## |
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 |
488 |
125 |
21120 |
◊ |
A |
x,y,z |
1_555 |
494 |
124 |
20947 |
4920.9 |
-92.2 |
0.597 |
38 |
8 |
1 |
0.534 |
2 |
2 |
|
[Q6F]B:404 |
23 |
1 |
559 |
f |
B |
x,y,z |
1_555 |
67 |
24 |
21120 |
407.3 |
-13.9 |
0.674 |
3 |
0 |
0 |
0.142 |
3 |
|
[Q6F]A:401 |
23 |
1 |
549 |
f |
A |
x,y,z |
1_555 |
64 |
22 |
20947 |
399.4 |
-13.8 |
0.675 |
3 |
0 |
0 |
0.142 |
Average: |
403.4 |
-13.8 |
0.675 |
3 |
0 |
0 |
0.142 |
3 |
4 |
|
B |
35 |
13 |
21120 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
33 |
11 |
21120 |
331.1 |
-5.2 |
0.639 |
1 |
1 |
0 |
0.000 |
4 |
5 |
|
A |
30 |
10 |
20947 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
30 |
13 |
21120 |
276.8 |
1.7 |
0.968 |
3 |
2 |
0 |
0.000 |
5 |
6 |
|
[D12]A:404 |
12 |
1 |
425 |
f |
A |
x,y,z |
1_555 |
35 |
14 |
20947 |
252.2 |
5.3 |
0.488 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
26 |
8 |
21120 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
21 |
7 |
20947 |
246.6 |
-1.0 |
0.816 |
2 |
4 |
0 |
0.000 |
7 |
8 |
|
[R16]B:411 |
12 |
1 |
539 |
f |
B |
x,y,z |
1_555 |
27 |
10 |
21120 |
218.8 |
-6.2 |
0.684 |
0 |
0 |
0 |
0.029 |
8 |
9 |
|
[D10]B:406 |
10 |
1 |
368 |
◊ |
B |
x,y,z |
1_555 |
26 |
11 |
21120 |
213.1 |
4.9 |
0.003 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
A |
24 |
8 |
20947 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
20 |
5 |
20947 |
205.6 |
-5.0 |
0.392 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
A |
18 |
5 |
20947 |
x |
A |
x-1,y,z |
1_455 |
17 |
5 |
20947 |
168.1 |
-2.8 |
0.566 |
3 |
0 |
0 |
0.000 |
11 |
12 |
|
[OCT]B:408 |
8 |
1 |
317 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
21120 |
167.0 |
4.7 |
0.023 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
[R16]B:410 |
12 |
1 |
521 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
21120 |
159.6 |
-5.9 |
0.246 |
0 |
0 |
0 |
0.028 |
13 |
14 |
|
[D12]B:405 |
9 |
1 |
429 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
21120 |
153.9 |
0.6 |
0.153 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[LNK]A:406 |
5 |
1 |
240 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
20947 |
113.0 |
2.5 |
0.785 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[D10]A:405 |
7 |
1 |
368 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
20947 |
108.0 |
2.1 |
0.743 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[UND]A:414 |
9 |
1 |
391 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
20947 |
107.1 |
1.1 |
0.079 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
B |
13 |
6 |
21120 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
10 |
3 |
20947 |
103.6 |
-1.7 |
0.604 |
1 |
0 |
0 |
0.000 |
18 |
19 |
|
[R16]B:411 |
11 |
1 |
539 |
f |
[D12]B:405 |
x,y,z |
1_555 |
10 |
1 |
429 |
91.8 |
0.8 |
0.157 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
[D12]A:403 |
7 |
1 |
427 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
21120 |
89.3 |
0.4 |
0.133 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[D12]A:403 |
7 |
1 |
427 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
20947 |
86.0 |
1.6 |
0.229 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[R16]A:408 |
6 |
1 |
518 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
20947 |
80.5 |
-2.4 |
0.707 |
0 |
0 |
0 |
0.011 |
22 |
23 |
|
[OCT]B:409 |
7 |
1 |
318 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
21120 |
79.8 |
1.7 |
0.796 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
[R16]B:410 |
9 |
1 |
521 |
f |
[D12]A:403 |
x,y,z |
1_555 |
8 |
1 |
427 |
78.7 |
1.6 |
0.280 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
[CD]B:401 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
21120 |
72.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.052 |
26 |
|
[CD]A:402 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
20947 |
63.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.052 |
Average: |
67.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.052 |
25 |
27 |
|
[K]A:409 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
20947 |
64.1 |
-36.4 |
0.000 |
0 |
0 |
0 |
0.170 |
26 |
28 |
|
[K]A:410 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
21120 |
62.9 |
-40.3 |
0.000 |
0 |
0 |
0 |
0.122 |
29 |
|
[K]A:410 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
12 |
8 |
20947 |
62.8 |
-39.9 |
0.000 |
0 |
0 |
0 |
0.122 |
Average: |
62.8 |
-40.1 |
0.000 |
0 |
0 |
0 |
0.122 |
27 |
30 |
|
[CD]B:403 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
21120 |
62.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.026 |
28 |
31 |
|
[UND]A:413 |
7 |
1 |
385 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
20947 |
61.5 |
-0.0 |
0.037 |
0 |
0 |
0 |
0.000 |
29 |
32 |
|
[K]A:412 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
21120 |
57.4 |
-35.8 |
0.000 |
0 |
0 |
0 |
0.315 |
33 |
|
[K]A:412 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
20947 |
57.0 |
-36.5 |
0.000 |
0 |
0 |
0 |
0.315 |
34 |
|
[K]A:411 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
21120 |
52.8 |
-34.1 |
0.000 |
0 |
0 |
0 |
0.315 |
35 |
|
[K]A:411 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
20947 |
52.3 |
-33.8 |
0.000 |
0 |
0 |
0 |
0.315 |
36 |
|
[K]B:412 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
21120 |
52.2 |
-34.6 |
0.000 |
0 |
0 |
0 |
0.315 |
37 |
|
[K]B:412 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
15 |
9 |
20947 |
51.2 |
-33.0 |
0.000 |
0 |
0 |
0 |
0.315 |
Average: |
53.8 |
-34.6 |
0.000 |
0 |
0 |
0 |
0.315 |
30 |
38 |
|
[R16]B:411 |
9 |
1 |
539 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
20947 |
55.2 |
-1.1 |
0.597 |
0 |
0 |
0 |
0.005 |
31 |
39 |
|
[LNK]A:406 |
4 |
1 |
240 |
f |
[D10]A:405 |
x,y,z |
1_555 |
6 |
1 |
368 |
53.3 |
3.5 |
1.000 |
0 |
0 |
0 |
0.000 |
32 |
40 |
|
[LNK]B:407 |
4 |
1 |
241 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
21120 |
53.0 |
0.9 |
0.377 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
[UND]A:414 |
6 |
1 |
391 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
21120 |
49.6 |
1.5 |
0.112 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
[CD]B:402 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
21120 |
47.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
[CD]B:402 |
1 |
1 |
112 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
2 |
20947 |
41.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
44.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
44 |
|
[K]A:409 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
21120 |
39.1 |
-22.3 |
0.000 |
0 |
0 |
0 |
0.104 |
36 |
45 |
|
[OCT]A:407 |
4 |
1 |
322 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
20947 |
38.6 |
0.6 |
0.608 |
0 |
0 |
0 |
0.000 |
37 |
46 |
|
[K]B:412 |
1 |
1 |
216 |
f |
[K]A:411 |
x,y,z |
1_555 |
1 |
1 |
216 |
36.4 |
-36.4 |
0.000 |
0 |
0 |
0 |
0.055 |
38 |
47 |
|
[K]B:412 |
1 |
1 |
216 |
f |
[K]A:410 |
x,y,z |
1_555 |
1 |
1 |
216 |
35.0 |
-35.0 |
0.000 |
0 |
0 |
0 |
0.053 |
39 |
48 |
|
[K]A:412 |
1 |
1 |
216 |
f |
[K]A:411 |
x,y,z |
1_555 |
1 |
1 |
216 |
35.0 |
-35.0 |
0.000 |
0 |
0 |
0 |
0.053 |
40 |
49 |
|
[R16]B:411 |
2 |
1 |
539 |
◊ |
[OCT]A:407 |
x,y,z |
1_555 |
4 |
1 |
322 |
33.8 |
0.6 |
0.940 |
0 |
0 |
0 |
0.000 |
41 |
50 |
|
[R16]B:410 |
5 |
1 |
521 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
20947 |
31.2 |
-1.0 |
0.468 |
0 |
0 |
0 |
0.005 |
42 |
51 |
|
[R16]A:408 |
5 |
1 |
518 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
21120 |
30.7 |
-1.0 |
0.459 |
0 |
0 |
0 |
0.005 |
43 |
52 |
|
[OCT]A:407 |
4 |
1 |
322 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
21120 |
24.8 |
0.4 |
0.651 |
0 |
0 |
0 |
0.000 |
44 |
53 |
|
A |
3 |
1 |
20947 |
f |
[UND]A:414 |
x-1,y,z |
1_455 |
3 |
1 |
391 |
24.7 |
0.7 |
0.192 |
0 |
0 |
0 |
0.000 |
45 |
54 |
|
[R16]A:408 |
4 |
1 |
518 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
20947 |
24.1 |
0.6 |
0.935 |
0 |
0 |
0 |
0.000 |
46 |
55 |
|
[OCT]B:408 |
1 |
1 |
317 |
f |
[Q6F]B:404 |
x,y,z |
1_555 |
4 |
1 |
559 |
21.6 |
0.6 |
0.520 |
0 |
0 |
0 |
0.000 |
47 |
56 |
|
[OCT]B:408 |
2 |
1 |
317 |
f |
[CD]B:403 |
x,y,z |
1_555 |
1 |
1 |
112 |
21.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.005 |
48 |
57 |
|
[K]A:412 |
1 |
1 |
216 |
◊ |
[K]A:409 |
x,y,z |
1_555 |
1 |
1 |
216 |
21.0 |
-21.0 |
0.000 |
0 |
0 |
0 |
0.032 |
49 |
58 |
|
[CD]B:401 |
1 |
1 |
112 |
f |
[Q6F]B:404 |
x,y,z |
1_555 |
1 |
1 |
559 |
20.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.018 |
59 |
|
[CD]A:402 |
1 |
1 |
112 |
f |
[Q6F]A:401 |
x,y,z |
1_555 |
4 |
1 |
549 |
18.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
19.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.018 |
50 |
60 |
|
[R16]A:408 |
1 |
1 |
518 |
f |
[OCT]A:407 |
x,y,z |
1_555 |
2 |
1 |
322 |
20.0 |
0.3 |
0.866 |
0 |
0 |
0 |
0.000 |
51 |
61 |
|
[UND]A:414 |
3 |
1 |
391 |
f |
[D10]B:406 |
x,y,z |
1_555 |
3 |
1 |
368 |
19.3 |
1.3 |
0.266 |
0 |
0 |
0 |
0.000 |
52 |
62 |
|
A |
3 |
1 |
20947 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
20947 |
17.6 |
0.3 |
0.844 |
0 |
0 |
0 |
0.000 |
53 |
63 |
|
[K]A:411 |
1 |
1 |
216 |
f |
[K]A:410 |
x,y,z |
1_555 |
1 |
1 |
216 |
14.8 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.022 |
54 |
64 |
|
[K]B:412 |
1 |
1 |
216 |
f |
[K]A:412 |
x,y,z |
1_555 |
1 |
1 |
216 |
14.7 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.022 |
55 |
65 |
|
[OCT]A:407 |
3 |
1 |
322 |
◊ |
[D12]B:405 |
x,y,z |
1_555 |
3 |
1 |
429 |
14.4 |
1.0 |
0.262 |
0 |
0 |
0 |
0.000 |
56 |
66 |
|
[LNK]B:407 |
2 |
1 |
241 |
f |
A |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
20947 |
14.3 |
0.2 |
0.505 |
0 |
0 |
0 |
0.000 |
57 |
67 |
|
[CD]B:403 |
1 |
1 |
112 |
f |
[Q6F]B:404 |
x,y,z |
1_555 |
2 |
1 |
559 |
13.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.006 |
58 |
68 |
|
[OCT]B:408 |
2 |
1 |
317 |
◊ |
[LNK]B:407 |
x,y,z |
1_555 |
1 |
1 |
241 |
8.9 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
59 |
69 |
|
[CD]B:401 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20947 |
5.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
70 |
|
[CD]A:402 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
21120 |
3.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
4.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
60 |
71 |
|
[OCT]B:408 |
1 |
1 |
317 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20947 |
4.0 |
0.1 |
0.683 |
0 |
0 |
0 |
0.000 |
61 |
72 |
|
[CD]B:401 |
1 |
1 |
112 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
21120 |
3.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
73 |
|
[UND]A:413 |
1 |
1 |
385 |
f |
[LNK]A:406 |
x,y,z |
1_555 |
1 |
1 |
240 |
3.8 |
0.2 |
0.302 |
0 |
0 |
0 |
0.000 |
63 |
74 |
|
B |
1 |
1 |
21120 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
20947 |
3.6 |
-0.1 |
0.475 |
0 |
0 |
0 |
0.000 |
64 |
75 |
|
B |
1 |
1 |
21120 |
◊ |
[R16]B:411 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
539 |
0.7 |
-0.0 |
0.767 |
0 |
0 |
0 |
0.000 |
|