| ## |
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 |
70 |
21 |
6769 |
◊ |
A |
x,y,z |
1_555 |
71 |
21 |
6759 |
654.3 |
-11.7 |
0.050 |
6 |
0 |
0 |
0.789 |
| 2 |
2 |
|
B |
29 |
9 |
6769 |
◊ |
A |
x,y,z-1 |
1_554 |
28 |
11 |
6759 |
220.6 |
-0.8 |
0.600 |
1 |
0 |
0 |
0.000 |
| 3 |
3 |
|
A |
18 |
6 |
6759 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
27 |
9 |
6759 |
190.6 |
0.9 |
0.713 |
2 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
15 |
5 |
6769 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
9 |
6759 |
147.9 |
-0.5 |
0.614 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[BMA]E:1 |
12 |
1 |
302 |
◊ |
B |
x,y,z |
1_555 |
24 |
6 |
6769 |
128.5 |
0.9 |
0.208 |
2 |
0 |
0 |
0.000 |
6 |
|
[BMA]D:1 |
12 |
1 |
302 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
6759 |
127.9 |
0.9 |
0.217 |
2 |
0 |
0 |
0.000 |
| Average: |
128.2 |
0.9 |
0.212 |
2 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[BMA]F:1 |
12 |
1 |
301 |
f |
B |
x,y,z |
1_555 |
24 |
6 |
6769 |
124.4 |
0.7 |
0.212 |
2 |
0 |
0 |
0.022 |
8 |
|
[BMA]C:1 |
12 |
1 |
303 |
f |
A |
x,y,z |
1_555 |
24 |
6 |
6759 |
122.3 |
0.6 |
0.216 |
2 |
0 |
0 |
0.022 |
| Average: |
123.3 |
0.7 |
0.214 |
2 |
0 |
0 |
0.022 |
| 7 |
9 |
|
[MAN]E:3 |
9 |
1 |
288 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
6769 |
111.2 |
1.8 |
0.343 |
4 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[MAN]F:3 |
9 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
6769 |
110.3 |
1.9 |
0.347 |
4 |
0 |
0 |
0.000 |
11 |
|
[MAN]C:3 |
9 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
6759 |
109.7 |
2.0 |
0.363 |
4 |
0 |
0 |
0.000 |
| Average: |
110.0 |
1.9 |
0.355 |
4 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[MAN]D:3 |
9 |
1 |
288 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
6759 |
106.8 |
1.8 |
0.333 |
4 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[MAN]D:2 |
10 |
1 |
290 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
6759 |
100.7 |
2.0 |
0.335 |
3 |
0 |
0 |
0.000 |
14 |
|
[MAN]E:2 |
10 |
1 |
289 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
6769 |
94.9 |
1.7 |
0.335 |
3 |
0 |
0 |
0.000 |
| Average: |
97.8 |
1.8 |
0.335 |
3 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[MAN]F:2 |
10 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
6769 |
100.7 |
1.9 |
0.328 |
3 |
0 |
0 |
0.000 |
16 |
|
[MAN]C:2 |
10 |
1 |
288 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
6759 |
98.9 |
1.9 |
0.323 |
3 |
0 |
0 |
0.000 |
| Average: |
99.8 |
1.9 |
0.326 |
3 |
0 |
0 |
0.000 |
| 12 |
17 |
|
B |
9 |
4 |
6769 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
12 |
3 |
6769 |
92.4 |
-0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[SO4]B:203 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
6769 |
84.9 |
-12.7 |
0.768 |
4 |
0 |
0 |
0.797 |
| 14 |
19 |
|
A |
11 |
3 |
6759 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
3 |
6759 |
83.6 |
-0.6 |
0.466 |
0 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[MAN]E:3 |
7 |
1 |
288 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
16 |
4 |
6769 |
81.2 |
2.4 |
0.494 |
1 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[MAN]C:5 |
7 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
6759 |
78.3 |
1.2 |
0.309 |
0 |
0 |
0 |
0.000 |
22 |
|
[MAN]F:5 |
7 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
6769 |
76.9 |
1.2 |
0.314 |
0 |
0 |
0 |
0.000 |
| Average: |
77.6 |
1.2 |
0.311 |
0 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[MAN]E:5 |
7 |
1 |
292 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
6769 |
78.2 |
1.3 |
0.317 |
0 |
0 |
0 |
0.000 |
24 |
|
[MAN]D:5 |
7 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
6759 |
77.8 |
1.3 |
0.333 |
0 |
0 |
0 |
0.000 |
| Average: |
78.0 |
1.3 |
0.325 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[SO4]B:202 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
6769 |
75.9 |
-11.2 |
0.721 |
2 |
0 |
0 |
0.662 |
| 19 |
26 |
|
[MAN]E:4 |
4 |
1 |
291 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
9 |
4 |
6769 |
67.8 |
0.8 |
0.360 |
0 |
0 |
0 |
0.000 |
| 20 |
27 |
|
B |
8 |
2 |
6769 |
x |
B |
-x,y-1/2,-z |
2_545 |
7 |
4 |
6769 |
67.5 |
0.6 |
0.737 |
1 |
1 |
0 |
0.000 |
| 21 |
28 |
|
[MAN]E:5 |
6 |
1 |
292 |
cf |
[BMA]E:1 |
x,y,z |
1_555 |
5 |
1 |
302 |
63.3 |
2.5 |
0.298 |
1 |
0 |
0 |
0.000 |
29 |
|
[MAN]D:5 |
6 |
1 |
292 |
cf |
[BMA]D:1 |
x,y,z |
1_555 |
6 |
1 |
302 |
62.7 |
2.5 |
0.244 |
1 |
0 |
0 |
0.000 |
30 |
|
[MAN]F:5 |
6 |
1 |
292 |
cf |
[BMA]F:1 |
x,y,z |
1_555 |
6 |
1 |
301 |
61.9 |
2.5 |
0.250 |
1 |
0 |
0 |
0.000 |
31 |
|
[MAN]C:5 |
7 |
1 |
292 |
cf |
[BMA]C:1 |
x,y,z |
1_555 |
6 |
1 |
303 |
61.5 |
2.5 |
0.205 |
1 |
0 |
0 |
0.000 |
| Average: |
62.4 |
2.5 |
0.249 |
1 |
0 |
0 |
0.000 |
| 22 |
32 |
|
[MAN]D:3 |
5 |
1 |
288 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
9 |
4 |
6759 |
62.6 |
1.7 |
0.444 |
3 |
0 |
0 |
0.000 |
| 23 |
33 |
|
[SO4]A:701 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
6759 |
61.4 |
-6.8 |
0.955 |
2 |
0 |
0 |
0.426 |
| 24 |
34 |
|
[MAN]D:4 |
8 |
1 |
292 |
cf |
[MAN]D:2 |
x,y,z |
1_555 |
5 |
1 |
290 |
61.0 |
2.4 |
0.180 |
0 |
0 |
0 |
0.000 |
35 |
|
[MAN]C:4 |
8 |
1 |
293 |
cf |
[MAN]C:2 |
x,y,z |
1_555 |
5 |
1 |
288 |
59.6 |
2.4 |
0.184 |
0 |
0 |
0 |
0.000 |
36 |
|
[MAN]F:4 |
7 |
1 |
290 |
cf |
[MAN]F:2 |
x,y,z |
1_555 |
5 |
1 |
290 |
58.1 |
2.5 |
0.203 |
0 |
0 |
0 |
0.000 |
| Average: |
59.6 |
2.4 |
0.189 |
0 |
0 |
0 |
0.000 |
| 25 |
37 |
|
[SO4]B:201 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
6769 |
59.3 |
-7.2 |
0.840 |
1 |
0 |
0 |
0.422 |
| 26 |
38 |
|
[MAN]F:3 |
6 |
1 |
290 |
cf |
[MAN]F:2 |
x,y,z |
1_555 |
5 |
1 |
290 |
57.6 |
2.6 |
0.287 |
0 |
0 |
0 |
0.000 |
39 |
|
[MAN]C:3 |
6 |
1 |
290 |
cf |
[MAN]C:2 |
x,y,z |
1_555 |
5 |
1 |
288 |
57.1 |
2.6 |
0.307 |
0 |
0 |
0 |
0.000 |
40 |
|
[MAN]D:3 |
6 |
1 |
288 |
cf |
[MAN]D:2 |
x,y,z |
1_555 |
5 |
1 |
290 |
55.8 |
2.6 |
0.287 |
0 |
0 |
0 |
0.000 |
41 |
|
[MAN]E:3 |
6 |
1 |
288 |
cf |
[MAN]E:2 |
x,y,z |
1_555 |
5 |
1 |
289 |
52.8 |
2.4 |
0.307 |
0 |
0 |
0 |
0.000 |
| Average: |
55.8 |
2.6 |
0.297 |
0 |
0 |
0 |
0.000 |
| 27 |
42 |
|
[MAN]E:4 |
6 |
1 |
291 |
cf |
[MAN]E:2 |
x,y,z |
1_555 |
5 |
1 |
289 |
53.3 |
2.3 |
0.264 |
0 |
0 |
0 |
0.000 |
| 28 |
43 |
|
[MAN]E:4 |
7 |
1 |
291 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
6769 |
52.4 |
1.6 |
0.376 |
0 |
0 |
0 |
0.000 |
| 29 |
44 |
|
[MAN]D:2 |
6 |
1 |
290 |
cf |
[BMA]D:1 |
x,y,z |
1_555 |
3 |
1 |
302 |
49.3 |
2.1 |
0.280 |
0 |
0 |
0 |
0.000 |
45 |
|
[MAN]F:2 |
6 |
1 |
290 |
cf |
[BMA]F:1 |
x,y,z |
1_555 |
3 |
1 |
301 |
48.8 |
2.2 |
0.304 |
0 |
0 |
0 |
0.000 |
46 |
|
[MAN]C:2 |
6 |
1 |
288 |
cf |
[BMA]C:1 |
x,y,z |
1_555 |
3 |
1 |
303 |
47.5 |
2.1 |
0.304 |
0 |
0 |
0 |
0.000 |
47 |
|
[MAN]E:2 |
6 |
1 |
289 |
cf |
[BMA]E:1 |
x,y,z |
1_555 |
3 |
1 |
302 |
47.4 |
2.0 |
0.281 |
0 |
0 |
0 |
0.000 |
| Average: |
48.3 |
2.1 |
0.292 |
0 |
0 |
0 |
0.000 |
| 30 |
48 |
|
[MAN]F:4 |
5 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
6769 |
42.9 |
1.4 |
0.419 |
0 |
0 |
0 |
0.000 |
49 |
|
[MAN]C:4 |
5 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
6759 |
42.2 |
1.3 |
0.405 |
0 |
0 |
0 |
0.000 |
| Average: |
42.6 |
1.4 |
0.412 |
0 |
0 |
0 |
0.000 |
| 31 |
50 |
|
[MAN]D:4 |
4 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
6759 |
40.6 |
1.3 |
0.434 |
0 |
0 |
0 |
0.000 |
| 32 |
51 |
|
[MAN]D:4 |
2 |
1 |
292 |
f |
A |
x-1,y,z |
1_455 |
8 |
4 |
6759 |
39.5 |
1.0 |
0.626 |
0 |
0 |
0 |
0.000 |
| 33 |
52 |
|
[MAN]E:2 |
3 |
1 |
289 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
7 |
3 |
6769 |
39.4 |
-0.2 |
0.214 |
0 |
0 |
0 |
0.000 |
| 34 |
53 |
|
A |
5 |
1 |
6759 |
◊ |
[MAN]C:5 |
x-1,y,z |
1_455 |
4 |
1 |
292 |
39.3 |
1.2 |
0.471 |
0 |
0 |
0 |
0.000 |
| 35 |
54 |
|
[SO4]B:201 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
6759 |
39.2 |
-4.2 |
0.931 |
1 |
0 |
0 |
0.256 |
| 36 |
55 |
|
[SO4]A:701 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
6769 |
39.2 |
-4.2 |
0.926 |
1 |
0 |
0 |
0.258 |
| 37 |
56 |
|
[SO4]B:202 |
4 |
1 |
186 |
◊ |
A |
x,y,z-1 |
1_554 |
4 |
2 |
6759 |
36.7 |
-4.0 |
0.828 |
1 |
0 |
0 |
0.000 |
| 38 |
57 |
|
[MAN]D:5 |
2 |
1 |
292 |
f |
A |
x-1,y,z |
1_455 |
4 |
1 |
6759 |
34.9 |
0.8 |
0.548 |
0 |
0 |
0 |
0.000 |
| 39 |
58 |
|
[MAN]E:5 |
3 |
1 |
292 |
◊ |
[SO4]B:203 |
x,y,z |
1_555 |
3 |
1 |
186 |
24.5 |
-2.7 |
0.477 |
0 |
0 |
0 |
0.000 |
| 40 |
59 |
|
[MAN]D:4 |
4 |
1 |
292 |
f |
[MAN]C:5 |
x-1,y,z |
1_455 |
4 |
1 |
292 |
21.3 |
0.9 |
0.151 |
0 |
0 |
0 |
0.000 |
| 41 |
60 |
|
[MAN]F:4 |
4 |
1 |
290 |
f |
[MAN]E:4 |
x-1,y,z |
1_455 |
2 |
1 |
291 |
18.0 |
0.2 |
0.154 |
0 |
0 |
0 |
0.000 |
| 42 |
61 |
|
[MAN]F:5 |
2 |
1 |
292 |
◊ |
A |
x-1,y,z-1 |
1_454 |
2 |
1 |
6759 |
17.8 |
0.0 |
0.284 |
0 |
0 |
0 |
0.000 |
62 |
|
B |
2 |
1 |
6769 |
◊ |
[MAN]C:5 |
x-1,y,z-1 |
1_454 |
2 |
1 |
292 |
11.8 |
-0.0 |
0.291 |
0 |
0 |
0 |
0.000 |
| Average: |
14.8 |
-0.0 |
0.287 |
0 |
0 |
0 |
0.000 |
| 43 |
63 |
|
[MAN]E:3 |
4 |
1 |
288 |
f |
[BMA]E:1 |
x,y,z |
1_555 |
1 |
1 |
302 |
13.5 |
0.4 |
0.146 |
0 |
0 |
0 |
0.000 |
64 |
|
[MAN]F:3 |
4 |
1 |
290 |
f |
[BMA]F:1 |
x,y,z |
1_555 |
1 |
1 |
301 |
13.4 |
0.4 |
0.146 |
0 |
0 |
0 |
0.000 |
65 |
|
[MAN]D:3 |
3 |
1 |
288 |
f |
[BMA]D:1 |
x,y,z |
1_555 |
1 |
1 |
302 |
13.3 |
0.4 |
0.203 |
0 |
0 |
0 |
0.000 |
66 |
|
[MAN]C:3 |
4 |
1 |
290 |
f |
[BMA]C:1 |
x,y,z |
1_555 |
1 |
1 |
303 |
12.8 |
0.4 |
0.146 |
0 |
0 |
0 |
0.000 |
| Average: |
13.3 |
0.4 |
0.160 |
0 |
0 |
0 |
0.000 |
| 44 |
67 |
|
[BMA]F:1 |
1 |
1 |
301 |
◊ |
A |
x-1,y,z-1 |
1_454 |
2 |
2 |
6759 |
12.7 |
0.2 |
0.348 |
0 |
0 |
0 |
0.000 |
68 |
|
B |
1 |
1 |
6769 |
◊ |
[BMA]C:1 |
x-1,y,z-1 |
1_454 |
1 |
1 |
303 |
12.0 |
0.3 |
0.374 |
0 |
0 |
0 |
0.000 |
| Average: |
12.4 |
0.3 |
0.361 |
0 |
0 |
0 |
0.000 |
| 45 |
69 |
|
[MAN]D:4 |
3 |
1 |
292 |
f |
[BMA]C:1 |
x-1,y,z |
1_455 |
1 |
1 |
303 |
11.2 |
0.2 |
0.159 |
0 |
0 |
0 |
0.000 |
| 46 |
70 |
|
[MAN]F:3 |
1 |
1 |
290 |
◊ |
[MAN]C:4 |
x-1,y,z-1 |
1_454 |
1 |
1 |
293 |
5.7 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
71 |
|
[MAN]F:4 |
2 |
1 |
290 |
◊ |
[MAN]C:3 |
x-1,y,z-1 |
1_454 |
1 |
1 |
290 |
2.9 |
0.1 |
0.205 |
0 |
0 |
0 |
0.000 |
| Average: |
4.3 |
0.1 |
0.193 |
0 |
0 |
0 |
0.000 |
| 47 |
72 |
|
[BMA]D:1 |
1 |
1 |
302 |
f |
A |
x-1,y,z |
1_455 |
1 |
1 |
6759 |
3.9 |
-0.0 |
0.252 |
0 |
0 |
0 |
0.001 |
| 48 |
73 |
|
[MAN]D:2 |
1 |
1 |
290 |
f |
[MAN]C:5 |
x-1,y,z |
1_455 |
2 |
1 |
292 |
3.8 |
0.1 |
0.212 |
0 |
0 |
0 |
0.000 |
| 49 |
74 |
|
[MAN]F:3 |
2 |
1 |
290 |
◊ |
[MAN]C:2 |
x-1,y,z-1 |
1_454 |
1 |
1 |
288 |
3.3 |
-0.0 |
0.219 |
0 |
0 |
0 |
0.000 |
75 |
|
[MAN]F:2 |
1 |
1 |
290 |
◊ |
[MAN]C:3 |
x-1,y,z-1 |
1_454 |
2 |
1 |
290 |
3.2 |
-0.0 |
0.212 |
0 |
0 |
0 |
0.000 |
| Average: |
3.2 |
-0.0 |
0.216 |
0 |
0 |
0 |
0.000 |
| 50 |
76 |
|
B |
2 |
2 |
6769 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
6769 |
2.9 |
0.0 |
0.657 |
0 |
0 |
0 |
0.000 |
| 51 |
77 |
|
B |
1 |
1 |
6769 |
◊ |
A |
x-1,y,z-1 |
1_454 |
1 |
1 |
6759 |
2.2 |
-0.1 |
0.440 |
0 |
0 |
0 |
0.000 |
| 52 |
78 |
|
[MAN]F:2 |
1 |
1 |
290 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
6769 |
1.1 |
0.1 |
0.355 |
0 |
0 |
0 |
0.000 |
| 53 |
79 |
|
[MAN]F:4 |
1 |
1 |
290 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
6769 |
0.7 |
0.0 |
0.350 |
0 |
0 |
0 |
0.000 |
| 54 |
80 |
|
[MAN]D:4 |
1 |
1 |
292 |
f |
[MAN]C:2 |
x-1,y,z |
1_455 |
1 |
1 |
288 |
0.3 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
|