| ## |
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 |
149 |
38 |
6433 |
◊ |
C |
x,y,z |
1_555 |
149 |
36 |
6041 |
1437.9 |
-16.8 |
0.317 |
23 |
4 |
0 |
1.000 |
2 |
|
B |
135 |
35 |
6049 |
◊ |
A |
x,y,z |
1_555 |
133 |
35 |
5924 |
1331.3 |
-16.3 |
0.194 |
19 |
5 |
0 |
1.000 |
3 |
|
F |
137 |
35 |
6007 |
◊ |
E |
x,y,z |
1_555 |
136 |
35 |
6240 |
1328.0 |
-16.7 |
0.149 |
21 |
5 |
0 |
1.000 |
| Average: |
1365.7 |
-16.6 |
0.220 |
21 |
5 |
0 |
1.000 |
| 2 |
4 |
|
E |
82 |
24 |
6240 |
◊ |
C |
x,y,z |
1_555 |
79 |
23 |
6041 |
722.8 |
-2.7 |
0.682 |
3 |
0 |
0 |
0.000 |
5 |
|
B |
79 |
21 |
6049 |
◊ |
B |
-x,y,-z |
2_555 |
79 |
21 |
6049 |
696.0 |
-4.4 |
0.565 |
4 |
0 |
0 |
0.000 |
| Average: |
709.4 |
-3.6 |
0.624 |
4 |
0 |
0 |
0.000 |
| 3 |
6 |
|
B |
44 |
12 |
6049 |
◊ |
D |
-x-1/2,y-1/2,-z |
4_445 |
39 |
12 |
6433 |
360.3 |
-5.1 |
0.301 |
3 |
2 |
0 |
0.000 |
7 |
|
E |
42 |
13 |
6240 |
◊ |
A |
x,y,z |
1_555 |
37 |
12 |
5924 |
359.0 |
-5.7 |
0.255 |
3 |
1 |
0 |
0.000 |
| Average: |
359.6 |
-5.4 |
0.278 |
3 |
2 |
0 |
0.000 |
| 4 |
8 |
|
F |
37 |
13 |
6007 |
◊ |
C |
-x-1/2,y-1/2,-z-1 |
4_444 |
36 |
11 |
6041 |
344.3 |
-0.8 |
0.676 |
3 |
6 |
0 |
0.000 |
| 5 |
9 |
|
F |
23 |
7 |
6007 |
◊ |
D |
-x-1/2,y-1/2,-z-1 |
4_444 |
26 |
8 |
6433 |
214.8 |
1.2 |
0.619 |
5 |
2 |
0 |
0.000 |
| 6 |
10 |
|
[CIT]F:104 |
12 |
1 |
315 |
f |
F |
x,y,z |
1_555 |
24 |
12 |
6007 |
182.3 |
-0.9 |
0.173 |
4 |
0 |
0 |
0.107 |
| 7 |
11 |
|
[CIT]D:103 |
11 |
1 |
310 |
f |
D |
x,y,z |
1_555 |
25 |
12 |
6433 |
181.3 |
0.2 |
0.416 |
3 |
0 |
0 |
0.100 |
| 8 |
12 |
|
[CIT]E:104 |
12 |
1 |
311 |
f |
E |
x,y,z |
1_555 |
25 |
12 |
6240 |
171.3 |
-0.4 |
0.293 |
3 |
0 |
0 |
0.270 |
| 9 |
13 |
|
E |
18 |
8 |
6240 |
◊ |
F |
-x-1/2,y-1/2,-z-1 |
4_444 |
15 |
4 |
6007 |
168.8 |
1.7 |
0.633 |
3 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[CIT]C:104 |
12 |
1 |
310 |
f |
C |
x,y,z |
1_555 |
24 |
13 |
6041 |
168.5 |
0.1 |
0.362 |
3 |
0 |
0 |
0.116 |
| 11 |
15 |
|
[CIT]B:103 |
12 |
1 |
310 |
◊ |
B |
x,y,z |
1_555 |
24 |
13 |
6049 |
167.9 |
1.2 |
0.411 |
2 |
0 |
0 |
0.000 |
| 12 |
16 |
|
E |
14 |
5 |
6240 |
x |
E |
-x-1/2,y-1/2,-z-1 |
4_444 |
11 |
4 |
6240 |
126.9 |
1.8 |
0.651 |
1 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[EDO]A:103 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
16 |
10 |
5924 |
109.9 |
2.8 |
0.390 |
2 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[EDO]E:103 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
14 |
4 |
6240 |
82.4 |
2.6 |
0.303 |
3 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[EDO]F:103 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
6007 |
82.4 |
2.0 |
0.270 |
2 |
0 |
0 |
0.000 |
| 16 |
20 |
|
F |
7 |
2 |
6007 |
◊ |
E |
-x-1/2,y-1/2,-z-1 |
4_444 |
8 |
2 |
6240 |
71.3 |
1.4 |
0.844 |
1 |
2 |
0 |
0.000 |
| 17 |
21 |
|
[CIT]F:104 |
5 |
1 |
315 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
6240 |
70.6 |
1.0 |
0.615 |
1 |
0 |
0 |
0.000 |
22 |
|
[CIT]E:104 |
6 |
1 |
311 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
6007 |
61.4 |
1.9 |
0.698 |
0 |
0 |
0 |
0.000 |
| Average: |
66.0 |
1.5 |
0.656 |
1 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[CIT]D:103 |
7 |
1 |
310 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
6041 |
68.2 |
0.6 |
0.498 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[EDO]C:103 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
6240 |
66.6 |
2.2 |
0.316 |
2 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[EDO]C:103 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
6041 |
66.3 |
2.0 |
0.897 |
4 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[CIT]B:103 |
7 |
1 |
310 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
5924 |
59.0 |
0.3 |
0.454 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[CIT]C:104 |
5 |
1 |
310 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
6433 |
57.6 |
0.8 |
0.589 |
1 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[EDO]F:103 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
4 |
3 |
6240 |
48.5 |
1.1 |
0.699 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[CIT]B:103 |
5 |
1 |
310 |
f |
B |
-x,y,-z |
2_555 |
3 |
1 |
6049 |
45.5 |
1.0 |
0.504 |
2 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[EDO]E:103 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
5924 |
45.1 |
1.4 |
0.295 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[CIT]C:104 |
5 |
1 |
310 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
6240 |
40.7 |
-0.3 |
0.319 |
2 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[CIT]E:104 |
4 |
1 |
311 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
6041 |
39.8 |
0.2 |
0.344 |
4 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[EDO]E:103 |
2 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
5 |
1 |
6007 |
31.8 |
0.6 |
0.807 |
1 |
0 |
0 |
0.000 |
| 29 |
34 |
|
F |
5 |
2 |
6007 |
◊ |
[EDO]C:103 |
-x-1/2,y-1/2,-z-1 |
4_444 |
2 |
1 |
186 |
24.4 |
0.9 |
0.908 |
0 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[EDO]A:103 |
3 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
6049 |
21.7 |
0.6 |
0.887 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
F |
3 |
3 |
6007 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
5924 |
16.0 |
0.1 |
0.644 |
0 |
0 |
0 |
0.000 |
37 |
|
A |
1 |
1 |
5924 |
◊ |
D |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
6433 |
14.5 |
-0.0 |
0.566 |
0 |
0 |
0 |
0.000 |
| Average: |
15.2 |
0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
| 32 |
38 |
|
E |
1 |
1 |
6240 |
◊ |
[EDO]C:103 |
-x-1/2,y-1/2,-z-1 |
4_444 |
2 |
1 |
186 |
8.1 |
0.3 |
0.912 |
0 |
0 |
0 |
0.000 |
| 33 |
39 |
|
C |
2 |
2 |
6041 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
5924 |
4.0 |
-0.1 |
0.584 |
0 |
0 |
0 |
0.000 |
|