## |
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 |
|
C |
307 |
74 |
26415 |
◊ |
B |
x,y,z |
1_555 |
333 |
84 |
26614 |
3033.1 |
-34.7 |
0.079 |
40 |
10 |
0 |
0.843 |
2 |
|
C |
338 |
83 |
26415 |
◊ |
A |
x,y,z |
1_555 |
304 |
74 |
26558 |
3023.6 |
-35.0 |
0.072 |
40 |
9 |
0 |
0.843 |
3 |
|
B |
302 |
76 |
26614 |
◊ |
A |
x,y,z |
1_555 |
336 |
82 |
26558 |
3010.5 |
-35.4 |
0.065 |
40 |
10 |
0 |
0.843 |
Average: |
3022.4 |
-35.0 |
0.072 |
40 |
10 |
0 |
0.843 |
2 |
4 |
|
C |
34 |
10 |
26415 |
◊ |
B |
-x,y,-z-1/2 |
4_554 |
34 |
10 |
26614 |
281.8 |
-0.7 |
0.666 |
1 |
0 |
0 |
0.000 |
5 |
|
A |
33 |
10 |
26558 |
◊ |
A |
-x,y,-z-1/2 |
4_554 |
33 |
10 |
26558 |
276.1 |
-0.9 |
0.639 |
0 |
0 |
0 |
0.000 |
Average: |
278.9 |
-0.8 |
0.652 |
1 |
0 |
0 |
0.000 |
3 |
6 |
|
[C8E]C:502 |
18 |
1 |
635 |
◊ |
C |
x,y,z |
1_555 |
34 |
11 |
26415 |
258.6 |
0.7 |
0.207 |
0 |
0 |
0 |
0.000 |
4 |
7 |
|
[C8E]B:505 |
19 |
1 |
635 |
◊ |
B |
x,y,z |
1_555 |
33 |
11 |
26614 |
256.4 |
0.7 |
0.218 |
1 |
0 |
0 |
0.000 |
5 |
8 |
|
[C8E]A:1006 |
19 |
1 |
620 |
f |
A |
x,y,z |
1_555 |
34 |
11 |
26558 |
255.0 |
-2.0 |
0.155 |
0 |
0 |
0 |
0.010 |
6 |
9 |
|
[C8E]B:506 |
21 |
1 |
641 |
f |
B |
x,y,z |
1_555 |
27 |
9 |
26614 |
205.8 |
-3.2 |
0.110 |
2 |
0 |
0 |
0.021 |
7 |
10 |
|
[C8E]A:1007 |
20 |
1 |
637 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
26558 |
204.8 |
-2.6 |
0.099 |
3 |
0 |
0 |
0.021 |
8 |
11 |
|
[C8E]C:501 |
15 |
1 |
635 |
◊ |
C |
x,y,z |
1_555 |
34 |
10 |
26415 |
204.0 |
4.7 |
0.424 |
0 |
0 |
0 |
0.000 |
12 |
|
[C8E]B:504 |
14 |
1 |
636 |
◊ |
B |
x,y,z |
1_555 |
35 |
10 |
26614 |
199.1 |
5.0 |
0.461 |
0 |
0 |
0 |
0.000 |
Average: |
201.6 |
4.8 |
0.442 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
[C8E]A:1004 |
13 |
1 |
626 |
◊ |
A |
x,y,z |
1_555 |
34 |
10 |
26558 |
203.2 |
4.6 |
0.442 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
C |
24 |
9 |
26415 |
◊ |
A |
x,-y,-z |
3_555 |
19 |
5 |
26558 |
194.7 |
-2.8 |
0.294 |
2 |
1 |
0 |
0.019 |
11 |
15 |
|
[C8E]C:503 |
19 |
1 |
636 |
f |
C |
x,y,z |
1_555 |
23 |
8 |
26415 |
191.3 |
-2.9 |
0.091 |
2 |
0 |
0 |
0.051 |
12 |
16 |
|
B |
18 |
5 |
26614 |
x |
B |
x-1/2,-y+1/2,-z |
7_455 |
23 |
10 |
26614 |
186.5 |
-0.4 |
0.595 |
2 |
1 |
0 |
0.000 |
13 |
17 |
|
[C8E]B:502 |
12 |
1 |
631 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
26614 |
181.8 |
-2.4 |
0.210 |
2 |
0 |
0 |
0.017 |
14 |
18 |
|
[C8E]C:504 |
14 |
1 |
632 |
f |
C |
x,y,z |
1_555 |
24 |
9 |
26415 |
175.7 |
-1.6 |
0.233 |
1 |
0 |
0 |
0.027 |
15 |
19 |
|
[3PK]A:1008 |
14 |
1 |
468 |
◊ |
C |
x-1/2,-y+1/2,-z |
7_455 |
20 |
6 |
26415 |
165.1 |
-4.4 |
0.328 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
[3PK]C:507 |
9 |
1 |
439 |
cf |
C |
x,y,z |
1_555 |
14 |
5 |
26415 |
149.1 |
-5.1 |
0.100 |
0 |
0 |
0 |
0.069 |
17 |
21 |
|
[3PK]B:507 |
12 |
1 |
381 |
cf |
B |
x,y,z |
1_555 |
14 |
5 |
26614 |
146.1 |
-4.7 |
0.148 |
0 |
0 |
0 |
0.024 |
18 |
22 |
|
[C8E]C:501 |
13 |
1 |
635 |
f |
[C8E]A:1002 |
x,y,z |
1_555 |
14 |
1 |
627 |
141.2 |
4.0 |
0.324 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[C8E]C:504 |
10 |
1 |
632 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
26614 |
141.2 |
3.3 |
0.406 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[C8E]A:1005 |
15 |
1 |
619 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
26558 |
139.7 |
0.5 |
0.338 |
1 |
0 |
0 |
0.000 |
25 |
|
[C8E]A:1002 |
11 |
1 |
627 |
◊ |
C |
x,y,z |
1_555 |
18 |
5 |
26415 |
108.5 |
1.7 |
0.389 |
0 |
0 |
0 |
0.000 |
Average: |
124.1 |
1.1 |
0.364 |
1 |
0 |
0 |
0.000 |
21 |
26 |
|
[C8E]A:1005 |
16 |
1 |
619 |
f |
[C8E]A:1004 |
x,y,z |
1_555 |
11 |
1 |
626 |
135.3 |
4.5 |
0.396 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[C8E]B:502 |
11 |
1 |
631 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
26558 |
131.8 |
2.3 |
0.329 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
[3PK]A:1008 |
13 |
1 |
468 |
cf |
A |
x,y,z |
1_555 |
9 |
5 |
26558 |
127.6 |
-4.0 |
0.086 |
0 |
0 |
0 |
0.021 |
24 |
29 |
|
[C8E]A:1009 |
10 |
1 |
635 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
26415 |
126.2 |
3.0 |
0.381 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[C8E]C:506 |
15 |
1 |
621 |
f |
[C8E]B:504 |
x,y,z |
1_555 |
16 |
1 |
636 |
120.2 |
3.6 |
0.314 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[C8E]A:1009 |
9 |
1 |
635 |
◊ |
C |
x,-y,-z |
3_555 |
14 |
6 |
26415 |
119.9 |
-2.1 |
0.223 |
0 |
0 |
0 |
0.010 |
27 |
32 |
|
A |
19 |
9 |
26558 |
◊ |
C |
x-1/2,-y+1/2,-z |
7_455 |
13 |
3 |
26415 |
117.6 |
-0.6 |
0.582 |
1 |
0 |
0 |
0.000 |
28 |
33 |
|
[C8E]A:1009 |
13 |
1 |
635 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
26558 |
115.6 |
-1.0 |
0.269 |
0 |
0 |
0 |
0.005 |
29 |
34 |
|
[C8E]C:506 |
13 |
1 |
621 |
◊ |
B |
x,y,z |
1_555 |
17 |
4 |
26614 |
109.4 |
1.1 |
0.326 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[C8E]A:1009 |
11 |
1 |
635 |
f |
[C8E]A:1001 |
x,y,z |
1_555 |
10 |
1 |
621 |
108.0 |
2.0 |
0.308 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
[SO4]A:1003 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
26558 |
107.5 |
-17.8 |
0.674 |
7 |
0 |
0 |
0.108 |
32 |
37 |
|
[SO4]B:501 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
26614 |
105.7 |
-18.0 |
0.681 |
5 |
0 |
0 |
0.105 |
33 |
38 |
|
[C8E]B:503 |
11 |
1 |
629 |
◊ |
B |
x-1/2,-y+1/2,-z |
7_455 |
10 |
4 |
26614 |
100.8 |
-0.3 |
0.364 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[C8E]B:503 |
9 |
1 |
629 |
◊ |
[3PK]B:507 |
x-1/2,-y+1/2,-z |
7_455 |
11 |
1 |
381 |
90.6 |
1.1 |
0.707 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
[C8E]C:501 |
11 |
1 |
635 |
f |
A |
x,y,z |
1_555 |
13 |
2 |
26558 |
84.6 |
-0.1 |
0.361 |
2 |
0 |
0 |
0.004 |
41 |
|
[C8E]B:504 |
10 |
1 |
636 |
f |
C |
x,y,z |
1_555 |
13 |
2 |
26415 |
81.2 |
0.1 |
0.399 |
0 |
0 |
0 |
0.004 |
Average: |
82.9 |
0.0 |
0.380 |
1 |
0 |
0 |
0.004 |
36 |
42 |
|
[C8E]A:1006 |
5 |
1 |
620 |
◊ |
[C8E]A:1005 |
x,y,z |
1_555 |
11 |
1 |
619 |
84.0 |
2.9 |
0.410 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
[C8E]A:1004 |
9 |
1 |
626 |
f |
B |
x,y,z |
1_555 |
12 |
2 |
26614 |
83.3 |
-0.7 |
0.356 |
1 |
0 |
0 |
0.006 |
38 |
44 |
|
[C8E]A:1001 |
10 |
1 |
621 |
◊ |
C |
x,-y,-z |
3_555 |
8 |
3 |
26415 |
78.8 |
1.0 |
0.452 |
1 |
0 |
0 |
0.000 |
39 |
45 |
|
[C8E]C:502 |
6 |
1 |
635 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
26614 |
78.1 |
-2.3 |
0.202 |
0 |
0 |
0 |
0.012 |
40 |
46 |
|
[3PK]C:507 |
7 |
1 |
439 |
◊ |
A |
x,-y,-z |
3_555 |
14 |
5 |
26558 |
78.0 |
-2.0 |
0.573 |
0 |
0 |
0 |
0.010 |
41 |
47 |
|
B |
8 |
3 |
26614 |
◊ |
B |
-x,y,-z-1/2 |
4_554 |
8 |
3 |
26614 |
74.9 |
1.9 |
0.908 |
2 |
6 |
0 |
0.000 |
48 |
|
C |
6 |
2 |
26415 |
◊ |
A |
-x,y,-z-1/2 |
4_554 |
7 |
2 |
26558 |
72.6 |
2.2 |
0.935 |
2 |
6 |
0 |
0.000 |
Average: |
73.8 |
2.0 |
0.922 |
2 |
6 |
0 |
0.000 |
42 |
49 |
|
[C8E]B:505 |
6 |
1 |
635 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
26558 |
69.4 |
-0.9 |
0.304 |
0 |
0 |
0 |
0.005 |
43 |
50 |
|
[C8E]B:503 |
6 |
1 |
629 |
f |
[C8E]B:502 |
x,y,z |
1_555 |
8 |
1 |
631 |
68.5 |
2.0 |
0.368 |
0 |
0 |
0 |
0.000 |
44 |
51 |
|
[C8E]C:503 |
8 |
1 |
636 |
◊ |
[C8E]C:502 |
x,y,z |
1_555 |
12 |
1 |
635 |
68.1 |
2.4 |
0.321 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
[3PK]C:507 |
8 |
1 |
439 |
◊ |
C |
x,-y,-z |
3_555 |
8 |
3 |
26415 |
66.9 |
-1.8 |
0.546 |
0 |
0 |
0 |
0.009 |
46 |
53 |
|
[C8E]A:1005 |
6 |
1 |
619 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
26614 |
66.7 |
-0.5 |
0.356 |
0 |
0 |
0 |
0.005 |
54 |
|
[C8E]A:1002 |
6 |
1 |
627 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
26558 |
50.9 |
-0.4 |
0.376 |
0 |
0 |
0 |
0.005 |
Average: |
58.8 |
-0.4 |
0.366 |
0 |
0 |
0 |
0.005 |
47 |
55 |
|
[C8E]B:502 |
7 |
1 |
631 |
◊ |
B |
x-1/2,-y+1/2,-z |
7_455 |
6 |
2 |
26614 |
64.5 |
-1.0 |
0.239 |
0 |
0 |
0 |
0.000 |
48 |
56 |
|
[C8E]B:506 |
7 |
1 |
641 |
◊ |
[C8E]B:505 |
x,y,z |
1_555 |
11 |
1 |
635 |
62.3 |
1.8 |
0.307 |
0 |
0 |
0 |
0.000 |
49 |
57 |
|
[C8E]C:505 |
10 |
1 |
627 |
f |
[C8E]C:504 |
x,y,z |
1_555 |
8 |
1 |
632 |
59.1 |
1.5 |
0.279 |
0 |
0 |
0 |
0.000 |
50 |
58 |
|
[C8E]B:503 |
8 |
1 |
629 |
f |
[C8E]A:1004 |
x,y,z |
1_555 |
6 |
1 |
626 |
57.8 |
-1.4 |
0.193 |
0 |
0 |
0 |
0.007 |
51 |
59 |
|
[3PK]C:507 |
4 |
1 |
439 |
◊ |
[C8E]A:1009 |
x,-y,-z |
3_555 |
8 |
1 |
635 |
57.4 |
0.0 |
0.483 |
0 |
0 |
0 |
0.000 |
52 |
60 |
|
[C8E]A:1007 |
8 |
1 |
637 |
f |
[C8E]A:1006 |
x,y,z |
1_555 |
9 |
1 |
620 |
54.1 |
1.2 |
0.279 |
0 |
0 |
0 |
0.000 |
53 |
61 |
|
[C8E]C:501 |
5 |
1 |
635 |
f |
[C8E]A:1001 |
x,y,z |
1_555 |
7 |
1 |
621 |
52.7 |
-1.6 |
0.180 |
0 |
0 |
0 |
0.008 |
54 |
62 |
|
[C8E]C:506 |
7 |
1 |
621 |
◊ |
[C8E]B:505 |
x,y,z |
1_555 |
2 |
1 |
635 |
52.6 |
2.7 |
0.562 |
0 |
0 |
0 |
0.000 |
55 |
63 |
|
[3PK]A:1008 |
5 |
1 |
468 |
◊ |
[C8E]C:503 |
x-1/2,-y+1/2,-z |
7_455 |
5 |
1 |
636 |
52.2 |
0.8 |
0.663 |
0 |
0 |
0 |
0.000 |
56 |
64 |
|
[C8E]C:505 |
6 |
1 |
627 |
f |
[C8E]B:504 |
x,y,z |
1_555 |
6 |
1 |
636 |
48.0 |
-1.7 |
0.169 |
0 |
0 |
0 |
0.023 |
57 |
65 |
|
[C8E]A:1001 |
6 |
1 |
621 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
26558 |
40.1 |
-0.0 |
0.440 |
1 |
0 |
0 |
0.003 |
58 |
66 |
|
[C8E]A:1006 |
3 |
1 |
620 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
26415 |
39.9 |
-1.9 |
0.234 |
0 |
0 |
0 |
0.010 |
59 |
67 |
|
[C8E]C:506 |
5 |
1 |
621 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
26415 |
39.0 |
-0.1 |
0.445 |
0 |
0 |
0 |
0.000 |
60 |
68 |
|
[C8E]C:505 |
5 |
1 |
627 |
f |
C |
x,y,z |
1_555 |
5 |
1 |
26415 |
38.2 |
0.5 |
0.482 |
1 |
0 |
0 |
0.000 |
61 |
69 |
|
[C8E]C:502 |
2 |
1 |
635 |
◊ |
[C8E]A:1002 |
x,y,z |
1_555 |
7 |
1 |
627 |
37.8 |
2.4 |
0.534 |
0 |
0 |
0 |
0.000 |
62 |
70 |
|
[C8E]B:506 |
2 |
1 |
641 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
26415 |
35.8 |
-1.1 |
0.267 |
1 |
0 |
0 |
0.008 |
63 |
71 |
|
[C8E]B:502 |
10 |
1 |
631 |
◊ |
[3PK]B:507 |
x-1/2,-y+1/2,-z |
7_455 |
5 |
1 |
381 |
35.7 |
0.1 |
0.450 |
0 |
0 |
0 |
0.000 |
64 |
72 |
|
[C8E]B:503 |
4 |
1 |
629 |
f |
B |
x,y,z |
1_555 |
5 |
1 |
26614 |
33.3 |
-0.3 |
0.431 |
0 |
0 |
0 |
0.002 |
65 |
73 |
|
[3PK]B:507 |
3 |
1 |
381 |
◊ |
[C8E]C:504 |
x,y,z |
1_555 |
2 |
1 |
632 |
29.5 |
0.5 |
0.651 |
0 |
0 |
0 |
0.000 |
66 |
74 |
|
[C8E]A:1001 |
1 |
1 |
621 |
◊ |
[C8E]A:1001 |
x,-y,-z |
3_555 |
1 |
1 |
621 |
27.3 |
1.8 |
0.619 |
0 |
0 |
0 |
0.000 |
67 |
75 |
|
[C8E]A:1007 |
2 |
1 |
637 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
26614 |
22.9 |
-1.0 |
0.343 |
0 |
0 |
0 |
0.009 |
76 |
|
[C8E]C:503 |
2 |
1 |
636 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
26558 |
16.5 |
-0.7 |
0.384 |
0 |
0 |
0 |
0.009 |
Average: |
19.7 |
-0.8 |
0.364 |
0 |
0 |
0 |
0.009 |
68 |
77 |
|
[3PK]C:507 |
2 |
1 |
439 |
◊ |
[3PK]C:507 |
x,-y,-z |
3_555 |
2 |
1 |
439 |
21.9 |
-0.7 |
0.751 |
0 |
0 |
0 |
0.002 |
69 |
78 |
|
[C8E]B:505 |
3 |
1 |
635 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
26415 |
18.6 |
1.3 |
0.677 |
0 |
0 |
0 |
0.000 |
70 |
79 |
|
[C8E]A:1006 |
3 |
1 |
620 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
26614 |
16.3 |
1.1 |
0.639 |
0 |
0 |
0 |
0.000 |
71 |
80 |
|
[C8E]C:502 |
2 |
1 |
635 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
26558 |
15.6 |
1.1 |
0.720 |
0 |
0 |
0 |
0.000 |
72 |
81 |
|
[3PK]A:1008 |
1 |
1 |
468 |
◊ |
[C8E]C:502 |
x-1/2,-y+1/2,-z |
7_455 |
2 |
1 |
635 |
12.5 |
-0.3 |
0.420 |
0 |
0 |
0 |
0.000 |
73 |
82 |
|
[C8E]B:503 |
1 |
1 |
629 |
◊ |
[C8E]C:505 |
x-1/2,-y+1/2,-z |
7_455 |
2 |
1 |
627 |
9.7 |
0.6 |
0.469 |
0 |
0 |
0 |
0.000 |
74 |
83 |
|
[C8E]A:1009 |
2 |
1 |
635 |
◊ |
[C8E]A:1001 |
x,-y,-z |
3_555 |
1 |
1 |
621 |
8.7 |
0.6 |
0.429 |
0 |
0 |
0 |
0.000 |
75 |
84 |
|
A |
4 |
2 |
26558 |
◊ |
[C8E]C:504 |
x-1/2,-y+1/2,-z |
7_455 |
1 |
1 |
632 |
7.5 |
-0.1 |
0.508 |
0 |
0 |
0 |
0.000 |
76 |
85 |
|
[C8E]B:502 |
1 |
1 |
631 |
f |
[C8E]A:1004 |
x,y,z |
1_555 |
1 |
1 |
626 |
3.2 |
-0.1 |
0.381 |
0 |
0 |
0 |
0.000 |
77 |
86 |
|
[3PK]A:1008 |
1 |
1 |
468 |
◊ |
B |
x-1/2,-y+1/2,-z |
7_455 |
1 |
1 |
26614 |
1.7 |
-0.1 |
0.605 |
0 |
0 |
0 |
0.000 |
78 |
87 |
|
[SO4]B:501 |
1 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
26415 |
0.9 |
-0.1 |
0.727 |
0 |
0 |
0 |
0.000 |
79 |
88 |
|
[C8E]B:503 |
1 |
1 |
629 |
◊ |
[C8E]C:504 |
x-1/2,-y+1/2,-z |
7_455 |
1 |
1 |
632 |
0.6 |
0.0 |
0.381 |
0 |
0 |
0 |
0.000 |
|