| ## |
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 |
262 |
71 |
10132 |
◊ |
A |
x,y,z |
1_555 |
281 |
80 |
21012 |
2734.1 |
-44.8 |
0.226 |
25 |
4 |
0 |
0.419 |
2 |
|
[HAS]A:603 |
65 |
1 |
1351 |
f |
A |
x,y,z |
1_555 |
140 |
51 |
21012 |
950.3 |
-25.1 |
0.700 |
5 |
0 |
0 |
0.259 |
3 |
|
C |
91 |
20 |
3089 |
◊ |
A |
x,y,z |
1_555 |
108 |
32 |
21012 |
885.7 |
-19.6 |
0.279 |
8 |
0 |
0 |
0.220 |
4 |
|
C |
65 |
17 |
3089 |
◊ |
B |
x,y,z |
1_555 |
95 |
25 |
10132 |
730.4 |
-15.3 |
0.335 |
7 |
0 |
0 |
0.899 |
5 |
|
B |
69 |
21 |
10132 |
◊ |
B |
-x,y,-z+1 |
2_556 |
69 |
21 |
10132 |
620.2 |
-2.1 |
0.892 |
6 |
0 |
0 |
0.000 |
6 |
|
[HEM]A:602 |
43 |
1 |
832 |
f |
A |
x,y,z |
1_555 |
85 |
32 |
21012 |
587.1 |
-25.1 |
0.540 |
5 |
0 |
0 |
0.259 |
7 |
|
B |
57 |
15 |
10132 |
◊ |
B |
-x,y,-z |
2_555 |
57 |
15 |
10132 |
467.4 |
-11.1 |
0.144 |
0 |
0 |
0 |
0.000 |
8 |
|
[OLC]A:616 |
22 |
1 |
708 |
f |
A |
x,y,z |
1_555 |
42 |
14 |
21012 |
304.9 |
-0.9 |
0.448 |
0 |
0 |
0 |
0.009 |
9 |
|
[OLC]A:614 |
23 |
1 |
701 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
27 |
13 |
21012 |
232.3 |
-3.5 |
0.208 |
2 |
0 |
0 |
0.042 |
10 |
|
[OLC]A:608 |
19 |
1 |
654 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
21012 |
222.2 |
-1.5 |
0.126 |
0 |
0 |
0 |
0.015 |
11 |
|
[OLC]A:612 |
15 |
1 |
444 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
21012 |
209.5 |
1.0 |
0.320 |
2 |
0 |
0 |
0.000 |
12 |
|
[OLC]B:204 |
21 |
1 |
723 |
◊ |
B |
x,y,z |
1_555 |
29 |
5 |
10132 |
204.0 |
2.2 |
0.511 |
0 |
0 |
0 |
0.000 |
13 |
|
[OLC]A:606 |
19 |
1 |
714 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
29 |
9 |
21012 |
202.8 |
1.8 |
0.596 |
0 |
0 |
0 |
0.000 |
14 |
|
[OLC]A:605 |
19 |
1 |
713 |
◊ |
C |
x,y,z |
1_555 |
22 |
8 |
3089 |
199.3 |
1.5 |
0.692 |
0 |
0 |
0 |
0.000 |
15 |
|
A |
25 |
8 |
21012 |
◊ |
[OLC]A:615 |
-x+1/2,y-1/2,-z+1 |
4_546 |
19 |
1 |
612 |
188.2 |
0.2 |
0.398 |
2 |
0 |
0 |
0.000 |
16 |
|
[OLC]A:607 |
19 |
1 |
667 |
f |
A |
x,y,z |
1_555 |
31 |
10 |
21012 |
188.2 |
0.4 |
0.454 |
2 |
0 |
0 |
0.004 |
17 |
|
[OLC]B:202 |
17 |
1 |
738 |
◊ |
B |
-x,y,-z |
2_555 |
25 |
8 |
10132 |
185.6 |
-1.5 |
0.293 |
0 |
0 |
0 |
0.072 |
18 |
|
[OLC]A:605 |
14 |
1 |
713 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
21012 |
179.3 |
-3.3 |
0.352 |
0 |
0 |
0 |
0.031 |
19 |
|
[OLC]A:607 |
19 |
1 |
667 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
26 |
10 |
21012 |
178.8 |
-1.6 |
0.290 |
0 |
0 |
0 |
0.000 |
20 |
|
[OLC]A:613 |
17 |
1 |
585 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
21012 |
175.7 |
0.1 |
0.157 |
0 |
0 |
0 |
0.000 |
21 |
|
[OLC]A:615 |
16 |
1 |
612 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
21012 |
174.4 |
-1.4 |
0.314 |
0 |
0 |
0 |
0.002 |
22 |
|
[OLC]A:609 |
16 |
1 |
536 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
21012 |
172.3 |
2.6 |
0.424 |
0 |
0 |
0 |
0.000 |
23 |
|
[OLC]B:202 |
16 |
1 |
738 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
10132 |
164.7 |
0.7 |
0.385 |
0 |
0 |
0 |
0.000 |
24 |
|
[OLC]A:613 |
16 |
1 |
585 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
28 |
7 |
21012 |
163.4 |
0.6 |
0.445 |
0 |
0 |
0 |
0.000 |
25 |
|
[OLC]A:614 |
17 |
1 |
701 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
21012 |
154.6 |
-0.4 |
0.241 |
0 |
0 |
0 |
0.000 |
26 |
|
A |
22 |
8 |
21012 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
20 |
7 |
21012 |
154.4 |
-1.4 |
0.649 |
2 |
2 |
0 |
0.000 |
27 |
|
[OLC]B:203 |
13 |
1 |
727 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
21012 |
150.5 |
-2.2 |
0.363 |
0 |
0 |
0 |
0.017 |
28 |
|
B |
22 |
8 |
10132 |
◊ |
A |
-x,y,-z+1 |
2_556 |
18 |
6 |
21012 |
147.3 |
-0.8 |
0.656 |
0 |
0 |
0 |
0.000 |
29 |
|
[OLC]A:611 |
8 |
1 |
270 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
21012 |
138.0 |
0.6 |
0.675 |
1 |
0 |
0 |
0.000 |
30 |
|
[OLC]C:101 |
17 |
1 |
708 |
f |
[OLC]A:605 |
x,y,z |
1_555 |
16 |
1 |
713 |
137.4 |
3.1 |
0.496 |
0 |
0 |
0 |
0.000 |
31 |
|
[OLC]B:203 |
10 |
1 |
727 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
10132 |
136.7 |
-1.4 |
0.390 |
2 |
0 |
0 |
0.121 |
32 |
|
[OLC]B:204 |
13 |
1 |
723 |
◊ |
C |
x,y,z |
1_555 |
9 |
6 |
3089 |
134.7 |
-0.6 |
0.396 |
0 |
0 |
0 |
0.000 |
33 |
|
[OLC]A:614 |
16 |
1 |
701 |
◊ |
[OLC]A:606 |
x,y,z |
1_555 |
19 |
1 |
714 |
131.9 |
1.4 |
0.390 |
0 |
0 |
0 |
0.000 |
34 |
|
[OLC]A:606 |
11 |
1 |
714 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
21012 |
131.4 |
-3.7 |
0.169 |
0 |
0 |
0 |
0.035 |
35 |
|
[OLC]B:203 |
13 |
1 |
727 |
◊ |
[OLC]A:605 |
x,y,z |
1_555 |
11 |
1 |
713 |
119.6 |
0.7 |
0.381 |
0 |
0 |
0 |
0.000 |
36 |
|
[OLC]C:101 |
11 |
1 |
708 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
3089 |
114.9 |
-0.8 |
0.513 |
0 |
0 |
0 |
0.007 |
37 |
|
[OLC]A:608 |
11 |
1 |
654 |
◊ |
B |
x,y,z |
1_555 |
22 |
9 |
10132 |
114.1 |
3.0 |
0.583 |
0 |
0 |
0 |
0.000 |
38 |
|
[OLC]A:610 |
13 |
1 |
511 |
f |
A |
x,y,z |
1_555 |
20 |
3 |
21012 |
114.1 |
1.9 |
0.367 |
1 |
0 |
0 |
0.000 |
39 |
|
[OLC]A:616 |
14 |
1 |
708 |
◊ |
[OLC]A:609 |
-x+1/2,y-1/2,-z+1 |
4_546 |
14 |
1 |
536 |
112.7 |
1.1 |
0.231 |
0 |
0 |
0 |
0.000 |
40 |
|
[OLC]B:204 |
14 |
1 |
723 |
◊ |
[OLC]B:202 |
-x,y,-z |
2_555 |
14 |
1 |
738 |
111.4 |
3.2 |
0.502 |
0 |
0 |
0 |
0.000 |
41 |
|
A |
14 |
4 |
21012 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
13 |
3 |
21012 |
110.2 |
-2.5 |
0.437 |
0 |
0 |
0 |
0.000 |
42 |
|
[OLC]A:607 |
15 |
1 |
667 |
◊ |
[OLC]A:609 |
-x+1/2,y-1/2,-z+1 |
4_546 |
13 |
1 |
536 |
101.5 |
3.4 |
0.317 |
0 |
0 |
0 |
0.000 |
43 |
|
[OLC]A:613 |
13 |
1 |
585 |
◊ |
[OLC]A:610 |
-x+1/2,y-1/2,-z+1 |
4_546 |
11 |
1 |
511 |
99.5 |
4.8 |
0.308 |
0 |
0 |
0 |
0.000 |
44 |
|
[HAS]A:603 |
13 |
1 |
1351 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
3089 |
93.1 |
-1.8 |
0.454 |
0 |
0 |
0 |
0.017 |
45 |
|
A |
11 |
5 |
21012 |
◊ |
[OLC]A:610 |
-x+1/2,y-1/2,-z+1 |
4_546 |
12 |
1 |
511 |
90.2 |
0.4 |
0.171 |
0 |
0 |
0 |
0.000 |
46 |
|
[OLC]B:203 |
7 |
1 |
727 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
3089 |
87.4 |
3.0 |
0.864 |
0 |
0 |
0 |
0.000 |
47 |
|
A |
12 |
3 |
21012 |
◊ |
[OLC]A:609 |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
1 |
536 |
84.8 |
0.5 |
0.301 |
0 |
0 |
0 |
0.000 |
48 |
|
[OLC]C:101 |
7 |
1 |
708 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
21012 |
84.5 |
-2.7 |
0.288 |
0 |
0 |
0 |
0.025 |
49 |
|
[OLC]C:101 |
12 |
1 |
708 |
◊ |
[OLC]B:203 |
x,y,z |
1_555 |
10 |
1 |
727 |
82.2 |
1.4 |
0.377 |
0 |
0 |
0 |
0.000 |
50 |
|
[OLC]B:202 |
9 |
1 |
738 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
3089 |
77.0 |
-0.3 |
0.565 |
0 |
0 |
0 |
0.000 |
51 |
|
[OLC]B:202 |
8 |
1 |
738 |
◊ |
[OLC]B:202 |
-x,y,-z |
2_555 |
8 |
1 |
738 |
66.5 |
0.5 |
0.399 |
0 |
0 |
0 |
0.000 |
52 |
|
[OLC]A:614 |
7 |
1 |
701 |
◊ |
[OLC]A:613 |
x,y,z |
1_555 |
9 |
1 |
585 |
62.9 |
-0.9 |
0.235 |
1 |
0 |
0 |
0.000 |
53 |
|
[OLC]A:606 |
4 |
1 |
714 |
◊ |
[OLC]A:615 |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
1 |
612 |
55.8 |
-1.1 |
0.256 |
0 |
0 |
0 |
0.000 |
54 |
|
[OLC]A:614 |
6 |
1 |
701 |
◊ |
[OLC]A:607 |
x,y,z |
1_555 |
8 |
1 |
667 |
55.5 |
-1.2 |
0.251 |
0 |
0 |
0 |
0.000 |
55 |
|
[OLC]B:202 |
4 |
1 |
738 |
f |
C |
-x,y,-z |
2_555 |
5 |
2 |
3089 |
54.3 |
-1.7 |
0.360 |
0 |
0 |
0 |
0.100 |
56 |
|
[OLC]A:607 |
7 |
1 |
667 |
◊ |
[OLC]A:615 |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
612 |
47.7 |
1.1 |
0.429 |
0 |
0 |
0 |
0.000 |
57 |
|
[PEO]A:604 |
2 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
21012 |
47.1 |
0.5 |
0.880 |
0 |
0 |
0 |
0.000 |
58 |
|
[CU]A:601 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
21012 |
41.1 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.071 |
59 |
|
[OLC]A:611 |
3 |
1 |
270 |
f |
[OLC]A:612 |
x,y,z |
1_555 |
3 |
1 |
444 |
39.3 |
2.0 |
0.506 |
0 |
0 |
0 |
0.000 |
60 |
|
[PEO]A:604 |
2 |
1 |
125 |
f |
[HAS]A:603 |
x,y,z |
1_555 |
16 |
1 |
1351 |
36.8 |
-0.0 |
0.994 |
0 |
0 |
0 |
0.000 |
61 |
|
[OLC]A:614 |
3 |
1 |
701 |
◊ |
[OLC]A:615 |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
612 |
34.8 |
-1.1 |
0.265 |
0 |
0 |
0 |
0.001 |
62 |
|
[OLC]A:613 |
3 |
1 |
585 |
f |
[OLC]A:607 |
x,y,z |
1_555 |
5 |
1 |
667 |
33.2 |
-1.1 |
0.223 |
0 |
0 |
0 |
0.010 |
63 |
|
[OLC]A:616 |
3 |
1 |
708 |
f |
[OLC]A:613 |
x,y,z |
1_555 |
1 |
1 |
585 |
31.0 |
-1.0 |
0.238 |
0 |
0 |
0 |
0.009 |
64 |
|
[OLC]A:607 |
5 |
1 |
667 |
f |
[OLC]A:606 |
x,y,z |
1_555 |
5 |
1 |
714 |
30.6 |
0.0 |
0.370 |
0 |
0 |
0 |
0.000 |
65 |
|
[HAS]A:603 |
2 |
1 |
1351 |
f |
[HEM]A:602 |
x,y,z |
1_555 |
4 |
1 |
832 |
30.2 |
-1.6 |
0.466 |
0 |
0 |
0 |
0.016 |
66 |
|
[OLC]B:204 |
5 |
1 |
723 |
f |
B |
-x,y,-z |
2_555 |
4 |
1 |
10132 |
29.7 |
0.8 |
0.644 |
1 |
0 |
0 |
0.000 |
67 |
|
[OLC]C:101 |
2 |
1 |
708 |
f |
[OLC]A:616 |
x,y,z |
1_555 |
3 |
1 |
708 |
28.2 |
-0.7 |
0.315 |
0 |
0 |
0 |
0.007 |
68 |
|
[HAS]A:603 |
14 |
1 |
1351 |
f |
[CU]A:601 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.032 |
69 |
|
[OLC]A:616 |
3 |
1 |
708 |
f |
[OLC]A:607 |
x,y,z |
1_555 |
3 |
1 |
667 |
24.9 |
0.1 |
0.399 |
0 |
0 |
0 |
0.000 |
70 |
|
[PEO]A:604 |
2 |
1 |
125 |
f |
[CU]A:601 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.020 |
71 |
|
[OLC]A:616 |
3 |
1 |
708 |
f |
[OLC]A:605 |
x,y,z |
1_555 |
2 |
1 |
713 |
20.5 |
-0.7 |
0.311 |
0 |
0 |
0 |
0.006 |
72 |
|
[OLC]A:613 |
2 |
1 |
585 |
◊ |
[OLC]A:609 |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
536 |
11.5 |
-0.3 |
0.289 |
0 |
0 |
0 |
0.000 |
73 |
|
[OLC]A:616 |
2 |
1 |
708 |
f |
[HAS]A:603 |
x,y,z |
1_555 |
1 |
1 |
1351 |
11.1 |
0.2 |
0.516 |
0 |
0 |
0 |
0.000 |
74 |
|
[OLC]A:608 |
1 |
1 |
654 |
◊ |
[OLC]A:608 |
-x,y,-z |
2_555 |
1 |
1 |
654 |
7.0 |
-0.2 |
0.381 |
0 |
0 |
0 |
0.000 |
|