| ## |
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 |
|
A |
195 |
54 |
14938 |
◊ |
A |
-x+3/2,-y+1/2,z |
6_655 |
196 |
54 |
14938 |
1964.9 |
-28.9 |
0.026 |
28 |
20 |
0 |
0.279 |
2 |
|
B |
188 |
52 |
14833 |
◊ |
B |
-x+3/2,-y+1/2,z |
6_655 |
188 |
52 |
14833 |
1937.7 |
-32.9 |
0.007 |
24 |
20 |
0 |
0.279 |
3 |
|
O |
185 |
52 |
14933 |
◊ |
O |
-x+1,-y,z |
2_655 |
186 |
52 |
14933 |
1927.9 |
-29.3 |
0.011 |
27 |
20 |
0 |
0.279 |
| Average: |
1943.5 |
-30.4 |
0.014 |
26 |
20 |
0 |
0.279 |
| 2 |
4 |
|
O |
128 |
37 |
14933 |
◊ |
O |
-x+1,y,-z |
3_655 |
124 |
37 |
14933 |
1248.8 |
-15.9 |
0.096 |
17 |
0 |
0 |
0.181 |
5 |
|
B |
127 |
35 |
14833 |
◊ |
A |
x,y,z |
1_555 |
123 |
37 |
14938 |
1217.5 |
-18.1 |
0.065 |
15 |
0 |
1 |
0.181 |
| Average: |
1233.1 |
-17.0 |
0.080 |
16 |
0 |
1 |
0.181 |
| 3 |
6 |
|
[NDP]O:7335 |
42 |
1 |
884 |
f |
O |
x,y,z |
1_555 |
79 |
31 |
14933 |
556.1 |
-3.6 |
0.459 |
11 |
0 |
0 |
0.105 |
7 |
|
[NDP]A:1335 |
43 |
1 |
881 |
f |
A |
x,y,z |
1_555 |
77 |
30 |
14938 |
533.0 |
-4.2 |
0.391 |
7 |
0 |
0 |
0.105 |
8 |
|
[NDP]B:2335 |
42 |
1 |
878 |
f |
B |
x,y,z |
1_555 |
72 |
30 |
14833 |
526.2 |
-3.9 |
0.389 |
7 |
0 |
0 |
0.105 |
| Average: |
538.4 |
-3.9 |
0.413 |
8 |
0 |
0 |
0.105 |
| 4 |
9 |
|
O |
47 |
14 |
14933 |
◊ |
O |
x,-y,-z |
4_555 |
47 |
14 |
14933 |
389.7 |
-2.6 |
0.483 |
2 |
0 |
0 |
0.017 |
10 |
|
B |
48 |
13 |
14833 |
◊ |
A |
-x+3/2,-y+1/2,z |
6_655 |
46 |
13 |
14938 |
389.6 |
-3.1 |
0.481 |
1 |
0 |
0 |
0.017 |
| Average: |
389.7 |
-2.9 |
0.482 |
2 |
0 |
0 |
0.017 |
| 5 |
11 |
|
O |
37 |
11 |
14933 |
◊ |
B |
-x+1,-y,z |
2_655 |
45 |
16 |
14833 |
340.7 |
-3.0 |
0.430 |
1 |
0 |
0 |
0.030 |
12 |
|
O |
43 |
15 |
14933 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
31 |
9 |
14938 |
331.6 |
-2.9 |
0.413 |
1 |
0 |
0 |
0.030 |
| Average: |
336.2 |
-3.0 |
0.422 |
1 |
0 |
0 |
0.030 |
| 6 |
13 |
|
O |
43 |
17 |
14933 |
◊ |
B |
-x+1,y,-z+1 |
3_656 |
45 |
16 |
14833 |
335.3 |
-1.2 |
0.614 |
3 |
0 |
0 |
0.000 |
| 7 |
14 |
|
B |
18 |
5 |
14833 |
◊ |
B |
-x+1,y,-z+1 |
3_656 |
18 |
5 |
14833 |
148.2 |
-0.6 |
0.597 |
0 |
0 |
0 |
0.000 |
| 8 |
15 |
|
[SO4]O:7339 |
5 |
1 |
186 |
f |
O |
x,y,z |
1_555 |
21 |
12 |
14933 |
111.5 |
-15.1 |
0.775 |
5 |
0 |
0 |
0.216 |
| 9 |
16 |
|
[SO4]B:2339 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
12 |
14833 |
110.0 |
-15.6 |
0.772 |
4 |
0 |
0 |
0.208 |
| 10 |
17 |
|
[SO4]A:1339 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
22 |
13 |
14938 |
109.9 |
-15.5 |
0.778 |
5 |
0 |
0 |
0.196 |
| 11 |
18 |
|
[SO4]B:901 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
14833 |
88.0 |
-13.3 |
0.653 |
2 |
0 |
0 |
0.170 |
| 12 |
19 |
|
[SO4]A:1338 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
14938 |
76.6 |
-11.3 |
0.746 |
4 |
0 |
0 |
0.145 |
| 13 |
20 |
|
[SO4]O:7338 |
5 |
1 |
185 |
f |
O |
x,y,z |
1_555 |
11 |
6 |
14933 |
75.1 |
-10.6 |
0.781 |
3 |
0 |
0 |
0.148 |
| 14 |
21 |
|
[SO4]B:2338 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
14833 |
73.6 |
-10.5 |
0.768 |
2 |
0 |
0 |
0.137 |
| 15 |
22 |
|
[SO4]A:903 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
14938 |
73.0 |
-10.3 |
0.662 |
1 |
0 |
0 |
0.119 |
| 16 |
23 |
|
[SO4]O:902 |
5 |
1 |
186 |
f |
O |
x,y,z |
1_555 |
11 |
5 |
14933 |
72.6 |
-10.4 |
0.684 |
1 |
0 |
0 |
0.135 |
| 17 |
24 |
|
[SO4]A:905 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
14938 |
70.9 |
-10.1 |
0.685 |
2 |
0 |
0 |
0.121 |
| 18 |
25 |
|
[SO4]O:904 |
5 |
1 |
186 |
f |
O |
x,y,z |
1_555 |
10 |
3 |
14933 |
69.6 |
-10.2 |
0.634 |
1 |
0 |
0 |
0.132 |
| 19 |
26 |
|
[NDP]O:7335 |
10 |
1 |
884 |
◊ |
O |
-x+1,y,-z |
3_655 |
9 |
4 |
14933 |
65.8 |
-0.7 |
0.472 |
0 |
0 |
0 |
0.009 |
27 |
|
[NDP]A:1335 |
10 |
1 |
881 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
14833 |
59.1 |
-0.8 |
0.438 |
0 |
0 |
0 |
0.009 |
28 |
|
[NDP]B:2335 |
10 |
1 |
878 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
14938 |
57.4 |
-0.7 |
0.448 |
0 |
0 |
0 |
0.009 |
| Average: |
60.8 |
-0.7 |
0.453 |
0 |
0 |
0 |
0.009 |
| 20 |
29 |
|
[NDP]B:2335 |
11 |
1 |
878 |
f |
[SO4]B:2338 |
x,y,z |
1_555 |
4 |
1 |
186 |
53.3 |
-7.8 |
0.574 |
0 |
0 |
0 |
0.094 |
| 21 |
30 |
|
[NDP]O:7335 |
11 |
1 |
884 |
f |
[SO4]O:7338 |
x,y,z |
1_555 |
4 |
1 |
185 |
50.6 |
-7.5 |
0.589 |
0 |
0 |
0 |
0.093 |
| 22 |
31 |
|
[NDP]A:1335 |
12 |
1 |
881 |
f |
[SO4]A:1338 |
x,y,z |
1_555 |
4 |
1 |
186 |
49.7 |
-7.3 |
0.596 |
0 |
0 |
0 |
0.080 |
| 23 |
32 |
|
[SO4]O:902 |
4 |
1 |
186 |
◊ |
B |
-x+1,-y,z |
2_655 |
5 |
2 |
14833 |
48.9 |
-6.4 |
0.746 |
1 |
0 |
0 |
0.031 |
| 24 |
33 |
|
O |
5 |
2 |
14933 |
◊ |
[SO4]A:903 |
x-1/2,-y+1/2,-z |
8_455 |
3 |
1 |
186 |
43.7 |
-5.1 |
0.897 |
1 |
0 |
0 |
0.025 |
| 25 |
34 |
|
[SO4]O:904 |
3 |
1 |
186 |
◊ |
B |
-x+1,-y,z |
2_655 |
5 |
3 |
14833 |
32.2 |
-3.7 |
0.837 |
1 |
0 |
0 |
0.019 |
| 26 |
35 |
|
O |
4 |
3 |
14933 |
◊ |
[SO4]A:905 |
x-1/2,-y+1/2,-z |
8_455 |
4 |
1 |
186 |
31.5 |
-3.9 |
0.530 |
0 |
0 |
0 |
0.017 |
| 27 |
36 |
|
A |
3 |
1 |
14938 |
◊ |
A |
-x+1,y,-z+1 |
3_656 |
3 |
1 |
14938 |
28.9 |
-0.1 |
0.582 |
0 |
0 |
0 |
0.000 |
| 28 |
37 |
|
[SO4]B:2339 |
1 |
1 |
185 |
f |
[SO4]B:2338 |
x,y,z |
1_555 |
1 |
1 |
186 |
9.7 |
-2.3 |
0.800 |
0 |
0 |
0 |
0.028 |
| 29 |
38 |
|
[SO4]O:7339 |
1 |
1 |
186 |
f |
[SO4]O:7338 |
x,y,z |
1_555 |
2 |
1 |
185 |
5.5 |
-1.3 |
0.876 |
0 |
0 |
0 |
0.016 |
| 30 |
39 |
|
[SO4]A:1339 |
1 |
1 |
186 |
f |
[SO4]A:1338 |
x,y,z |
1_555 |
3 |
1 |
186 |
5.0 |
-1.1 |
0.894 |
0 |
0 |
0 |
0.012 |
| 31 |
40 |
|
[NDP]A:1335 |
1 |
1 |
881 |
f |
[SO4]A:1339 |
x,y,z |
1_555 |
1 |
1 |
186 |
0.1 |
-0.0 |
0.750 |
0 |
0 |
0 |
0.000 |
|