| ## |
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 |
259 |
72 |
9958 |
◊ |
A |
x,y,z |
1_555 |
291 |
80 |
20323 |
2752.4 |
-44.1 |
0.291 |
29 |
8 |
0 |
0.424 |
2 |
|
[HAS]A:603 |
65 |
1 |
1354 |
f |
A |
x,y,z |
1_555 |
137 |
50 |
20323 |
945.7 |
-25.0 |
0.720 |
5 |
0 |
0 |
0.262 |
3 |
|
C |
95 |
20 |
3078 |
◊ |
A |
x,y,z |
1_555 |
103 |
33 |
20323 |
862.9 |
-21.4 |
0.197 |
6 |
0 |
0 |
0.232 |
4 |
|
C |
69 |
16 |
3078 |
◊ |
B |
x,y,z |
1_555 |
90 |
24 |
9958 |
731.1 |
-15.3 |
0.289 |
4 |
0 |
0 |
0.981 |
5 |
|
B |
70 |
21 |
9958 |
◊ |
B |
-x,y,-z-1 |
2_554 |
70 |
21 |
9958 |
670.8 |
-2.0 |
0.907 |
10 |
0 |
0 |
0.000 |
6 |
|
[HEM]A:602 |
43 |
1 |
824 |
f |
A |
x,y,z |
1_555 |
83 |
33 |
20323 |
596.6 |
-25.1 |
0.534 |
5 |
0 |
0 |
0.263 |
7 |
|
B |
56 |
15 |
9958 |
◊ |
B |
-x,y,-z |
2_555 |
55 |
15 |
9958 |
456.8 |
-11.0 |
0.126 |
0 |
0 |
0 |
0.000 |
8 |
|
[OLC]A:616 |
22 |
1 |
703 |
f |
A |
x,y,z |
1_555 |
36 |
14 |
20323 |
301.3 |
-1.3 |
0.383 |
1 |
0 |
0 |
0.017 |
9 |
|
[OLC]A:614 |
20 |
1 |
698 |
f |
A |
-x-1/2,y-1/2,-z-1 |
4_444 |
28 |
13 |
20323 |
230.9 |
-3.5 |
0.232 |
2 |
0 |
0 |
0.042 |
10 |
|
[OLC]A:612 |
15 |
1 |
449 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
20323 |
220.0 |
3.0 |
0.428 |
1 |
0 |
0 |
0.000 |
11 |
|
[OLC]A:608 |
19 |
1 |
637 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
20323 |
214.8 |
-1.5 |
0.132 |
0 |
0 |
0 |
0.014 |
12 |
|
[OLC]B:204 |
21 |
1 |
709 |
◊ |
B |
x,y,z |
1_555 |
29 |
5 |
9958 |
200.9 |
1.5 |
0.481 |
0 |
0 |
0 |
0.000 |
13 |
|
[OLC]A:605 |
20 |
1 |
706 |
◊ |
C |
x,y,z |
1_555 |
23 |
7 |
3078 |
195.3 |
1.4 |
0.702 |
0 |
0 |
0 |
0.000 |
14 |
|
[OLC]A:606 |
19 |
1 |
705 |
◊ |
A |
-x-1/2,y-1/2,-z-1 |
4_444 |
27 |
8 |
20323 |
193.0 |
1.9 |
0.614 |
1 |
0 |
0 |
0.000 |
15 |
|
[OLC]A:607 |
20 |
1 |
662 |
f |
A |
x,y,z |
1_555 |
32 |
10 |
20323 |
190.3 |
-0.0 |
0.476 |
2 |
0 |
0 |
0.009 |
16 |
|
A |
23 |
8 |
20323 |
◊ |
[OLC]A:615 |
-x-1/2,y-1/2,-z-1 |
4_444 |
19 |
1 |
600 |
190.0 |
0.5 |
0.392 |
1 |
0 |
0 |
0.000 |
17 |
|
[OLC]A:607 |
20 |
1 |
662 |
◊ |
A |
-x-1/2,y-1/2,-z-1 |
4_444 |
27 |
10 |
20323 |
183.8 |
-1.4 |
0.323 |
0 |
0 |
0 |
0.000 |
18 |
|
[OLC]A:605 |
14 |
1 |
706 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
20323 |
181.9 |
-3.7 |
0.285 |
0 |
0 |
0 |
0.035 |
19 |
|
[OLC]B:202 |
16 |
1 |
720 |
f |
B |
-x,y,-z |
2_555 |
24 |
8 |
9958 |
179.7 |
-1.6 |
0.291 |
0 |
0 |
0 |
0.093 |
20 |
|
[OLC]A:609 |
15 |
1 |
533 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
20323 |
175.5 |
3.4 |
0.505 |
0 |
0 |
0 |
0.000 |
21 |
|
[OLC]B:202 |
17 |
1 |
720 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
9958 |
169.7 |
0.7 |
0.333 |
0 |
0 |
0 |
0.000 |
22 |
|
[OLC]A:613 |
19 |
1 |
567 |
◊ |
A |
-x-1/2,y-1/2,-z-1 |
4_444 |
30 |
7 |
20323 |
165.2 |
0.3 |
0.437 |
1 |
0 |
0 |
0.000 |
23 |
|
[OLC]A:613 |
17 |
1 |
567 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
20323 |
165.2 |
0.3 |
0.202 |
0 |
0 |
0 |
0.000 |
24 |
|
[OLC]A:615 |
14 |
1 |
600 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
20323 |
165.0 |
-0.9 |
0.368 |
0 |
0 |
0 |
0.000 |
25 |
|
[OLC]B:203 |
14 |
1 |
715 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
20323 |
160.7 |
-1.5 |
0.468 |
0 |
0 |
0 |
0.011 |
26 |
|
B |
21 |
9 |
9958 |
◊ |
A |
-x,y,-z-1 |
2_554 |
17 |
6 |
20323 |
151.6 |
-0.9 |
0.656 |
1 |
0 |
0 |
0.000 |
27 |
|
[OLC]C:101 |
17 |
1 |
696 |
f |
[OLC]A:605 |
x,y,z |
1_555 |
19 |
1 |
706 |
149.6 |
3.2 |
0.501 |
0 |
0 |
0 |
0.000 |
28 |
|
[OLC]A:614 |
15 |
1 |
698 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
20323 |
147.8 |
-0.4 |
0.256 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
20 |
6 |
20323 |
x |
A |
-x-1/2,y-1/2,-z-1 |
4_444 |
16 |
5 |
20323 |
147.5 |
-1.1 |
0.613 |
3 |
2 |
0 |
0.000 |
30 |
|
[OLC]B:204 |
14 |
1 |
709 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
3078 |
142.5 |
-0.5 |
0.443 |
0 |
0 |
0 |
0.100 |
31 |
|
[OLC]A:614 |
17 |
1 |
698 |
◊ |
[OLC]A:606 |
x,y,z |
1_555 |
18 |
1 |
705 |
141.2 |
1.4 |
0.413 |
1 |
0 |
0 |
0.000 |
32 |
|
[OLC]A:606 |
11 |
1 |
705 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
20323 |
139.9 |
-3.7 |
0.200 |
0 |
0 |
0 |
0.035 |
33 |
|
[OLC]A:611 |
8 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
20 |
4 |
20323 |
134.3 |
-0.1 |
0.656 |
2 |
0 |
0 |
0.010 |
34 |
|
[OLC]B:203 |
11 |
1 |
715 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
9958 |
132.3 |
-0.7 |
0.482 |
2 |
0 |
0 |
0.093 |
35 |
|
[OLC]B:204 |
14 |
1 |
709 |
◊ |
[OLC]B:202 |
-x,y,-z |
2_555 |
14 |
1 |
720 |
128.5 |
1.0 |
0.393 |
1 |
0 |
0 |
0.000 |
36 |
|
[OLC]A:608 |
11 |
1 |
637 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
9958 |
119.1 |
2.8 |
0.543 |
0 |
0 |
0 |
0.000 |
37 |
|
[OLC]A:613 |
10 |
1 |
567 |
◊ |
[OLC]A:610 |
-x-1/2,y-1/2,-z-1 |
4_444 |
14 |
1 |
512 |
117.5 |
4.8 |
0.243 |
0 |
0 |
0 |
0.000 |
38 |
|
[OLC]B:203 |
13 |
1 |
715 |
◊ |
[OLC]A:605 |
x,y,z |
1_555 |
13 |
1 |
706 |
115.8 |
0.4 |
0.394 |
0 |
0 |
0 |
0.000 |
39 |
|
[OLC]A:610 |
13 |
1 |
512 |
f |
A |
x,y,z |
1_555 |
18 |
3 |
20323 |
113.3 |
2.0 |
0.326 |
1 |
0 |
0 |
0.000 |
40 |
|
[OLC]C:101 |
11 |
1 |
696 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
3078 |
111.9 |
-0.8 |
0.508 |
0 |
0 |
0 |
0.008 |
41 |
|
[OLC]A:616 |
15 |
1 |
703 |
◊ |
[OLC]A:609 |
-x-1/2,y-1/2,-z-1 |
4_444 |
15 |
1 |
533 |
110.3 |
1.4 |
0.234 |
0 |
0 |
0 |
0.000 |
42 |
|
[OLC]C:101 |
10 |
1 |
696 |
◊ |
[OLC]B:203 |
x,y,z |
1_555 |
11 |
1 |
715 |
101.6 |
0.0 |
0.360 |
0 |
0 |
0 |
0.000 |
43 |
|
[OLC]A:607 |
13 |
1 |
662 |
◊ |
[OLC]A:609 |
-x-1/2,y-1/2,-z-1 |
4_444 |
10 |
1 |
533 |
96.8 |
3.2 |
0.366 |
0 |
0 |
0 |
0.000 |
44 |
|
[HAS]A:603 |
14 |
1 |
1354 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
3078 |
96.4 |
-2.4 |
0.397 |
0 |
0 |
0 |
0.023 |
45 |
|
A |
9 |
5 |
20323 |
◊ |
[OLC]A:610 |
-x-1/2,y-1/2,-z-1 |
4_444 |
11 |
1 |
512 |
93.2 |
-0.0 |
0.124 |
0 |
0 |
0 |
0.000 |
46 |
|
[OLC]B:203 |
8 |
1 |
715 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
3078 |
87.5 |
2.8 |
0.855 |
0 |
0 |
0 |
0.000 |
47 |
|
[OLC]C:101 |
7 |
1 |
696 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
20323 |
83.1 |
-2.7 |
0.278 |
0 |
0 |
0 |
0.026 |
48 |
|
[OLC]B:202 |
10 |
1 |
720 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
3078 |
81.3 |
-0.2 |
0.581 |
0 |
0 |
0 |
0.000 |
49 |
|
A |
11 |
3 |
20323 |
◊ |
[OLC]A:609 |
-x-1/2,y-1/2,-z-1 |
4_444 |
8 |
1 |
533 |
80.7 |
0.3 |
0.285 |
0 |
0 |
0 |
0.000 |
50 |
|
[OLC]A:614 |
7 |
1 |
698 |
◊ |
[OLC]A:613 |
x,y,z |
1_555 |
7 |
1 |
567 |
62.1 |
-0.1 |
0.309 |
1 |
0 |
0 |
0.000 |
51 |
|
[OLC]A:614 |
6 |
1 |
698 |
◊ |
[OLC]A:607 |
x,y,z |
1_555 |
7 |
1 |
662 |
58.9 |
-1.2 |
0.263 |
0 |
0 |
0 |
0.000 |
52 |
|
[OLC]B:202 |
5 |
1 |
720 |
◊ |
[OLC]B:202 |
-x,y,-z |
2_555 |
5 |
1 |
720 |
56.0 |
-0.3 |
0.360 |
0 |
0 |
0 |
0.000 |
53 |
|
[PEO]A:604 |
2 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
20323 |
45.7 |
0.5 |
0.851 |
0 |
0 |
0 |
0.000 |
54 |
|
[OLC]A:607 |
4 |
1 |
662 |
◊ |
[OLC]A:615 |
-x-1/2,y-1/2,-z-1 |
4_444 |
4 |
1 |
600 |
45.1 |
1.2 |
0.485 |
0 |
0 |
0 |
0.000 |
55 |
|
[OLC]B:202 |
4 |
1 |
720 |
◊ |
C |
-x,y,-z |
2_555 |
5 |
2 |
3078 |
44.5 |
-1.4 |
0.399 |
0 |
0 |
0 |
0.082 |
56 |
|
[OLC]A:606 |
5 |
1 |
705 |
◊ |
[OLC]A:615 |
-x-1/2,y-1/2,-z-1 |
4_444 |
4 |
1 |
600 |
42.1 |
-1.2 |
0.282 |
0 |
0 |
0 |
0.000 |
57 |
|
[OLC]A:611 |
4 |
1 |
267 |
f |
[OLC]A:612 |
x,y,z |
1_555 |
2 |
1 |
449 |
41.8 |
2.1 |
0.567 |
0 |
0 |
0 |
0.000 |
58 |
|
[CU]A:601 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
20323 |
40.9 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.072 |
59 |
|
[PEO]A:604 |
2 |
1 |
125 |
f |
[HAS]A:603 |
x,y,z |
1_555 |
18 |
1 |
1354 |
35.4 |
-0.2 |
0.995 |
0 |
0 |
0 |
0.002 |
60 |
|
[OLC]A:607 |
5 |
1 |
662 |
f |
[OLC]A:606 |
x,y,z |
1_555 |
5 |
1 |
705 |
31.0 |
-0.1 |
0.368 |
0 |
0 |
0 |
0.000 |
61 |
|
[OLC]B:204 |
4 |
1 |
709 |
◊ |
B |
-x,y,-z |
2_555 |
3 |
1 |
9958 |
30.0 |
0.7 |
0.637 |
1 |
0 |
0 |
0.000 |
62 |
|
[OLC]A:614 |
2 |
1 |
698 |
◊ |
[OLC]A:615 |
-x-1/2,y-1/2,-z-1 |
4_444 |
1 |
1 |
600 |
28.2 |
-0.9 |
0.267 |
0 |
0 |
0 |
0.000 |
63 |
|
[HAS]A:603 |
2 |
1 |
1354 |
f |
[HEM]A:602 |
x,y,z |
1_555 |
4 |
1 |
824 |
28.1 |
-1.6 |
0.484 |
0 |
0 |
0 |
0.015 |
64 |
|
[OLC]A:613 |
3 |
1 |
567 |
f |
[OLC]A:607 |
x,y,z |
1_555 |
5 |
1 |
662 |
27.6 |
-0.9 |
0.254 |
0 |
0 |
0 |
0.009 |
65 |
|
[HAS]A:603 |
16 |
1 |
1354 |
f |
[CU]A:601 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.034 |
66 |
|
[OLC]A:616 |
3 |
1 |
703 |
f |
[OLC]A:607 |
x,y,z |
1_555 |
3 |
1 |
662 |
25.9 |
0.5 |
0.452 |
0 |
0 |
0 |
0.000 |
67 |
|
[PEO]A:604 |
2 |
1 |
125 |
f |
[CU]A:601 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.021 |
68 |
|
[OLC]A:616 |
2 |
1 |
703 |
f |
[OLC]A:613 |
x,y,z |
1_555 |
1 |
1 |
567 |
22.3 |
-0.7 |
0.257 |
0 |
0 |
0 |
0.007 |
69 |
|
[OLC]C:101 |
2 |
1 |
696 |
f |
[OLC]A:616 |
x,y,z |
1_555 |
2 |
1 |
703 |
14.3 |
-0.5 |
0.331 |
0 |
0 |
0 |
0.004 |
70 |
|
[OLC]A:616 |
4 |
1 |
703 |
f |
[OLC]A:605 |
x,y,z |
1_555 |
2 |
1 |
706 |
13.0 |
-0.4 |
0.357 |
0 |
0 |
0 |
0.004 |
71 |
|
[OLC]A:616 |
2 |
1 |
703 |
f |
[HAS]A:603 |
x,y,z |
1_555 |
2 |
1 |
1354 |
5.2 |
0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
72 |
|
[OLC]A:608 |
1 |
1 |
637 |
◊ |
[OLC]A:608 |
-x,y,-z |
2_555 |
1 |
1 |
637 |
3.6 |
-0.1 |
0.381 |
0 |
0 |
0 |
0.000 |
73 |
|
[OLC]A:606 |
1 |
1 |
705 |
◊ |
[OLC]A:611 |
-x-1/2,y-1/2,-z-1 |
4_444 |
1 |
1 |
267 |
1.2 |
0.1 |
0.469 |
0 |
0 |
0 |
0.000 |
|