| ## |
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 |
136 |
45 |
14774 |
◊ |
A |
x,y,z |
1_555 |
144 |
46 |
14820 |
1470.4 |
-23.2 |
0.006 |
11 |
0 |
0 |
0.171 |
| 2 |
2 |
|
B |
67 |
21 |
14774 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
66 |
21 |
14774 |
560.6 |
0.6 |
0.747 |
4 |
0 |
0 |
0.003 |
| 3 |
3 |
|
B |
56 |
18 |
14774 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
55 |
16 |
14820 |
531.5 |
-6.1 |
0.179 |
4 |
0 |
0 |
0.045 |
| 4 |
4 |
|
B |
51 |
15 |
14774 |
◊ |
B |
x,-y,-z+1 |
4_556 |
51 |
15 |
14774 |
490.6 |
-2.1 |
0.505 |
2 |
2 |
0 |
0.000 |
| 5 |
5 |
|
A |
53 |
17 |
14820 |
x |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
42 |
14 |
14820 |
411.8 |
1.6 |
0.756 |
5 |
4 |
0 |
0.000 |
| 6 |
6 |
|
[ADP]A:350 |
27 |
1 |
532 |
f |
A |
x,y,z |
1_555 |
55 |
24 |
14820 |
335.8 |
-4.9 |
0.578 |
8 |
0 |
0 |
0.105 |
7 |
|
[ADP]B:350 |
27 |
1 |
528 |
f |
B |
x,y,z |
1_555 |
53 |
22 |
14774 |
331.1 |
-5.4 |
0.561 |
8 |
0 |
0 |
0.105 |
| Average: |
333.5 |
-5.1 |
0.570 |
8 |
0 |
0 |
0.105 |
| 7 |
8 |
|
A |
27 |
8 |
14820 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
33 |
10 |
14774 |
245.5 |
0.6 |
0.697 |
3 |
1 |
0 |
0.000 |
| 8 |
9 |
|
[PHY]A:355 |
14 |
1 |
399 |
f |
A |
x,y,z |
1_555 |
42 |
21 |
14820 |
237.9 |
0.6 |
0.715 |
8 |
0 |
0 |
0.036 |
10 |
|
[PHY]B:355 |
14 |
1 |
392 |
f |
B |
x,y,z |
1_555 |
42 |
21 |
14774 |
237.1 |
0.9 |
0.699 |
9 |
0 |
0 |
0.036 |
| Average: |
237.5 |
0.8 |
0.707 |
9 |
0 |
0 |
0.036 |
| 9 |
11 |
|
A |
20 |
8 |
14820 |
◊ |
B |
x,y,z-1 |
1_554 |
18 |
7 |
14774 |
164.3 |
0.3 |
0.661 |
2 |
2 |
0 |
0.000 |
| 10 |
12 |
|
A |
14 |
4 |
14820 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
14 |
4 |
14820 |
122.9 |
0.1 |
0.635 |
2 |
2 |
0 |
0.003 |
| 11 |
13 |
|
[GOL]B:1346 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
14774 |
118.1 |
-0.2 |
0.593 |
3 |
0 |
0 |
0.010 |
| 12 |
14 |
|
[GOL]A:990 |
6 |
1 |
221 |
cf |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
22 |
7 |
14820 |
115.1 |
0.3 |
0.649 |
1 |
0 |
0 |
0.001 |
| 13 |
15 |
|
[GOL]B:1347 |
6 |
1 |
222 |
cf |
B |
x,y,z |
1_555 |
16 |
7 |
14774 |
112.7 |
-0.5 |
0.481 |
1 |
0 |
0 |
0.006 |
| 14 |
16 |
|
[GOL]A:1350 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
14820 |
109.1 |
-0.8 |
0.406 |
2 |
0 |
0 |
0.011 |
| 15 |
17 |
|
[GOL]A:1346 |
6 |
1 |
212 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
14820 |
100.6 |
-0.2 |
0.613 |
1 |
0 |
0 |
0.004 |
| 16 |
18 |
|
A |
16 |
7 |
14820 |
◊ |
[GOL]A:1347 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
5 |
1 |
222 |
99.5 |
0.4 |
0.614 |
1 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[GOL]A:1348 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
14820 |
97.5 |
0.8 |
0.724 |
3 |
0 |
0 |
0.003 |
| 18 |
20 |
|
[GOL]B:1348 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
14774 |
94.4 |
0.5 |
0.669 |
1 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[GOL]A:1349 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
14820 |
94.4 |
-0.0 |
0.507 |
1 |
0 |
0 |
0.003 |
| 20 |
22 |
|
[GOL]B:1345 |
6 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
14774 |
93.1 |
0.5 |
0.679 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[GOL]B:1344 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
13 |
3 |
14774 |
82.5 |
-0.4 |
0.531 |
1 |
0 |
0 |
0.005 |
| 22 |
24 |
|
A |
13 |
5 |
14820 |
f |
[GOL]A:1345 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
5 |
1 |
211 |
80.0 |
-0.2 |
0.574 |
1 |
0 |
0 |
0.004 |
| 23 |
25 |
|
[GOL]A:1345 |
6 |
1 |
211 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
14820 |
73.6 |
0.2 |
0.654 |
1 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[SO4]B:1342 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
14774 |
73.0 |
-9.6 |
0.909 |
2 |
0 |
0 |
0.064 |
| 25 |
27 |
|
[SO4]A:1344 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
14774 |
72.4 |
-10.0 |
0.805 |
1 |
0 |
0 |
0.063 |
| 26 |
28 |
|
[SO4]A:1343 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
14820 |
71.9 |
-9.6 |
0.903 |
3 |
0 |
0 |
0.067 |
| 27 |
29 |
|
[GOL]B:1343 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
14774 |
69.5 |
-0.6 |
0.437 |
0 |
0 |
0 |
0.004 |
| 28 |
30 |
|
[SO4]A:1344 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
14820 |
67.3 |
-8.7 |
0.797 |
1 |
0 |
0 |
0.056 |
| 29 |
31 |
|
[GOL]A:1347 |
5 |
1 |
222 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
14820 |
57.1 |
-0.4 |
0.480 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[SO4]B:1342 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
14820 |
51.6 |
-6.3 |
0.782 |
0 |
0 |
0 |
0.039 |
| 31 |
33 |
|
[GOL]A:996 |
4 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
14820 |
51.3 |
-0.6 |
0.448 |
0 |
0 |
0 |
0.004 |
| 32 |
34 |
|
[SO4]A:1343 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
14774 |
45.0 |
-5.2 |
0.819 |
0 |
0 |
0 |
0.032 |
| 33 |
35 |
|
[GOL]A:996 |
3 |
1 |
220 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
6 |
2 |
14820 |
43.5 |
0.8 |
0.765 |
1 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[PHY]A:355 |
4 |
1 |
399 |
f |
[ADP]A:350 |
x,y,z |
1_555 |
6 |
1 |
532 |
38.8 |
-3.0 |
0.337 |
0 |
0 |
0 |
0.034 |
37 |
|
[PHY]B:355 |
4 |
1 |
392 |
f |
[ADP]B:350 |
x,y,z |
1_555 |
7 |
1 |
528 |
37.2 |
-2.6 |
0.373 |
0 |
0 |
0 |
0.034 |
| Average: |
38.0 |
-2.8 |
0.355 |
0 |
0 |
0 |
0.034 |
| 35 |
38 |
|
B |
5 |
2 |
14774 |
◊ |
B |
-x+1,y,-z+3/2 |
3_656 |
5 |
2 |
14774 |
38.6 |
0.8 |
0.815 |
0 |
0 |
0 |
0.000 |
| 36 |
39 |
|
[GOL]B:1343 |
3 |
1 |
219 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
4 |
2 |
14820 |
36.8 |
-0.3 |
0.510 |
0 |
0 |
0 |
0.002 |
| 37 |
40 |
|
[GOL]A:1346 |
2 |
1 |
212 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
4 |
2 |
14820 |
34.8 |
-0.0 |
0.571 |
1 |
0 |
0 |
0.000 |
| 38 |
41 |
|
[GOL]B:1345 |
2 |
1 |
218 |
f |
A |
-x+1,y,-z+1/2 |
3_655 |
2 |
1 |
14820 |
33.7 |
-0.9 |
0.174 |
0 |
0 |
0 |
0.005 |
| 39 |
42 |
|
[MG]B:360 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
14774 |
29.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.059 |
43 |
|
[MG]A:360 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
14820 |
28.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
29.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.059 |
| 40 |
44 |
|
[MG]B:365 |
1 |
1 |
98 |
f |
[ADP]B:350 |
x,y,z |
1_555 |
5 |
1 |
528 |
29.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.054 |
45 |
|
[MG]A:365 |
1 |
1 |
98 |
f |
[ADP]A:350 |
x,y,z |
1_555 |
5 |
1 |
532 |
27.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
28.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.054 |
| 41 |
46 |
|
[GOL]A:990 |
4 |
1 |
221 |
◊ |
[GOL]A:1345 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
4 |
1 |
211 |
28.7 |
-0.5 |
0.559 |
0 |
0 |
0 |
0.000 |
| 42 |
47 |
|
[MG]A:365 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
14820 |
27.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.038 |
48 |
|
[MG]B:365 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
9 |
14774 |
27.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.038 |
| Average: |
27.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.038 |
| 43 |
49 |
|
[MG]A:365 |
1 |
1 |
98 |
f |
[PHY]A:355 |
x,y,z |
1_555 |
1 |
1 |
399 |
26.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.046 |
50 |
|
[MG]B:365 |
1 |
1 |
98 |
f |
[PHY]B:355 |
x,y,z |
1_555 |
2 |
1 |
392 |
24.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.046 |
| Average: |
25.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.046 |
| 44 |
51 |
|
[MG]A:360 |
1 |
1 |
98 |
f |
[ADP]A:350 |
x,y,z |
1_555 |
4 |
1 |
532 |
22.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.039 |
52 |
|
[MG]B:360 |
1 |
1 |
98 |
f |
[ADP]B:350 |
x,y,z |
1_555 |
3 |
1 |
528 |
22.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.039 |
| Average: |
22.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.039 |
| 45 |
53 |
|
[MG]A:360 |
1 |
1 |
98 |
f |
[PHY]A:355 |
x,y,z |
1_555 |
3 |
1 |
399 |
21.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.027 |
54 |
|
[MG]B:360 |
1 |
1 |
98 |
f |
[PHY]B:355 |
x,y,z |
1_555 |
3 |
1 |
392 |
21.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.027 |
| Average: |
21.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.027 |
| 46 |
55 |
|
[GOL]A:1347 |
2 |
1 |
222 |
◊ |
[GOL]A:1345 |
x,y,z |
1_555 |
2 |
1 |
211 |
15.4 |
-0.2 |
0.583 |
0 |
0 |
0 |
0.000 |
| 47 |
56 |
|
[GOL]A:990 |
2 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14820 |
15.1 |
0.1 |
0.703 |
0 |
0 |
0 |
0.000 |
| 48 |
57 |
|
[GOL]B:1345 |
3 |
1 |
218 |
◊ |
[GOL]A:996 |
-x+1,y,-z+1/2 |
3_655 |
3 |
1 |
220 |
12.3 |
0.1 |
0.507 |
0 |
0 |
0 |
0.000 |
| 49 |
58 |
|
[MG]A:365 |
1 |
1 |
98 |
f |
[MG]A:360 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.010 |
| 50 |
59 |
|
[MG]B:365 |
1 |
1 |
98 |
f |
[MG]B:360 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.009 |
| 51 |
60 |
|
[GOL]A:990 |
2 |
1 |
221 |
◊ |
[GOL]A:1347 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
222 |
7.4 |
-0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
| 52 |
61 |
|
[GOL]A:996 |
2 |
1 |
220 |
f |
B |
-x+1,y,-z+1/2 |
3_655 |
2 |
2 |
14774 |
5.9 |
0.1 |
0.662 |
0 |
0 |
0 |
0.000 |
| 53 |
62 |
|
[GOL]B:1348 |
1 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14820 |
2.7 |
0.1 |
0.641 |
0 |
0 |
0 |
0.000 |
|