| ## |
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 |
51 |
15 |
9824 |
◊ |
A |
x,y,z |
1_555 |
50 |
15 |
9890 |
486.5 |
-0.6 |
0.623 |
13 |
2 |
0 |
0.000 |
| 2 |
2 |
|
B |
40 |
10 |
9824 |
◊ |
A |
-x+1,y,-z+3 |
2_658 |
40 |
10 |
9890 |
378.9 |
1.7 |
0.799 |
8 |
2 |
0 |
0.000 |
| 3 |
3 |
|
[H32]A:504 |
21 |
1 |
448 |
f |
A |
x,y,z |
1_555 |
55 |
16 |
9890 |
306.5 |
-3.8 |
0.508 |
5 |
0 |
0 |
0.005 |
| 4 |
4 |
|
B |
24 |
7 |
9824 |
x |
B |
-x+1/2,y-1/2,-z+3 |
4_548 |
29 |
10 |
9824 |
239.7 |
-1.1 |
0.460 |
4 |
3 |
0 |
0.000 |
5 |
|
A |
29 |
10 |
9890 |
x |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
23 |
7 |
9890 |
229.7 |
-1.7 |
0.450 |
2 |
1 |
0 |
0.000 |
| Average: |
234.7 |
-1.4 |
0.455 |
3 |
2 |
0 |
0.000 |
| 5 |
6 |
|
B |
21 |
6 |
9824 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
17 |
8 |
9890 |
164.1 |
1.5 |
0.677 |
2 |
0 |
0 |
0.000 |
7 |
|
A |
18 |
6 |
9890 |
◊ |
B |
x-1/2,y-1/2,z-1 |
3_444 |
12 |
5 |
9824 |
125.6 |
1.6 |
0.791 |
4 |
0 |
0 |
0.000 |
| Average: |
144.9 |
1.6 |
0.734 |
3 |
0 |
0 |
0.000 |
| 6 |
8 |
|
A |
15 |
5 |
9890 |
◊ |
B |
x,y,z-1 |
1_554 |
14 |
6 |
9824 |
118.0 |
-1.6 |
0.298 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
B |
13 |
4 |
9824 |
◊ |
A |
-x,y,-z+2 |
2_557 |
15 |
5 |
9890 |
93.0 |
1.0 |
0.746 |
1 |
2 |
0 |
0.000 |
| 8 |
10 |
|
A |
5 |
1 |
9890 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
4_547 |
10 |
4 |
9824 |
67.8 |
2.2 |
0.865 |
3 |
1 |
0 |
0.000 |
| 9 |
11 |
|
A |
7 |
4 |
9890 |
◊ |
B |
-x+1/2,y-1/2,-z+3 |
4_548 |
10 |
2 |
9824 |
65.6 |
-0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[FMT]A:505 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
9890 |
53.9 |
0.1 |
0.677 |
2 |
0 |
0 |
0.000 |
| 11 |
13 |
|
A |
13 |
6 |
9890 |
◊ |
[FMT]A:506 |
-x+1/2,y-1/2,-z+2 |
4_547 |
3 |
1 |
149 |
53.7 |
-0.3 |
0.359 |
2 |
0 |
0 |
0.000 |
14 |
|
[FMT]B:505 |
3 |
1 |
149 |
◊ |
B |
-x+1/2,y-1/2,-z+3 |
4_548 |
14 |
6 |
9824 |
53.5 |
-0.2 |
0.355 |
2 |
0 |
0 |
0.000 |
| Average: |
53.6 |
-0.2 |
0.357 |
2 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[FMT]B:504 |
3 |
1 |
148 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
9824 |
51.2 |
0.0 |
0.663 |
2 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
9824 |
48.6 |
-33.3 |
0.000 |
0 |
0 |
0 |
0.031 |
17 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
9890 |
37.0 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.031 |
| Average: |
42.8 |
-29.3 |
0.000 |
0 |
0 |
0 |
0.031 |
| 14 |
18 |
|
[ZN]B:501 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
7 |
4 |
9824 |
45.9 |
-33.6 |
0.000 |
0 |
0 |
0 |
0.032 |
19 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
9890 |
37.3 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
41.6 |
-30.2 |
0.000 |
0 |
0 |
0 |
0.032 |
| 15 |
20 |
|
[FMT]A:506 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
9890 |
45.5 |
-0.1 |
0.408 |
1 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[FMT]B:505 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
9824 |
43.3 |
-0.1 |
0.420 |
1 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[FMT]B:504 |
3 |
1 |
148 |
◊ |
B |
-x+1/2,y-1/2,-z+3 |
4_548 |
5 |
3 |
9824 |
36.9 |
0.0 |
0.529 |
2 |
0 |
0 |
0.000 |
| 18 |
23 |
|
A |
7 |
4 |
9890 |
◊ |
[FMT]A:505 |
-x+1/2,y-1/2,-z+2 |
4_547 |
3 |
1 |
149 |
35.8 |
-0.1 |
0.327 |
1 |
0 |
0 |
0.000 |
| 19 |
24 |
|
B |
3 |
2 |
9824 |
◊ |
B |
-x,y,-z+2 |
2_557 |
3 |
2 |
9824 |
31.9 |
0.1 |
0.641 |
0 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[ZN]B:503 |
1 |
1 |
98 |
◊ |
B |
-x+1/2,y-1/2,-z+3 |
4_548 |
6 |
3 |
9824 |
24.2 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
|
A |
6 |
3 |
9890 |
◊ |
[ZN]A:503 |
-x+1/2,y-1/2,-z+2 |
4_547 |
1 |
1 |
98 |
23.1 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
23.6 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[ZN]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
9890 |
24.1 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.011 |
28 |
|
[ZN]B:503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
9824 |
23.6 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
23.8 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.011 |
| 22 |
29 |
|
[H32]A:504 |
10 |
1 |
448 |
f |
[ZN]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.008 |
| 23 |
30 |
|
[FMT]B:504 |
3 |
1 |
148 |
cf |
[ZN]B:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.1 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.014 |
31 |
|
[FMT]A:505 |
3 |
1 |
149 |
f |
[ZN]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.0 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.014 |
32 |
|
[FMT]A:506 |
3 |
1 |
149 |
f |
[ZN]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.1 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
20.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.014 |
| 24 |
33 |
|
[FMT]B:505 |
3 |
1 |
149 |
cf |
[ZN]B:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.007 |
| 25 |
34 |
|
A |
2 |
1 |
9890 |
◊ |
A |
-x,y,-z+2 |
2_557 |
2 |
1 |
9890 |
19.2 |
-0.6 |
0.200 |
0 |
0 |
0 |
0.000 |
| 26 |
35 |
|
[FMT]B:505 |
3 |
1 |
149 |
f |
[FMT]B:504 |
x,y,z |
1_555 |
1 |
1 |
148 |
18.9 |
0.3 |
0.294 |
0 |
0 |
0 |
0.000 |
| 27 |
36 |
|
[H32]A:504 |
9 |
1 |
448 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.006 |
| 28 |
37 |
|
[FMT]A:506 |
3 |
1 |
149 |
f |
[FMT]A:505 |
x,y,z |
1_555 |
1 |
1 |
149 |
17.8 |
0.3 |
0.294 |
0 |
0 |
0 |
0.000 |
| 29 |
38 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.010 |
| 30 |
39 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.4 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.009 |
|