## |
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 |
489 |
123 |
21117 |
◊ |
A |
x,y,z |
1_555 |
495 |
123 |
20868 |
4910.4 |
-90.8 |
0.613 |
36 |
8 |
1 |
0.741 |
2 |
2 |
|
[Q6F]B:404 |
23 |
1 |
563 |
f |
B |
x,y,z |
1_555 |
67 |
23 |
21117 |
412.9 |
-13.8 |
0.668 |
4 |
0 |
0 |
0.206 |
3 |
|
[Q6F]A:403 |
23 |
1 |
565 |
f |
A |
x,y,z |
1_555 |
65 |
21 |
20868 |
402.9 |
-14.7 |
0.661 |
2 |
0 |
0 |
0.206 |
Average: |
407.9 |
-14.3 |
0.665 |
3 |
0 |
0 |
0.206 |
3 |
4 |
|
B |
38 |
13 |
21117 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
32 |
11 |
21117 |
355.2 |
-4.7 |
0.690 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
[D12]B:407 |
12 |
1 |
438 |
◊ |
B |
x,y,z |
1_555 |
34 |
14 |
21117 |
274.5 |
4.5 |
0.411 |
0 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
30 |
8 |
21117 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
22 |
8 |
20868 |
268.7 |
-1.4 |
0.845 |
1 |
3 |
0 |
0.000 |
6 |
7 |
|
A |
26 |
9 |
20868 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
29 |
11 |
21117 |
250.3 |
0.9 |
0.950 |
3 |
1 |
0 |
0.000 |
7 |
8 |
|
[UND]B:411 |
11 |
1 |
405 |
f |
B |
x,y,z |
1_555 |
32 |
8 |
21117 |
207.1 |
3.4 |
0.177 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
[OCT]A:410 |
8 |
1 |
325 |
f |
A |
x,y,z |
1_555 |
29 |
11 |
20868 |
205.2 |
5.9 |
0.217 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
A |
24 |
8 |
20868 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
21 |
5 |
20868 |
203.6 |
-4.8 |
0.424 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[R16]B:408 |
13 |
1 |
538 |
f |
B |
x,y,z |
1_555 |
33 |
11 |
21117 |
203.2 |
-4.8 |
0.768 |
0 |
0 |
0 |
0.032 |
11 |
12 |
|
[R16]B:410 |
14 |
1 |
537 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
21117 |
191.7 |
-6.6 |
0.363 |
0 |
0 |
0 |
0.044 |
12 |
13 |
|
A |
20 |
5 |
20868 |
x |
A |
x-1,y,z |
1_455 |
17 |
5 |
20868 |
172.5 |
-2.8 |
0.572 |
1 |
0 |
0 |
0.000 |
13 |
14 |
|
[D12]A:407 |
11 |
1 |
435 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
20868 |
165.7 |
1.4 |
0.148 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[D10]A:409 |
10 |
1 |
382 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
20868 |
151.6 |
3.1 |
0.770 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[R16]B:409 |
13 |
1 |
546 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
20868 |
143.3 |
-4.0 |
0.571 |
0 |
0 |
0 |
0.032 |
16 |
17 |
|
[D12]B:406 |
9 |
1 |
440 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
21117 |
137.0 |
0.1 |
0.127 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
[UND]B:412 |
11 |
1 |
408 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
21117 |
129.6 |
0.7 |
0.051 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[R16]B:410 |
14 |
1 |
537 |
◊ |
[R16]B:409 |
x,y,z |
1_555 |
11 |
1 |
546 |
107.8 |
-1.4 |
0.991 |
0 |
0 |
0 |
0.009 |
19 |
20 |
|
B |
14 |
6 |
21117 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
9 |
3 |
20868 |
106.7 |
-1.4 |
0.631 |
1 |
0 |
0 |
0.000 |
20 |
21 |
|
[R16]B:409 |
10 |
1 |
546 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
21117 |
104.0 |
-3.1 |
0.631 |
0 |
0 |
0 |
0.021 |
21 |
22 |
|
[LNK]B:413 |
5 |
1 |
243 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
21117 |
99.7 |
2.7 |
0.799 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
[OCT]A:411 |
6 |
1 |
317 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
20868 |
89.2 |
2.5 |
0.021 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
[R16]B:408 |
13 |
1 |
538 |
◊ |
[D12]B:406 |
x,y,z |
1_555 |
10 |
1 |
440 |
82.8 |
0.4 |
0.124 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
[D10]A:409 |
9 |
1 |
382 |
◊ |
[D12]A:407 |
x,y,z |
1_555 |
9 |
1 |
435 |
81.0 |
4.8 |
0.184 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[UND]A:408 |
8 |
1 |
409 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
20868 |
77.9 |
0.3 |
0.100 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[CD]B:401 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
21117 |
74.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.075 |
28 |
|
[CD]A:412 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
20868 |
51.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.075 |
Average: |
62.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.075 |
27 |
29 |
|
[LNK]B:414 |
5 |
1 |
241 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
21117 |
73.5 |
1.7 |
0.794 |
0 |
0 |
0 |
0.000 |
28 |
30 |
|
[LNK]B:415 |
5 |
1 |
242 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
21117 |
71.5 |
1.8 |
0.772 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
[D12]B:405 |
7 |
1 |
437 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
21117 |
70.3 |
-0.0 |
0.146 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[UND]B:412 |
5 |
1 |
408 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
20868 |
67.6 |
1.4 |
0.261 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
[K]A:401 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
10 |
7 |
20868 |
63.4 |
-40.3 |
0.000 |
0 |
0 |
0 |
0.175 |
34 |
|
[K]A:401 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
11 |
7 |
21117 |
63.3 |
-40.1 |
0.000 |
0 |
0 |
0 |
0.175 |
35 |
|
[K]A:404 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
14 |
8 |
21117 |
51.8 |
-33.8 |
0.000 |
0 |
0 |
0 |
0.175 |
Average: |
59.5 |
-38.1 |
0.000 |
0 |
0 |
0 |
0.175 |
32 |
36 |
|
[CD]B:403 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
21117 |
62.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.034 |
33 |
37 |
|
[LNK]B:413 |
4 |
1 |
243 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
20868 |
62.0 |
2.4 |
0.928 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[D12]B:406 |
8 |
1 |
440 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
20868 |
58.0 |
0.9 |
0.114 |
0 |
0 |
0 |
0.000 |
35 |
39 |
|
[K]A:405 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
21117 |
53.8 |
-34.8 |
0.000 |
0 |
0 |
0 |
0.261 |
40 |
|
[K]A:405 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
20868 |
53.2 |
-34.6 |
0.000 |
0 |
0 |
0 |
0.261 |
41 |
|
[K]A:404 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
13 |
8 |
20868 |
51.6 |
-33.8 |
0.000 |
0 |
0 |
0 |
0.261 |
42 |
|
[K]A:402 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
21117 |
51.0 |
-33.5 |
0.000 |
0 |
0 |
0 |
0.261 |
43 |
|
[K]A:402 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
20868 |
50.6 |
-33.4 |
0.000 |
0 |
0 |
0 |
0.261 |
Average: |
52.0 |
-34.0 |
0.000 |
0 |
0 |
0 |
0.261 |
36 |
44 |
|
[UND]A:408 |
6 |
1 |
409 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
21117 |
53.2 |
0.9 |
0.159 |
0 |
0 |
0 |
0.000 |
37 |
45 |
|
[OCT]A:411 |
4 |
1 |
317 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
21117 |
48.7 |
1.7 |
0.919 |
0 |
0 |
0 |
0.000 |
38 |
46 |
|
[R16]B:408 |
3 |
1 |
538 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
20868 |
46.8 |
-1.5 |
0.692 |
0 |
0 |
0 |
0.010 |
39 |
47 |
|
[CD]B:402 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
21117 |
42.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
|
[CD]B:402 |
1 |
1 |
112 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
2 |
20868 |
41.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
41.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
49 |
|
[D10]A:409 |
4 |
1 |
382 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
21117 |
41.3 |
0.8 |
0.655 |
0 |
0 |
0 |
0.000 |
41 |
50 |
|
[K]A:406 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
20868 |
38.3 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.073 |
51 |
|
[K]A:406 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
21117 |
37.1 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
37.7 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.073 |
42 |
52 |
|
[R16]B:408 |
4 |
1 |
538 |
◊ |
[UND]A:408 |
x,y,z |
1_555 |
5 |
1 |
409 |
36.8 |
0.6 |
0.209 |
0 |
0 |
0 |
0.000 |
43 |
53 |
|
[K]A:404 |
1 |
1 |
216 |
f |
[K]A:402 |
x,y,z |
1_555 |
1 |
1 |
216 |
36.0 |
-36.0 |
0.000 |
0 |
0 |
0 |
0.055 |
44 |
54 |
|
[R16]B:410 |
4 |
1 |
537 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
20868 |
36.0 |
-1.2 |
0.484 |
0 |
0 |
0 |
0.008 |
45 |
55 |
|
[K]A:404 |
1 |
1 |
216 |
f |
[K]A:401 |
x,y,z |
1_555 |
1 |
1 |
216 |
34.5 |
-34.5 |
0.000 |
0 |
0 |
0 |
0.053 |
46 |
56 |
|
[K]A:405 |
1 |
1 |
216 |
f |
[K]A:402 |
x,y,z |
1_555 |
1 |
1 |
216 |
34.4 |
-34.4 |
0.000 |
0 |
0 |
0 |
0.053 |
47 |
57 |
|
[UND]B:411 |
4 |
1 |
405 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
20868 |
34.2 |
0.6 |
0.131 |
0 |
0 |
0 |
0.000 |
48 |
58 |
|
[K]A:406 |
1 |
1 |
216 |
f |
[K]A:405 |
x,y,z |
1_555 |
1 |
1 |
216 |
33.4 |
-33.4 |
0.000 |
0 |
0 |
0 |
0.051 |
49 |
59 |
|
[LNK]B:414 |
3 |
1 |
241 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
20868 |
27.5 |
0.4 |
0.519 |
0 |
0 |
0 |
0.000 |
50 |
60 |
|
A |
3 |
1 |
20868 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
20868 |
25.9 |
0.5 |
0.880 |
0 |
0 |
0 |
0.000 |
51 |
61 |
|
[UND]A:408 |
3 |
1 |
409 |
f |
[D12]B:406 |
x,y,z |
1_555 |
4 |
1 |
440 |
22.7 |
1.5 |
0.119 |
0 |
0 |
0 |
0.000 |
52 |
62 |
|
[CD]A:412 |
1 |
1 |
112 |
f |
[Q6F]A:403 |
x,y,z |
1_555 |
1 |
1 |
565 |
20.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.017 |
63 |
|
[CD]B:401 |
1 |
1 |
112 |
f |
[Q6F]B:404 |
x,y,z |
1_555 |
2 |
1 |
563 |
7.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
13.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.017 |
53 |
64 |
|
[R16]B:408 |
2 |
1 |
538 |
f |
[D12]B:405 |
x,y,z |
1_555 |
6 |
1 |
437 |
18.4 |
0.3 |
0.194 |
0 |
0 |
0 |
0.000 |
54 |
65 |
|
[K]A:405 |
1 |
1 |
216 |
f |
[K]A:404 |
x,y,z |
1_555 |
1 |
1 |
216 |
15.4 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.024 |
55 |
66 |
|
[CD]B:403 |
1 |
1 |
112 |
f |
[UND]B:411 |
x,y,z |
1_555 |
2 |
1 |
405 |
15.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.008 |
56 |
67 |
|
[K]A:402 |
1 |
1 |
216 |
f |
[K]A:401 |
x,y,z |
1_555 |
1 |
1 |
216 |
14.9 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.023 |
57 |
68 |
|
A |
1 |
1 |
20868 |
f |
[OCT]A:411 |
x-1,y,z |
1_455 |
2 |
1 |
317 |
11.9 |
0.5 |
0.949 |
0 |
0 |
0 |
0.000 |
58 |
69 |
|
[CD]B:403 |
1 |
1 |
112 |
f |
[Q6F]B:404 |
x,y,z |
1_555 |
2 |
1 |
563 |
10.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.007 |
59 |
70 |
|
[CD]B:401 |
1 |
1 |
112 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
21117 |
9.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
60 |
71 |
|
[UND]B:411 |
3 |
1 |
405 |
f |
[Q6F]B:404 |
x,y,z |
1_555 |
2 |
1 |
563 |
8.9 |
0.3 |
0.124 |
0 |
0 |
0 |
0.000 |
61 |
72 |
|
[CD]A:412 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
21117 |
8.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
73 |
|
[CD]B:401 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20868 |
2.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
5.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
62 |
74 |
|
[OCT]A:411 |
1 |
1 |
317 |
f |
[D12]B:407 |
x,y,z |
1_555 |
1 |
1 |
438 |
5.8 |
0.1 |
0.408 |
0 |
0 |
0 |
0.000 |
63 |
75 |
|
B |
2 |
1 |
21117 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
20868 |
4.4 |
0.0 |
0.771 |
0 |
0 |
0 |
0.000 |
64 |
76 |
|
[R16]B:409 |
1 |
1 |
546 |
f |
[D12]B:406 |
x,y,z |
1_555 |
1 |
1 |
440 |
1.7 |
0.0 |
0.395 |
0 |
0 |
0 |
0.000 |
|