |
-0.4 |
0.595 |
4 |
0 |
0 |
0.187 |
27 |
|
[GOL]E:145 |
6 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
24 |
8 |
7212 |
93.6 |
-0.4 |
0.669 |
6 |
0 |
0 |
0.187 |
| Average: |
96.2 |
-0.4 |
0.624 |
5 |
0 |
0 |
0.187 |
| 13 |
28 |
|
[GOL]C:145 |
6 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
7563 |
99.7 |
-0.6 |
0.614 |
6 |
0 |
0 |
0.074 |
| 14 |
29 |
|
[FLC]D:140 |
9 |
1 |
311 |
f |
F |
x,y,z |
1_555 |
14 |
4 |
7534 |
95.0 |
1.0 |
0.712 |
4 |
0 |
0 |
0.069 |
30 |
|
[FLC]C:140 |
9 |
1 |
310 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
7832 |
94.1 |
0.9 |
0.711 |
5 |
0 |
0 |
0.069 |
31 |
|
[FLC]E:140 |
9 |
1 |
309 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
7914 |
92.2 |
1.0 |
0.714 |
5 |
0 |
0 |
0.069 |
32 |
|
[FLC]A:140 |
9 |
1 |
308 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
7563 |
91.0 |
1.0 |
0.706 |
5 |
0 |
0 |
0.069 |
33 |
|
[FLC]B:140 |
8 |
1 |
309 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
7289 |
84.8 |
1.0 |
0.751 |
5 |
0 |
0 |
0.069 |
| Average: |
91.4 |
1.0 |
0.719 |
5 |
0 |
0 |
0.069 |
| 15 |
34 |
|
E |
14 |
6 |
7212 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
9 |
5 |
7289 |
91.9 |
-1.1 |
0.404 |
0 |
0 |
0 |
0.000 |
| 16 |
35 |
|
B |
10 |
5 |
7832 |
f |
[SO4]C:155 |
x-1/2,-y-1/2,-z |
4_445 |
5 |
1 |
184 |
89.8 |
-12.7 |
0.739 |
3 |
0 |
0 |
0.227 |
| 17 |
36 |
|
D |
6 |
2 |
7914 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
7289 |
66.9 |
1.7 |
0.931 |
0 |
0 |
0 |
0.000 |
37 |
|
F |
7 |
2 |
7534 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
7832 |
64.0 |
1.3 |
0.862 |
0 |
0 |
0 |
0.000 |
38 |
|
E |
7 |
2 |
7212 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
7563 |
62.5 |
1.1 |
0.741 |
0 |
0 |
0 |
0.000 |
| Average: |
64.5 |
1.4 |
0.845 |
0 |
0 |
0 |
0.000 |
| 18 |
39 |
|
[SO4]D:155 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
7914 |
59.9 |
-6.8 |
0.936 |
2 |
0 |
0 |
0.176 |
| 19 |
40 |
|
[SO4]B:155 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
7832 |
57.1 |
-6.2 |
0.939 |
2 |
0 |
0 |
0.115 |
| 20 |
41 |
|
[SO4]F:155 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
7534 |
55.5 |
-5.8 |
0.945 |
2 |
0 |
0 |
0.227 |
| 21 |
42 |
|
[SO4]C:155 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
7563 |
51.0 |
-5.4 |
0.953 |
2 |
0 |
0 |
0.054 |
| 22 |
43 |
|
[SO4]E:150 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
7212 |
41.9 |
-4.4 |
0.914 |
2 |
0 |
0 |
0.086 |
| 23 |
44 |
|
[SO4]C:150 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
7563 |
40.5 |
-4.0 |
0.951 |
1 |
0 |
0 |
0.103 |
| 24 |
45 |
|
[SO4]B:150 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
7914 |
40.4 |
-4.1 |
0.887 |
1 |
0 |
0 |
0.017 |
| 25 |
46 |
|
[SO4]B:150 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
7832 |
40.4 |
-4.2 |
0.886 |
1 |
0 |
0 |
0.075 |
| 26 |
47 |
|
[SO4]E:150 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
7289 |
37.9 |
-4.0 |
0.826 |
1 |
0 |
0 |
0.017 |
| 27 |
48 |
|
[SO4]C:150 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
7534 |
36.8 |
-3.9 |
0.865 |
1 |
0 |
0 |
0.016 |
| 28 |
49 |
|
[GOL]A:145 |
3 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
7563 |
29.3 |
-0.2 |
0.451 |
0 |
0 |
0 |
0.002 |
| 29 |
50 |
|
[SO4]E:150 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
7832 |
29.3 |
-3.2 |
0.970 |
1 |
0 |
0 |
0.058 |
| 30 |
51 |
|
[GOL]D:145 |
3 |
1 |
215 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
7534 |
27.9 |
-0.2 |
0.466 |
0 |
0 |
0 |
0.002 |
52 |
|
[GOL]C:145 |
2 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
7832 |
22.4 |
-0.2 |
0.501 |
0 |
0 |
0 |
0.002 |
| Average: |
25.2 |
-0.2 |
0.483 |
0 |
0 |
0 |
0.002 |
| 31 |
53 |
|
[GOL]C:145 |
2 |
1 |
216 |
◊ |
[GOL]A:145 |
x,y,z |
1_555 |
3 |
1 |
217 |
26.2 |
-0.1 |
0.540 |
1 |
0 |
0 |
0.016 |
54 |
|
[GOL]E:145 |
3 |
1 |
216 |
◊ |
[GOL]D:145 |
x,y,z |
1_555 |
2 |
1 |
215 |
25.4 |
-0.0 |
0.569 |
1 |
0 |
0 |
0.016 |
55 |
|
[GOL]F:145 |
3 |
1 |
218 |
◊ |
[GOL]E:145 |
x,y,z |
1_555 |
2 |
1 |
216 |
25.2 |
-0.0 |
0.569 |
1 |
0 |
0 |
0.016 |
56 |
|
[GOL]B:145 |
3 |
1 |
216 |
◊ |
[GOL]A:145 |
x,y,z |
1_555 |
2 |
1 |
217 |
25.2 |
-0.1 |
0.525 |
1 |
0 |
0 |
0.016 |
57 |
|
[GOL]C:145 |
3 |
1 |
216 |
◊ |
[GOL]B:145 |
x,y,z |
1_555 |
2 |
1 |
216 |
25.0 |
-0.0 |
0.548 |
1 |
0 |
0 |
0.016 |
58 |
|
[GOL]F:145 |
2 |
1 |
218 |
◊ |
[GOL]D:145 |
x,y,z |
1_555 |
3 |
1 |
215 |
24.9 |
0.0 |
0.540 |
1 |
0 |
0 |
0.016 |
| Average: |
25.3 |
-0.0 |
0.549 |
1 |
0 |
0 |
0.016 |
| 32 |
59 |
|
[GOL]F:145 |
2 |
1 |
218 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
7212 |
22.6 |
-0.2 |
0.537 |
0 |
0 |
0 |
0.004 |
60 |
|
[GOL]E:145 |
2 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
7914 |
22.5 |
-0.2 |
0.492 |
0 |
0 |
0 |
0.004 |
61 |
|
[GOL]B:145 |
2 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
7289 |
21.9 |
-0.2 |
0.540 |
0 |
0 |
0 |
0.004 |
| Average: |
22.3 |
-0.2 |
0.523 |
0 |
0 |
0 |
0.004 |
| 33 |
62 |
|
[GOL]E:145 |
2 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
7534 |
21.3 |
0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
63 |
|
[GOL]D:145 |
2 |
1 |
215 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
7212 |
13.7 |
0.3 |
0.691 |
1 |
0 |
0 |
0.000 |
64 |
|
[GOL]F:145 |
2 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
7914 |
13.1 |
0.2 |
0.723 |
0 |
0 |
0 |
0.000 |
65 |
|
[GOL]C:145 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
7289 |
12.7 |
0.3 |
0.630 |
0 |
0 |
0 |
0.000 |
| Average: |
15.2 |
0.2 |
0.668 |
0 |
0 |
0 |
0.000 |
| 34 |
66 |
|
E |
6 |
3 |
7212 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
7914 |
20.2 |
-0.3 |
0.545 |
0 |
0 |
0 |
0.000 |
| 35 |
67 |
|
[GOL]B:145 |
2 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
7563 |
20.0 |
0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
68 |
|
[GOL]A:145 |
2 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
7832 |
13.7 |
0.3 |
0.682 |
0 |
0 |
0 |
0.000 |
| Average: |
16.8 |
0.2 |
0.674 |
0 |
0 |
0 |
0.000 |
| 36 |
69 |
|
[FLC]B:140 |
4 |
1 |
309 |
◊ |
[SO4]C:155 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
184 |
17.0 |
-2.3 |
0.578 |
0 |
0 |
0 |
0.021 |
| 37 |
70 |
|
B |
2 |
1 |
7832 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
2 |
7534 |
13.7 |
-0.1 |
0.508 |
0 |
0 |
0 |
0.000 |
| 38 |
71 |
|
[SO4]C:150 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
7914 |
12.2 |
-1.8 |
0.538 |
0 |
0 |
0 |
0.041 |
| 39 |
72 |
|
[SO4]B:150 |
1 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
7212 |
4.6 |
-0.6 |
0.537 |
0 |
0 |
0 |
0.010 |
| 40 |
73 |
|
[SO4]B:150 |
1 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
7563 |
3.9 |
-0.5 |
0.723 |
0 |
0 |
0 |
0.005 |
| 41 |
74 |
|
[SO4]B:155 |
1 |
1 |
185 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
7563 |
1.9 |
-0.3 |
0.686 |
0 |
0 |
0 |
0.002 |
| 42 |
75 |
|
A |
1 |
1 |
7289 |
◊ |
[SO4]C:155 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
184 |
0.2 |
-0.0 |
0.837 |
0 |
0 |
0 |
0.000 |
|