| ## |
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 |
304 |
91 |
15763 |
◊ |
A |
x,y,z |
1_555 |
298 |
90 |
16366 |
2989.5 |
-19.4 |
0.194 |
37 |
12 |
0 |
0.394 |
2 |
|
D |
303 |
90 |
15746 |
◊ |
C |
x,y,z |
1_555 |
304 |
90 |
15726 |
2985.3 |
-21.6 |
0.173 |
36 |
12 |
0 |
0.394 |
| Average: |
2987.4 |
-20.5 |
0.184 |
37 |
12 |
0 |
0.394 |
| 2 |
3 |
|
A |
44 |
11 |
16366 |
◊ |
B |
x-1,y,z |
1_455 |
42 |
12 |
15763 |
381.4 |
0.7 |
0.676 |
2 |
2 |
0 |
0.000 |
| 3 |
4 |
|
C |
41 |
10 |
15726 |
◊ |
A |
x,y,z |
1_555 |
39 |
12 |
16366 |
314.7 |
2.1 |
0.815 |
5 |
8 |
0 |
0.000 |
5 |
|
D |
37 |
11 |
15746 |
◊ |
B |
x,y,z-1 |
1_554 |
33 |
10 |
15763 |
282.9 |
2.7 |
0.854 |
5 |
8 |
0 |
0.000 |
| Average: |
298.8 |
2.4 |
0.835 |
5 |
8 |
0 |
0.000 |
| 4 |
6 |
|
[DCS]D:401 |
22 |
1 |
478 |
f |
D |
x,y,z |
1_555 |
40 |
16 |
15746 |
270.5 |
2.8 |
0.672 |
9 |
0 |
0 |
0.023 |
7 |
|
[DCS]A:401 |
22 |
1 |
472 |
f |
A |
x,y,z |
1_555 |
42 |
15 |
16366 |
270.2 |
2.9 |
0.687 |
8 |
0 |
0 |
0.023 |
8 |
|
[DCS]B:401 |
22 |
1 |
471 |
f |
B |
x,y,z |
1_555 |
43 |
16 |
15763 |
269.4 |
3.0 |
0.693 |
9 |
0 |
0 |
0.023 |
9 |
|
[DCS]C:401 |
22 |
1 |
471 |
f |
C |
x,y,z |
1_555 |
40 |
15 |
15726 |
266.5 |
2.9 |
0.686 |
9 |
0 |
0 |
0.023 |
| Average: |
269.2 |
2.9 |
0.685 |
9 |
0 |
0 |
0.023 |
| 5 |
10 |
|
A |
23 |
7 |
16366 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
20 |
8 |
15746 |
208.1 |
-2.5 |
0.280 |
0 |
0 |
0 |
0.000 |
| 6 |
11 |
|
A |
19 |
7 |
16366 |
◊ |
D |
x-1,y,z |
1_455 |
14 |
3 |
15746 |
147.5 |
4.5 |
0.958 |
2 |
3 |
0 |
0.000 |
12 |
|
C |
10 |
3 |
15726 |
◊ |
B |
x-1,y,z-1 |
1_454 |
17 |
6 |
15763 |
112.0 |
2.7 |
0.914 |
3 |
6 |
0 |
0.000 |
| Average: |
129.8 |
3.6 |
0.936 |
3 |
5 |
0 |
0.000 |
| 7 |
13 |
|
[DCS]D:401 |
14 |
1 |
478 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
15726 |
117.4 |
0.6 |
0.614 |
1 |
0 |
0 |
0.000 |
14 |
|
[DCS]B:401 |
12 |
1 |
471 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
16366 |
115.5 |
0.6 |
0.623 |
1 |
0 |
0 |
0.000 |
15 |
|
[DCS]A:401 |
12 |
1 |
472 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
15763 |
115.0 |
0.6 |
0.629 |
2 |
0 |
0 |
0.000 |
16 |
|
[DCS]C:401 |
13 |
1 |
471 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
15746 |
114.3 |
0.7 |
0.631 |
2 |
0 |
0 |
0.000 |
| Average: |
115.5 |
0.6 |
0.624 |
2 |
0 |
0 |
0.001 |
| 8 |
17 |
|
A |
13 |
3 |
16366 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
2 |
15763 |
115.1 |
-0.6 |
0.350 |
0 |
2 |
0 |
0.000 |
| 9 |
18 |
|
A |
8 |
4 |
16366 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
9 |
5 |
15726 |
71.7 |
0.9 |
0.703 |
1 |
0 |
0 |
0.000 |
| 10 |
19 |
|
[CL]B:404 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
15763 |
68.1 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.110 |
| 11 |
20 |
|
[NA]C:404 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
15726 |
67.6 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.217 |
21 |
|
[NA]D:402 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
15746 |
67.0 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.217 |
| Average: |
67.3 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.217 |
| 12 |
22 |
|
A |
5 |
2 |
16366 |
x |
A |
x-1,y,z |
1_455 |
4 |
2 |
16366 |
66.7 |
2.6 |
0.952 |
4 |
6 |
0 |
0.000 |
23 |
|
B |
8 |
3 |
15763 |
x |
B |
x-1,y,z |
1_455 |
7 |
4 |
15763 |
43.1 |
0.5 |
0.746 |
0 |
1 |
0 |
0.000 |
| Average: |
54.9 |
1.6 |
0.849 |
2 |
4 |
0 |
0.000 |
| 13 |
24 |
|
C |
13 |
5 |
15726 |
◊ |
D |
x-1,y,z |
1_455 |
13 |
7 |
15746 |
64.1 |
-0.7 |
0.503 |
0 |
0 |
0 |
0.000 |
| 14 |
25 |
|
[CL]D:403 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
10 |
15746 |
63.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.203 |
26 |
|
[CL]B:403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
15763 |
54.0 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.203 |
27 |
|
[CL]C:405 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
10 |
15726 |
52.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.203 |
28 |
|
[CL]A:403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
10 |
16366 |
52.7 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.203 |
| Average: |
55.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.203 |
| 15 |
29 |
|
[NA]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
15763 |
56.8 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.201 |
30 |
|
[NA]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
16366 |
56.2 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.201 |
31 |
|
[NA]C:402 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
15726 |
56.1 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.201 |
| Average: |
56.3 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.201 |
| 16 |
32 |
|
D |
5 |
1 |
15746 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
15726 |
42.1 |
0.2 |
0.655 |
1 |
0 |
0 |
0.000 |
| 17 |
33 |
|
D |
5 |
3 |
15746 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
4 |
3 |
15746 |
40.4 |
0.7 |
0.720 |
1 |
0 |
0 |
0.000 |
| 18 |
34 |
|
B |
4 |
2 |
15763 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
16366 |
39.7 |
1.3 |
0.883 |
3 |
4 |
0 |
0.000 |
| 19 |
35 |
|
C |
8 |
2 |
15726 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
4 |
3 |
15746 |
39.1 |
-0.6 |
0.443 |
0 |
0 |
0 |
0.000 |
| 20 |
36 |
|
[CL]A:403 |
1 |
1 |
125 |
f |
[NA]A:402 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.049 |
| 21 |
37 |
|
[CL]B:403 |
1 |
1 |
125 |
f |
[NA]B:402 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.049 |
| 22 |
38 |
|
[CL]C:405 |
1 |
1 |
125 |
f |
[NA]C:402 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.048 |
| 23 |
39 |
|
B |
4 |
2 |
15763 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
3 |
1 |
15746 |
19.5 |
0.2 |
0.684 |
0 |
0 |
0 |
0.000 |
| 24 |
40 |
|
[CL]D:403 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15726 |
15.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.014 |
41 |
|
[CL]C:405 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
15746 |
12.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.014 |
42 |
|
[CL]A:403 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15763 |
12.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.014 |
43 |
|
[CL]B:403 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16366 |
12.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
13.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.014 |
| 25 |
44 |
|
D |
1 |
1 |
15746 |
◊ |
[NA]D:402 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
125 |
1.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|