| ## |
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 |
|
D |
216 |
60 |
17090 |
◊ |
C |
x,y,z |
1_555 |
216 |
64 |
17155 |
2163.3 |
-28.2 |
0.323 |
22 |
3 |
0 |
0.728 |
2 |
|
B |
214 |
58 |
17054 |
◊ |
A |
x,y,z |
1_555 |
223 |
63 |
17200 |
2161.0 |
-27.5 |
0.374 |
24 |
3 |
0 |
0.728 |
3 |
|
C |
215 |
57 |
17155 |
◊ |
B |
x,y,z |
1_555 |
213 |
60 |
17054 |
2127.9 |
-25.7 |
0.431 |
20 |
3 |
0 |
0.728 |
4 |
|
E |
215 |
62 |
17163 |
◊ |
A |
x,y,z |
1_555 |
220 |
61 |
17200 |
2113.2 |
-24.1 |
0.480 |
19 |
3 |
0 |
0.728 |
5 |
|
E |
215 |
57 |
17163 |
◊ |
D |
x,y,z |
1_555 |
213 |
61 |
17090 |
2080.1 |
-27.1 |
0.332 |
22 |
3 |
0 |
0.728 |
| Average: |
2129.1 |
-26.5 |
0.388 |
21 |
3 |
0 |
0.728 |
| 2 |
6 |
|
B |
61 |
16 |
17054 |
◊ |
B |
-x,y,-z |
2_555 |
61 |
16 |
17054 |
515.9 |
-4.0 |
0.746 |
8 |
4 |
0 |
0.000 |
| 3 |
7 |
|
C |
43 |
14 |
17155 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
45 |
15 |
17163 |
412.4 |
-0.3 |
0.863 |
2 |
8 |
0 |
0.000 |
| 4 |
8 |
|
D |
39 |
14 |
17090 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
35 |
14 |
17200 |
347.4 |
-1.6 |
0.770 |
3 |
0 |
0 |
0.000 |
| 5 |
9 |
|
[EDP]D:402 |
11 |
1 |
413 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
17163 |
94.2 |
-1.9 |
0.574 |
0 |
0 |
0 |
0.014 |
| 6 |
10 |
|
A |
13 |
3 |
17200 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
13 |
3 |
17200 |
88.4 |
-2.1 |
0.402 |
0 |
0 |
0 |
0.000 |
11 |
|
D |
11 |
3 |
17090 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
11 |
3 |
17155 |
87.1 |
-2.0 |
0.356 |
0 |
0 |
0 |
0.000 |
12 |
|
E |
11 |
3 |
17163 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
12 |
3 |
17054 |
86.4 |
-2.1 |
0.364 |
0 |
0 |
0 |
0.000 |
| Average: |
87.3 |
-2.1 |
0.374 |
0 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[D12]A:401 |
7 |
1 |
426 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
17200 |
87.0 |
0.8 |
0.136 |
0 |
0 |
0 |
0.000 |
| 8 |
14 |
|
[EDP]D:402 |
8 |
1 |
413 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
17090 |
84.5 |
-1.4 |
0.627 |
1 |
0 |
0 |
0.007 |
| 9 |
15 |
|
[D12]A:401 |
10 |
1 |
426 |
f |
E |
x,y,z |
1_555 |
7 |
3 |
17163 |
84.1 |
0.1 |
0.036 |
0 |
0 |
0 |
0.000 |
| 10 |
16 |
|
[D12]A:401 |
12 |
1 |
426 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
17054 |
80.0 |
0.2 |
0.022 |
0 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[D12]A:401 |
10 |
1 |
426 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
17090 |
79.5 |
-0.2 |
0.019 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[EDP]D:402 |
9 |
1 |
413 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
17200 |
79.2 |
-1.1 |
0.679 |
1 |
0 |
0 |
0.006 |
| 13 |
19 |
|
[D12]A:401 |
9 |
1 |
426 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
17155 |
77.7 |
-0.0 |
0.028 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[CL]E:401 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
17163 |
74.5 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.223 |
21 |
|
[CL]D:401 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
17090 |
73.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.223 |
22 |
|
[CL]C:401 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
17155 |
72.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.223 |
23 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
17200 |
72.5 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.223 |
24 |
|
[CL]B:401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
17054 |
71.2 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.223 |
| Average: |
73.0 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.223 |
| 15 |
25 |
|
A |
11 |
4 |
17200 |
◊ |
A |
-x,y,-z |
2_555 |
11 |
4 |
17200 |
74.0 |
-1.4 |
0.500 |
0 |
0 |
0 |
0.000 |
| 16 |
26 |
|
[EDP]D:402 |
7 |
1 |
413 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
17054 |
71.3 |
-1.7 |
0.499 |
0 |
0 |
0 |
0.007 |
| 17 |
27 |
|
[EDP]D:402 |
10 |
1 |
413 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
17155 |
68.3 |
-1.3 |
0.622 |
1 |
0 |
0 |
0.007 |
| 18 |
28 |
|
C |
4 |
1 |
17155 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
17200 |
25.9 |
0.3 |
0.789 |
0 |
0 |
0 |
0.000 |
29 |
|
D |
3 |
1 |
17090 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
17163 |
19.3 |
0.4 |
0.830 |
0 |
0 |
0 |
0.000 |
| Average: |
22.6 |
0.3 |
0.810 |
0 |
0 |
0 |
0.000 |
| 19 |
30 |
|
[EDP]D:402 |
1 |
1 |
413 |
f |
[D12]A:401 |
x,y,z |
1_555 |
1 |
1 |
426 |
23.8 |
-1.3 |
0.149 |
0 |
0 |
0 |
0.009 |
| 20 |
31 |
|
[CL]C:401 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
17054 |
11.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.013 |
32 |
|
[CL]E:401 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
17090 |
10.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.013 |
33 |
|
[CL]B:401 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
17200 |
10.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
34 |
|
[CL]A:402 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
17163 |
8.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.013 |
35 |
|
[CL]D:401 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
17155 |
6.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
9.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
| 21 |
36 |
|
E |
1 |
1 |
17163 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17155 |
4.5 |
0.1 |
0.805 |
0 |
0 |
0 |
0.000 |
37 |
|
D |
1 |
1 |
17090 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17054 |
4.5 |
0.1 |
0.804 |
0 |
0 |
0 |
0.000 |
38 |
|
D |
1 |
1 |
17090 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17200 |
3.8 |
0.1 |
0.800 |
0 |
0 |
0 |
0.000 |
39 |
|
C |
1 |
1 |
17155 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17200 |
3.1 |
0.1 |
0.789 |
0 |
0 |
0 |
0.000 |
40 |
|
E |
1 |
1 |
17163 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17054 |
3.1 |
0.1 |
0.785 |
0 |
0 |
0 |
0.000 |
| Average: |
3.8 |
0.1 |
0.796 |
0 |
0 |
0 |
0.000 |
|