## |
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 |
|
A |
58 |
18 |
6517 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
54 |
16 |
6560 |
520.1 |
-2.6 |
0.472 |
3 |
4 |
0 |
0.000 |
2 |
2 |
|
A |
62 |
13 |
6517 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
53 |
12 |
6560 |
509.4 |
1.1 |
0.741 |
6 |
7 |
0 |
0.008 |
3 |
3 |
|
A |
49 |
17 |
6517 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
43 |
16 |
6560 |
435.1 |
-1.5 |
0.518 |
2 |
0 |
0 |
0.000 |
4 |
4 |
|
[8TB]B:201 |
34 |
1 |
889 |
f |
B |
x,y,z |
1_555 |
48 |
14 |
6560 |
383.7 |
-5.1 |
0.390 |
1 |
0 |
0 |
0.071 |
5 |
|
[8TB]A:201 |
33 |
1 |
883 |
f |
A |
x,y,z |
1_555 |
46 |
13 |
6517 |
381.1 |
-6.0 |
0.291 |
2 |
0 |
0 |
0.071 |
Average: |
382.4 |
-5.6 |
0.341 |
2 |
0 |
0 |
0.071 |
5 |
6 |
|
[8TB]B:202 |
27 |
1 |
810 |
◊ |
B |
x,y,z |
1_555 |
37 |
12 |
6560 |
345.7 |
0.8 |
0.641 |
3 |
0 |
0 |
0.000 |
7 |
|
[8TB]A:202 |
27 |
1 |
807 |
◊ |
A |
x,y,z |
1_555 |
41 |
12 |
6517 |
345.4 |
0.9 |
0.647 |
2 |
0 |
0 |
0.000 |
Average: |
345.5 |
0.8 |
0.644 |
3 |
0 |
0 |
0.000 |
6 |
8 |
|
[8TB]A:203 |
27 |
1 |
893 |
f |
A |
x,y,z |
1_555 |
43 |
14 |
6517 |
303.9 |
-4.3 |
0.393 |
0 |
0 |
0 |
0.031 |
7 |
9 |
|
A |
31 |
8 |
6517 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
30 |
11 |
6517 |
263.9 |
-0.9 |
0.485 |
1 |
0 |
0 |
0.000 |
10 |
|
B |
25 |
7 |
6560 |
x |
B |
x-1/2,-y+3/2,-z |
4_465 |
22 |
9 |
6560 |
178.1 |
0.6 |
0.677 |
0 |
0 |
0 |
0.000 |
Average: |
221.0 |
-0.2 |
0.581 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
B |
29 |
8 |
6560 |
◊ |
A |
x,y,z |
1_555 |
24 |
12 |
6517 |
263.1 |
-1.6 |
0.390 |
1 |
0 |
0 |
0.000 |
12 |
|
A |
22 |
7 |
6517 |
◊ |
B |
x-1,y-1,z |
1_445 |
19 |
7 |
6560 |
214.5 |
-1.7 |
0.344 |
0 |
0 |
0 |
0.000 |
Average: |
238.8 |
-1.7 |
0.367 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
B |
25 |
8 |
6560 |
x |
B |
x-1,y,z |
1_455 |
33 |
8 |
6560 |
262.8 |
-1.6 |
0.361 |
1 |
1 |
0 |
0.000 |
14 |
|
A |
25 |
9 |
6517 |
x |
A |
x-1,y,z |
1_455 |
28 |
8 |
6517 |
228.1 |
-0.1 |
0.571 |
0 |
1 |
0 |
0.000 |
Average: |
245.4 |
-0.8 |
0.466 |
1 |
1 |
0 |
0.000 |
10 |
15 |
|
[8TB]A:203 |
21 |
1 |
893 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
40 |
13 |
6560 |
248.4 |
1.2 |
0.628 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
B |
18 |
6 |
6560 |
x |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
13 |
4 |
6560 |
125.2 |
0.4 |
0.659 |
1 |
0 |
0 |
0.000 |
17 |
|
A |
18 |
7 |
6517 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
13 |
4 |
6517 |
121.6 |
0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
Average: |
123.4 |
0.2 |
0.634 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
[8TB]A:201 |
11 |
1 |
883 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
6560 |
110.8 |
0.7 |
0.485 |
0 |
0 |
0 |
0.000 |
19 |
|
A |
13 |
6 |
6517 |
◊ |
[8TB]B:201 |
x-1,y-1,z |
1_445 |
7 |
1 |
889 |
69.3 |
0.7 |
0.632 |
0 |
0 |
0 |
0.000 |
Average: |
90.1 |
0.7 |
0.559 |
0 |
0 |
0 |
0.000 |
13 |
20 |
|
[8TB]A:202 |
11 |
1 |
807 |
f |
B |
x,y-1,z |
1_545 |
14 |
4 |
6560 |
101.8 |
-1.5 |
0.401 |
0 |
0 |
0 |
0.019 |
14 |
21 |
|
A |
13 |
4 |
6517 |
f |
[8TB]B:202 |
x-1,y,z |
1_455 |
10 |
1 |
810 |
99.9 |
-1.5 |
0.391 |
1 |
0 |
0 |
0.015 |
15 |
22 |
|
[8TB]A:201 |
9 |
1 |
883 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
14 |
5 |
6560 |
96.2 |
-2.9 |
0.298 |
0 |
0 |
0 |
0.009 |
16 |
23 |
|
A |
13 |
4 |
6517 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
3 |
6560 |
89.0 |
-0.2 |
0.425 |
0 |
0 |
0 |
0.000 |
24 |
|
A |
5 |
3 |
6517 |
◊ |
B |
x,y-1,z |
1_545 |
8 |
3 |
6560 |
67.5 |
-0.0 |
0.503 |
0 |
0 |
0 |
0.000 |
Average: |
78.3 |
-0.1 |
0.464 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
A |
12 |
4 |
6517 |
◊ |
[8TB]B:201 |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
1 |
889 |
85.4 |
-2.2 |
0.321 |
0 |
0 |
0 |
0.007 |
18 |
26 |
|
[8TB]A:201 |
11 |
1 |
883 |
◊ |
[8TB]B:201 |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
1 |
889 |
84.6 |
-3.5 |
0.250 |
0 |
0 |
0 |
0.011 |
19 |
27 |
|
[8TB]A:202 |
8 |
1 |
807 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
12 |
5 |
6560 |
73.9 |
-1.3 |
0.390 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
11 |
4 |
6517 |
◊ |
[8TB]B:202 |
x-1/2,-y+1/2,-z |
4_455 |
8 |
1 |
810 |
73.7 |
-1.2 |
0.408 |
0 |
0 |
0 |
0.000 |
Average: |
73.8 |
-1.3 |
0.399 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
[NO3]A:205 |
4 |
1 |
162 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
6517 |
70.7 |
0.8 |
0.530 |
3 |
0 |
0 |
0.008 |
30 |
|
[NO3]B:203 |
4 |
1 |
162 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
6560 |
69.6 |
0.7 |
0.510 |
3 |
0 |
0 |
0.008 |
Average: |
70.1 |
0.8 |
0.520 |
3 |
0 |
0 |
0.008 |
21 |
31 |
|
[8TB]A:203 |
6 |
1 |
893 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
4 |
6560 |
64.4 |
-0.5 |
0.492 |
0 |
0 |
0 |
0.001 |
22 |
32 |
|
[8TB]A:202 |
3 |
1 |
807 |
f |
[8TB]B:201 |
x,y-1,z |
1_545 |
7 |
1 |
889 |
49.2 |
-0.1 |
0.440 |
0 |
0 |
0 |
0.001 |
33 |
|
[8TB]A:201 |
5 |
1 |
883 |
f |
[8TB]B:202 |
x-1,y,z |
1_455 |
3 |
1 |
810 |
37.3 |
0.1 |
0.440 |
0 |
0 |
0 |
0.001 |
Average: |
43.2 |
-0.0 |
0.440 |
0 |
0 |
0 |
0.001 |
23 |
34 |
|
[NO3]A:204 |
4 |
1 |
161 |
f |
[8TB]A:202 |
x,y,z |
1_555 |
6 |
1 |
807 |
47.3 |
-0.8 |
0.455 |
0 |
0 |
0 |
0.010 |
24 |
35 |
|
[NO3]B:203 |
4 |
1 |
162 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
6517 |
45.5 |
-0.0 |
0.537 |
0 |
0 |
0 |
0.000 |
36 |
|
[NO3]A:205 |
4 |
1 |
162 |
◊ |
B |
x-1,y-1,z |
1_445 |
7 |
4 |
6560 |
44.1 |
0.1 |
0.558 |
0 |
0 |
0 |
0.000 |
Average: |
44.8 |
0.0 |
0.547 |
0 |
0 |
0 |
0.000 |
25 |
37 |
|
[NO3]A:206 |
4 |
1 |
160 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
7 |
4 |
6560 |
44.6 |
0.4 |
0.740 |
0 |
0 |
0 |
0.000 |
26 |
38 |
|
[8TB]B:202 |
6 |
1 |
810 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
5 |
1 |
6560 |
43.9 |
0.2 |
0.395 |
0 |
0 |
0 |
0.000 |
27 |
39 |
|
[NO3]A:206 |
4 |
1 |
160 |
◊ |
[8TB]B:202 |
x-1/2,-y+1/2,-z |
4_455 |
6 |
1 |
810 |
43.9 |
-0.8 |
0.459 |
0 |
0 |
0 |
0.000 |
28 |
40 |
|
[NO3]A:204 |
3 |
1 |
161 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
6517 |
43.7 |
0.4 |
0.090 |
0 |
0 |
0 |
0.000 |
29 |
41 |
|
[8TB]A:202 |
5 |
1 |
807 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
1 |
6517 |
41.1 |
0.1 |
0.397 |
0 |
0 |
0 |
0.000 |
30 |
42 |
|
[NO3]A:206 |
4 |
1 |
160 |
f |
[NO3]A:204 |
x,y,z |
1_555 |
4 |
1 |
161 |
33.0 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
31 |
43 |
|
[NO3]A:206 |
3 |
1 |
160 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
6517 |
30.2 |
0.5 |
0.859 |
1 |
0 |
0 |
0.000 |
32 |
44 |
|
[NO3]A:204 |
3 |
1 |
161 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
6560 |
28.4 |
0.6 |
0.887 |
0 |
0 |
0 |
0.000 |
33 |
45 |
|
[NO3]B:203 |
3 |
1 |
162 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
2 |
1 |
6560 |
20.8 |
-0.1 |
0.446 |
0 |
0 |
0 |
0.000 |
46 |
|
[NO3]A:205 |
3 |
1 |
162 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
6517 |
17.8 |
-0.1 |
0.546 |
0 |
0 |
0 |
0.000 |
Average: |
19.3 |
-0.1 |
0.496 |
0 |
0 |
0 |
0.000 |
34 |
47 |
|
[NO3]A:206 |
1 |
1 |
160 |
f |
[8TB]A:202 |
x,y,z |
1_555 |
1 |
1 |
807 |
1.4 |
-0.0 |
0.747 |
0 |
0 |
0 |
0.000 |
|