## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
166 |
46 |
20689 |
◊ |
A |
x,y,z |
1_555 |
168 |
46 |
21005 |
1480.2 |
-1.8 |
0.675 |
15 |
0 |
0 |
0.000 |
2 |
|
A |
95 |
28 |
21005 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
86 |
24 |
21005 |
784.4 |
0.8 |
0.683 |
10 |
2 |
0 |
0.000 |
3 |
|
A |
65 |
22 |
21005 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
68 |
23 |
20689 |
609.8 |
-2.5 |
0.488 |
1 |
2 |
0 |
0.000 |
4 |
|
B |
52 |
17 |
20689 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
56 |
14 |
21005 |
477.5 |
-0.9 |
0.560 |
7 |
0 |
0 |
0.000 |
5 |
|
A |
44 |
16 |
21005 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
45 |
15 |
20689 |
425.4 |
-3.7 |
0.272 |
4 |
0 |
0 |
0.000 |
6 |
|
[L2M]B:611 |
22 |
1 |
538 |
f |
B |
x,y,z |
1_555 |
57 |
16 |
20689 |
341.8 |
4.8 |
0.378 |
2 |
0 |
0 |
0.000 |
7 |
|
[L2M]A:629 |
24 |
1 |
555 |
f |
A |
x,y,z |
1_555 |
53 |
16 |
21005 |
324.2 |
2.8 |
0.160 |
2 |
0 |
0 |
0.000 |
8 |
|
A |
18 |
7 |
21005 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
15 |
5 |
20689 |
166.1 |
-1.1 |
0.400 |
0 |
0 |
0 |
0.000 |
9 |
|
[GOL]A:618 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
21005 |
154.0 |
0.2 |
0.605 |
4 |
0 |
0 |
0.005 |
10 |
|
[GOL]B:606 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
20689 |
137.9 |
-0.9 |
0.515 |
1 |
0 |
0 |
0.008 |
11 |
|
[GOL]B:608 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
20689 |
137.8 |
-0.7 |
0.471 |
3 |
0 |
0 |
0.012 |
12 |
|
[GOL]B:610 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
20689 |
136.9 |
0.4 |
0.624 |
3 |
0 |
0 |
0.006 |
13 |
|
[GOL]A:619 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
21005 |
134.5 |
0.3 |
0.575 |
2 |
0 |
0 |
0.002 |
14 |
|
[GOL]A:626 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
21005 |
130.4 |
-1.4 |
0.410 |
0 |
0 |
0 |
0.004 |
15 |
|
[GOL]A:620 |
6 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
21005 |
125.3 |
-0.7 |
0.499 |
2 |
0 |
0 |
0.005 |
16 |
|
A |
18 |
9 |
21005 |
f |
[GOL]A:617 |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
1 |
216 |
123.5 |
-0.1 |
0.567 |
4 |
0 |
0 |
0.006 |
17 |
|
[ACT]B:603 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
20689 |
110.5 |
-1.8 |
0.413 |
0 |
0 |
0 |
0.011 |
18 |
|
[GOL]A:623 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
21005 |
109.1 |
0.7 |
0.683 |
2 |
0 |
0 |
0.000 |
19 |
|
B |
13 |
5 |
20689 |
x |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
14 |
7 |
20689 |
105.8 |
-1.5 |
0.324 |
0 |
0 |
0 |
0.000 |
20 |
|
[ACT]A:606 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
21005 |
104.6 |
-0.6 |
0.592 |
1 |
0 |
0 |
0.003 |
21 |
|
[ACT]B:602 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
20689 |
100.1 |
-0.0 |
0.730 |
1 |
0 |
0 |
0.003 |
22 |
|
[GOL]A:625 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
21005 |
99.3 |
-0.9 |
0.415 |
1 |
0 |
0 |
0.004 |
23 |
|
[GOL]B:607 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
20689 |
96.9 |
-1.3 |
0.352 |
1 |
0 |
0 |
0.010 |
24 |
|
[ACT]A:610 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
21005 |
95.2 |
0.6 |
0.780 |
4 |
0 |
0 |
0.004 |
25 |
|
[ACT]A:601 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
21005 |
93.6 |
0.4 |
0.766 |
1 |
0 |
0 |
0.000 |
26 |
|
[GOL]A:616 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
21005 |
92.9 |
-0.8 |
0.407 |
0 |
0 |
0 |
0.002 |
27 |
|
[ACT]A:607 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
21005 |
92.7 |
-0.6 |
0.591 |
1 |
0 |
0 |
0.003 |
28 |
|
[ACT]A:609 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
21005 |
89.2 |
-1.2 |
0.579 |
0 |
0 |
0 |
0.004 |
29 |
|
[ACT]A:603 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
21005 |
88.2 |
-0.5 |
0.612 |
0 |
0 |
0 |
0.000 |
30 |
|
[GOL]A:625 |
5 |
1 |
218 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
8 |
4 |
20689 |
88.2 |
0.3 |
0.611 |
1 |
0 |
0 |
0.000 |
31 |
|
[GOL]A:622 |
6 |
1 |
218 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
13 |
7 |
20689 |
87.8 |
-0.2 |
0.538 |
1 |
0 |
0 |
0.000 |
32 |
|
[ACT]A:615 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
21005 |
84.4 |
-0.4 |
0.644 |
0 |
0 |
0 |
0.001 |
33 |
|
[ACT]A:612 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
21005 |
82.2 |
-0.7 |
0.506 |
0 |
0 |
0 |
0.002 |
34 |
|
A |
12 |
5 |
21005 |
f |
[GOL]A:623 |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
1 |
219 |
82.0 |
-1.1 |
0.283 |
0 |
0 |
0 |
0.003 |
35 |
|
A |
13 |
6 |
21005 |
◊ |
[GOL]A:624 |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
1 |
219 |
81.2 |
-0.6 |
0.472 |
0 |
0 |
0 |
0.000 |
36 |
|
[ACT]A:613 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
21005 |
79.1 |
-1.0 |
0.541 |
0 |
0 |
0 |
0.003 |
37 |
|
[ACT]A:605 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
21005 |
79.1 |
-0.0 |
0.644 |
1 |
0 |
0 |
0.000 |
38 |
|
A |
11 |
4 |
21005 |
f |
[GOL]B:609 |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
1 |
217 |
78.2 |
-0.6 |
0.466 |
1 |
0 |
0 |
0.003 |
39 |
|
[SO4]B:612 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
20689 |
76.7 |
-10.0 |
0.865 |
2 |
0 |
0 |
0.064 |
40 |
|
A |
13 |
4 |
21005 |
f |
[ACT]B:605 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
182 |
76.4 |
-0.6 |
0.615 |
2 |
0 |
0 |
0.004 |
41 |
|
[ACT]A:608 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
21005 |
75.5 |
0.2 |
0.723 |
2 |
0 |
0 |
0.002 |
42 |
|
A |
10 |
5 |
21005 |
◊ |
[ACT]A:614 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
182 |
73.3 |
-0.3 |
0.661 |
1 |
0 |
0 |
0.000 |
43 |
|
[GOL]B:609 |
5 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
20689 |
72.3 |
0.5 |
0.692 |
1 |
0 |
0 |
0.000 |
44 |
|
[ACT]B:605 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
20689 |
72.1 |
-0.1 |
0.630 |
0 |
0 |
0 |
0.000 |
45 |
|
[ACT]A:603 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
20689 |
70.5 |
-0.5 |
0.581 |
0 |
0 |
0 |
0.003 |
46 |
|
[SO4]A:632 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
21005 |
70.2 |
-10.6 |
0.666 |
3 |
0 |
0 |
0.036 |
47 |
|
[ACT]B:601 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
20689 |
68.0 |
-0.4 |
0.640 |
0 |
0 |
0 |
0.002 |
48 |
|
[ACT]A:614 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
21005 |
63.6 |
-0.4 |
0.680 |
1 |
0 |
0 |
0.002 |
49 |
|
[ACT]A:604 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
7 |
5 |
21005 |
63.5 |
0.9 |
0.811 |
1 |
0 |
0 |
0.000 |
50 |
|
[ACT]A:611 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
21005 |
61.7 |
0.6 |
0.745 |
3 |
0 |
0 |
0.002 |
51 |
|
[GOL]A:621 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
21005 |
60.9 |
0.9 |
0.674 |
3 |
0 |
0 |
0.001 |
52 |
|
[ACT]A:602 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
21005 |
59.8 |
-0.2 |
0.632 |
1 |
0 |
0 |
0.002 |
53 |
|
[GOL]A:624 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
21005 |
56.8 |
-0.2 |
0.475 |
1 |
0 |
0 |
0.002 |
54 |
|
[GOL]A:628 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
21005 |
54.5 |
0.7 |
0.639 |
2 |
0 |
0 |
0.000 |
55 |
|
[GOL]B:607 |
5 |
1 |
218 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
8 |
2 |
21005 |
53.1 |
0.4 |
0.650 |
2 |
0 |
0 |
0.000 |
56 |
|
[GOL]A:622 |
3 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
21005 |
51.7 |
-0.2 |
0.493 |
1 |
0 |
0 |
0.002 |
57 |
|
B |
10 |
4 |
20689 |
◊ |
[ACT]A:611 |
x-1,y,z |
1_455 |
3 |
1 |
183 |
51.1 |
0.2 |
0.712 |
0 |
0 |
0 |
0.000 |
58 |
|
[ACT]B:604 |
4 |
1 |
184 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
10 |
5 |
21005 |
50.9 |
-0.1 |
0.729 |
0 |
0 |
0 |
0.000 |
59 |
|
B |
11 |
4 |
20689 |
◊ |
[ACT]A:608 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
184 |
46.7 |
-0.8 |
0.519 |
0 |
0 |
0 |
0.000 |
60 |
|
B |
4 |
2 |
20689 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
5 |
21005 |
46.7 |
1.1 |
0.577 |
0 |
0 |
0 |
0.000 |
61 |
|
[ACT]A:606 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20689 |
46.0 |
0.1 |
0.750 |
1 |
0 |
0 |
0.000 |
62 |
|
[ACT]B:604 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
20689 |
45.1 |
0.2 |
0.782 |
1 |
0 |
0 |
0.001 |
63 |
|
[GOL]A:627 |
4 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
21005 |
44.8 |
-0.1 |
0.537 |
0 |
0 |
0 |
0.000 |
64 |
|
[GOL]A:617 |
5 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
21005 |
44.6 |
0.1 |
0.619 |
1 |
0 |
0 |
0.000 |
65 |
|
[ACT]A:605 |
3 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
20689 |
44.6 |
-0.7 |
0.569 |
0 |
0 |
0 |
0.004 |
66 |
|
[L2M]A:629 |
5 |
1 |
555 |
f |
[ACT]A:607 |
x,y,z |
1_555 |
4 |
1 |
184 |
44.4 |
1.1 |
0.488 |
0 |
0 |
0 |
0.000 |
67 |
|
[GOL]B:607 |
6 |
1 |
218 |
◊ |
[ACT]A:608 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
184 |
43.9 |
-0.4 |
0.584 |
0 |
0 |
0 |
0.000 |
68 |
|
[GOL]A:627 |
4 |
1 |
218 |
f |
[GOL]A:624 |
x,y,z |
1_555 |
4 |
1 |
219 |
41.7 |
-0.5 |
0.501 |
0 |
0 |
0 |
0.002 |
69 |
|
B |
3 |
1 |
20689 |
◊ |
[GOL]A:627 |
x-1,y,z |
1_455 |
3 |
1 |
218 |
41.0 |
-0.4 |
0.341 |
0 |
0 |
0 |
0.000 |
70 |
|
[GOL]A:622 |
3 |
1 |
218 |
◊ |
[ACT]B:603 |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
183 |
39.7 |
0.5 |
0.810 |
1 |
0 |
0 |
0.000 |
71 |
|
B |
3 |
2 |
20689 |
f |
[ACT]A:604 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
183 |
39.4 |
0.7 |
0.802 |
1 |
0 |
0 |
0.000 |
72 |
|
[GOL]A:626 |
3 |
1 |
216 |
f |
[GOL]A:620 |
x,y,z |
1_555 |
2 |
1 |
214 |
34.4 |
0.1 |
0.555 |
0 |
0 |
0 |
0.000 |
73 |
|
B |
2 |
1 |
20689 |
◊ |
[ACT]A:610 |
x-1,y,z |
1_455 |
3 |
1 |
182 |
29.3 |
0.9 |
0.816 |
1 |
0 |
0 |
0.000 |
74 |
|
[SO4]B:612 |
4 |
1 |
184 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
21005 |
27.9 |
-1.9 |
0.984 |
1 |
0 |
0 |
0.000 |
75 |
|
[GOL]A:628 |
2 |
1 |
218 |
f |
[ACT]A:601 |
x,y,z |
1_555 |
2 |
1 |
183 |
24.6 |
-0.1 |
0.612 |
0 |
0 |
0 |
0.000 |
76 |
|
B |
3 |
2 |
20689 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
5 |
2 |
20689 |
20.8 |
0.0 |
0.541 |
0 |
0 |
0 |
0.000 |
77 |
|
[ACT]B:601 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
21005 |
19.7 |
0.3 |
0.753 |
0 |
0 |
0 |
0.000 |
78 |
|
[ACT]A:613 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20689 |
18.1 |
0.3 |
0.786 |
0 |
0 |
0 |
0.000 |
79 |
|
[GOL]A:620 |
1 |
1 |
214 |
f |
[GOL]A:619 |
x,y,z |
1_555 |
2 |
1 |
219 |
14.5 |
0.3 |
0.540 |
0 |
0 |
0 |
0.000 |
80 |
|
[GOL]A:626 |
2 |
1 |
216 |
f |
[ACT]A:607 |
x,y,z |
1_555 |
2 |
1 |
184 |
13.9 |
0.1 |
0.750 |
0 |
0 |
0 |
0.000 |
81 |
|
[L2M]A:629 |
2 |
1 |
555 |
f |
[GOL]A:626 |
x,y,z |
1_555 |
2 |
1 |
216 |
9.3 |
0.4 |
0.513 |
0 |
0 |
0 |
0.000 |
82 |
|
[ACT]A:612 |
3 |
1 |
182 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
21005 |
8.2 |
-0.1 |
0.392 |
0 |
0 |
0 |
0.000 |
83 |
|
[L2M]A:629 |
1 |
1 |
555 |
f |
[GOL]A:625 |
x,y,z |
1_555 |
1 |
1 |
218 |
6.6 |
0.3 |
0.537 |
0 |
0 |
0 |
0.000 |
84 |
|
[GOL]A:616 |
1 |
1 |
222 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
20689 |
6.4 |
-0.0 |
0.358 |
0 |
0 |
0 |
0.000 |
85 |
|
A |
2 |
2 |
21005 |
◊ |
[GOL]A:627 |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
218 |
4.7 |
0.1 |
0.627 |
0 |
0 |
0 |
0.000 |
86 |
|
[ACT]B:605 |
1 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
21005 |
2.5 |
0.1 |
0.611 |
0 |
0 |
0 |
0.000 |
87 |
|
[GOL]A:627 |
1 |
1 |
218 |
f |
[ACT]A:611 |
x,y,z |
1_555 |
1 |
1 |
183 |
1.5 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
|