| ## |
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 |
49 |
19 |
6673 |
◊ |
B |
x,y,z |
1_555 |
52 |
15 |
6620 |
452.5 |
-2.6 |
0.353 |
4 |
0 |
0 |
0.000 |
2 |
|
D |
53 |
15 |
6418 |
◊ |
A |
x,y,z |
1_555 |
48 |
19 |
6638 |
448.6 |
-2.5 |
0.370 |
4 |
0 |
0 |
0.000 |
| Average: |
450.6 |
-2.6 |
0.362 |
4 |
0 |
0 |
0.000 |
| 2 |
3 |
|
A |
34 |
10 |
6638 |
x |
A |
x-1,y,z |
1_455 |
49 |
15 |
6638 |
349.2 |
-0.9 |
0.511 |
5 |
0 |
0 |
0.000 |
4 |
|
C |
35 |
9 |
6673 |
x |
C |
x-1,y,z |
1_455 |
43 |
13 |
6673 |
290.7 |
-0.5 |
0.546 |
5 |
0 |
0 |
0.000 |
5 |
|
B |
28 |
8 |
6620 |
x |
B |
x-1,y,z |
1_455 |
39 |
11 |
6620 |
285.5 |
0.2 |
0.543 |
5 |
0 |
0 |
0.000 |
6 |
|
D |
22 |
6 |
6418 |
x |
D |
x-1,y,z |
1_455 |
35 |
12 |
6418 |
212.4 |
0.9 |
0.643 |
2 |
0 |
0 |
0.000 |
| Average: |
284.5 |
-0.1 |
0.561 |
4 |
0 |
0 |
0.000 |
| 3 |
7 |
|
[4SQ]A:409 |
18 |
1 |
480 |
f |
A |
x,y,z |
1_555 |
48 |
22 |
6638 |
327.2 |
-11.1 |
0.188 |
12 |
0 |
0 |
0.024 |
| 4 |
8 |
|
D |
40 |
11 |
6418 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
37 |
11 |
6638 |
322.8 |
-1.0 |
0.501 |
6 |
0 |
0 |
0.000 |
9 |
|
C |
36 |
10 |
6673 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
34 |
10 |
6620 |
300.6 |
-1.1 |
0.454 |
5 |
0 |
0 |
0.000 |
| Average: |
311.7 |
-1.1 |
0.477 |
6 |
0 |
0 |
0.000 |
| 5 |
10 |
|
[4SQ]B:406 |
18 |
1 |
474 |
f |
B |
x,y,z |
1_555 |
44 |
18 |
6620 |
312.1 |
-9.3 |
0.318 |
8 |
0 |
0 |
0.018 |
| 6 |
11 |
|
[4SQ]C:404 |
18 |
1 |
470 |
f |
C |
x,y,z |
1_555 |
43 |
20 |
6673 |
308.8 |
-10.4 |
0.305 |
7 |
0 |
0 |
0.022 |
| 7 |
12 |
|
[4SQ]D:404 |
18 |
1 |
473 |
f |
D |
x,y,z |
1_555 |
44 |
21 |
6418 |
306.4 |
-10.3 |
0.201 |
9 |
0 |
0 |
0.018 |
| 8 |
13 |
|
[EPE]A:410 |
13 |
1 |
405 |
◊ |
A |
x,y,z |
1_555 |
22 |
9 |
6638 |
134.8 |
4.1 |
0.057 |
1 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[EPE]C:405 |
13 |
1 |
407 |
◊ |
C |
x,y,z |
1_555 |
21 |
10 |
6673 |
132.2 |
4.1 |
0.060 |
1 |
0 |
0 |
0.000 |
| 10 |
15 |
|
A |
14 |
6 |
6638 |
◊ |
C |
x-1,y,z |
1_455 |
12 |
6 |
6673 |
117.6 |
0.3 |
0.639 |
1 |
0 |
0 |
0.000 |
16 |
|
C |
1 |
1 |
6673 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6638 |
1.2 |
-0.0 |
0.597 |
0 |
0 |
0 |
0.000 |
| Average: |
59.4 |
0.2 |
0.618 |
1 |
0 |
0 |
0.000 |
| 11 |
17 |
|
D |
14 |
5 |
6418 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
3 |
6620 |
116.4 |
0.1 |
0.590 |
2 |
1 |
0 |
0.000 |
18 |
|
D |
12 |
2 |
6418 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
13 |
3 |
6620 |
101.5 |
-0.2 |
0.504 |
1 |
0 |
0 |
0.000 |
| Average: |
108.9 |
-0.1 |
0.547 |
2 |
1 |
0 |
0.000 |
| 12 |
19 |
|
D |
9 |
4 |
6418 |
◊ |
C |
x-1,y,z |
1_455 |
11 |
5 |
6673 |
106.6 |
0.3 |
0.596 |
0 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[PEG]B:404 |
7 |
1 |
254 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
6620 |
101.4 |
2.6 |
0.290 |
1 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[EPE]C:405 |
8 |
1 |
407 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
6620 |
87.7 |
1.4 |
0.044 |
1 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[EPE]A:410 |
7 |
1 |
405 |
◊ |
D |
x,y,z |
1_555 |
11 |
6 |
6418 |
85.0 |
1.4 |
0.072 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[EDO]A:408 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
6638 |
75.0 |
2.7 |
0.304 |
1 |
0 |
0 |
0.000 |
| 17 |
24 |
|
C |
12 |
4 |
6673 |
◊ |
[EDO]B:405 |
x-1,y,z |
1_455 |
4 |
1 |
183 |
67.8 |
1.6 |
0.696 |
1 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
6638 |
63.7 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.014 |
| 19 |
26 |
|
D |
6 |
3 |
6418 |
◊ |
C |
x,y,z |
1_555 |
10 |
6 |
6673 |
59.7 |
0.6 |
0.724 |
1 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[CL]B:403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
6620 |
58.5 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.012 |
28 |
|
[CL]D:403 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
6418 |
58.3 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
58.4 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| 21 |
29 |
|
D |
12 |
5 |
6418 |
f |
[CL]A:403 |
-x,y-1/2,-z+2 |
2_547 |
1 |
1 |
125 |
58.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.009 |
| 22 |
30 |
|
B |
6 |
2 |
6620 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
6638 |
51.5 |
0.1 |
0.600 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
A |
8 |
4 |
6638 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
6620 |
50.5 |
0.4 |
0.694 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
[CL]A:403 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
6638 |
44.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
33 |
|
D |
7 |
4 |
6418 |
f |
[CA]D:402 |
x-1,y,z |
1_455 |
1 |
1 |
85 |
37.8 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.011 |
34 |
|
A |
7 |
4 |
6638 |
f |
[CA]A:402 |
x-1,y,z |
1_455 |
1 |
1 |
85 |
36.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.011 |
35 |
|
C |
5 |
4 |
6673 |
f |
[CA]C:402 |
x-1,y,z |
1_455 |
1 |
1 |
85 |
36.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.011 |
36 |
|
B |
5 |
4 |
6620 |
f |
[CA]B:402 |
x-1,y,z |
1_455 |
1 |
1 |
85 |
35.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
36.6 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.011 |
| 26 |
37 |
|
[EDO]B:405 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
6620 |
37.2 |
0.4 |
0.462 |
0 |
0 |
0 |
0.000 |
| 27 |
38 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
6673 |
37.1 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.045 |
39 |
|
[ZN]D:401 |
1 |
1 |
98 |
cf |
D |
x,y,z |
1_555 |
8 |
6 |
6418 |
36.5 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.045 |
40 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
6620 |
36.4 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.045 |
41 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
6638 |
35.7 |
-26.8 |
0.000 |
0 |
0 |
0 |
0.045 |
| Average: |
36.4 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.045 |
| 28 |
42 |
|
[CL]A:404 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
2 |
6638 |
30.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 29 |
43 |
|
[4SQ]D:404 |
5 |
1 |
473 |
f |
[ZN]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.6 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.018 |
| 30 |
44 |
|
[4SQ]A:409 |
6 |
1 |
480 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.6 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.021 |
45 |
|
[4SQ]B:406 |
4 |
1 |
474 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.9 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.021 |
| Average: |
30.3 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.021 |
| 31 |
46 |
|
[4SQ]C:404 |
5 |
1 |
470 |
cf |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.4 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.023 |
| 32 |
47 |
|
A |
2 |
1 |
6638 |
f |
[EPE]A:410 |
x-1,y,z |
1_455 |
6 |
1 |
405 |
28.1 |
0.9 |
0.052 |
0 |
0 |
0 |
0.000 |
| 33 |
48 |
|
[CA]D:402 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
6418 |
27.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
|
[CA]B:402 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
6620 |
27.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
|
[CA]C:402 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
6673 |
27.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
|
[CA]A:402 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
6638 |
27.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
27.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 34 |
52 |
|
C |
2 |
1 |
6673 |
f |
[EPE]C:405 |
x-1,y,z |
1_455 |
6 |
1 |
407 |
26.4 |
0.3 |
0.020 |
0 |
0 |
0 |
0.000 |
| 35 |
53 |
|
[CL]D:403 |
1 |
1 |
125 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
5 |
1 |
6620 |
26.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
|
D |
3 |
1 |
6418 |
◊ |
[CL]B:403 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
125 |
19.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
22.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 36 |
55 |
|
[EPE]A:410 |
2 |
1 |
405 |
f |
[PEG]B:404 |
-x+1,y-1/2,-z+2 |
2_647 |
2 |
1 |
254 |
21.0 |
1.1 |
0.238 |
0 |
0 |
0 |
0.000 |
| 37 |
56 |
|
[4SQ]B:406 |
2 |
1 |
474 |
f |
[CL]B:403 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.003 |
| 38 |
57 |
|
C |
4 |
3 |
6673 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
3 |
6620 |
13.4 |
-0.0 |
0.577 |
0 |
0 |
0 |
0.000 |
58 |
|
D |
2 |
2 |
6418 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
2 |
2 |
6638 |
13.1 |
0.0 |
0.627 |
0 |
0 |
0 |
0.000 |
| Average: |
13.2 |
0.0 |
0.602 |
0 |
0 |
0 |
0.000 |
| 39 |
59 |
|
D |
1 |
1 |
6418 |
◊ |
[4SQ]D:404 |
x-1,y,z |
1_455 |
1 |
1 |
473 |
9.5 |
0.0 |
0.648 |
0 |
0 |
0 |
0.000 |
| 40 |
60 |
|
A |
1 |
1 |
6638 |
f |
[EDO]B:405 |
x-1,y,z |
1_455 |
1 |
1 |
183 |
7.3 |
0.2 |
0.885 |
0 |
0 |
0 |
0.000 |
| 41 |
61 |
|
C |
4 |
2 |
6673 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
3 |
6620 |
4.4 |
0.0 |
0.585 |
0 |
0 |
0 |
0.000 |
62 |
|
A |
2 |
1 |
6638 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
6418 |
1.3 |
0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
| Average: |
2.9 |
0.0 |
0.594 |
0 |
0 |
0 |
0.000 |
| 42 |
63 |
|
C |
2 |
1 |
6673 |
◊ |
[4SQ]C:404 |
x-1,y,z |
1_455 |
1 |
1 |
470 |
4.1 |
-0.1 |
0.558 |
0 |
0 |
0 |
0.000 |
|