| ## |
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 |
457 |
118 |
22139 |
◊ |
A |
x,y,z |
1_555 |
461 |
119 |
22206 |
4561.5 |
-43.9 |
0.066 |
63 |
21 |
0 |
0.963 |
2 |
|
G |
455 |
117 |
22116 |
◊ |
F |
x,y,z |
1_555 |
463 |
117 |
22094 |
4537.7 |
-47.1 |
0.028 |
63 |
20 |
0 |
0.963 |
3 |
|
H |
460 |
118 |
22105 |
◊ |
E |
x,y,z |
1_555 |
462 |
118 |
22009 |
4536.3 |
-44.5 |
0.060 |
60 |
18 |
0 |
0.963 |
4 |
|
C |
461 |
117 |
22152 |
◊ |
B |
x,y,z |
1_555 |
460 |
118 |
22216 |
4527.7 |
-47.3 |
0.034 |
58 |
18 |
0 |
0.963 |
| Average: |
4540.8 |
-45.7 |
0.047 |
61 |
19 |
0 |
0.963 |
| 2 |
5 |
|
B |
307 |
88 |
22216 |
◊ |
A |
x,y,z |
1_555 |
309 |
88 |
22206 |
3027.6 |
-34.9 |
0.036 |
38 |
22 |
0 |
1.000 |
6 |
|
H |
308 |
88 |
22105 |
◊ |
G |
x,y,z |
1_555 |
313 |
88 |
22116 |
3026.3 |
-35.8 |
0.026 |
36 |
21 |
0 |
1.000 |
7 |
|
D |
310 |
87 |
22139 |
◊ |
C |
x,y,z |
1_555 |
312 |
86 |
22152 |
3022.9 |
-35.6 |
0.026 |
37 |
19 |
0 |
1.000 |
8 |
|
F |
310 |
87 |
22094 |
◊ |
E |
x,y,z |
1_555 |
308 |
86 |
22009 |
3017.5 |
-36.0 |
0.022 |
37 |
21 |
0 |
1.000 |
| Average: |
3023.6 |
-35.6 |
0.027 |
37 |
21 |
0 |
1.000 |
| 3 |
9 |
|
F |
45 |
15 |
22094 |
◊ |
G |
-x+2,y-1/2,-z+1 |
2_746 |
48 |
11 |
22116 |
437.4 |
5.2 |
0.947 |
6 |
0 |
0 |
0.000 |
| 4 |
10 |
|
C |
56 |
15 |
22152 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
47 |
16 |
22216 |
416.2 |
5.0 |
0.946 |
4 |
0 |
0 |
0.000 |
| 5 |
11 |
|
C |
41 |
14 |
22152 |
◊ |
G |
x-1,y,z-1 |
1_454 |
42 |
15 |
22116 |
374.8 |
-3.7 |
0.347 |
0 |
2 |
0 |
0.000 |
| 6 |
12 |
|
A |
35 |
12 |
22206 |
◊ |
G |
x-1,y,z |
1_455 |
34 |
12 |
22116 |
309.9 |
-0.9 |
0.610 |
1 |
2 |
0 |
0.000 |
| 7 |
13 |
|
F |
35 |
10 |
22094 |
◊ |
B |
x,y,z |
1_555 |
34 |
10 |
22216 |
286.1 |
-2.0 |
0.489 |
0 |
0 |
0 |
0.000 |
14 |
|
H |
30 |
10 |
22105 |
◊ |
D |
x,y,z |
1_555 |
30 |
10 |
22139 |
279.5 |
-2.0 |
0.463 |
1 |
0 |
0 |
0.000 |
| Average: |
282.8 |
-2.0 |
0.476 |
1 |
0 |
0 |
0.000 |
| 8 |
15 |
|
E |
30 |
12 |
22009 |
◊ |
F |
x-1,y,z |
1_455 |
30 |
9 |
22094 |
272.4 |
-1.9 |
0.468 |
4 |
5 |
0 |
0.000 |
16 |
|
D |
29 |
9 |
22139 |
◊ |
C |
x-1,y,z |
1_455 |
30 |
11 |
22152 |
266.2 |
-2.2 |
0.431 |
3 |
4 |
0 |
0.000 |
| Average: |
269.3 |
-2.1 |
0.450 |
4 |
5 |
0 |
0.000 |
| 9 |
17 |
|
[PMI]G:701 |
13 |
1 |
352 |
cf |
G |
x,y,z |
1_555 |
32 |
16 |
22116 |
201.7 |
1.5 |
0.485 |
3 |
0 |
0 |
0.000 |
18 |
|
[PMI]C:701 |
13 |
1 |
353 |
cf |
C |
x,y,z |
1_555 |
30 |
15 |
22152 |
201.2 |
1.5 |
0.482 |
3 |
0 |
0 |
0.000 |
19 |
|
[PMI]B:701 |
13 |
1 |
352 |
cf |
B |
x,y,z |
1_555 |
32 |
15 |
22216 |
200.0 |
1.5 |
0.488 |
3 |
0 |
0 |
0.000 |
20 |
|
[PMI]F:701 |
13 |
1 |
353 |
cf |
F |
x,y,z |
1_555 |
31 |
15 |
22094 |
199.9 |
1.5 |
0.472 |
3 |
0 |
0 |
0.000 |
21 |
|
[PMI]E:701 |
13 |
1 |
354 |
cf |
E |
x,y,z |
1_555 |
28 |
15 |
22009 |
199.3 |
1.6 |
0.473 |
3 |
0 |
0 |
0.000 |
22 |
|
[PMI]H:701 |
13 |
1 |
354 |
cf |
H |
x,y,z |
1_555 |
31 |
15 |
22105 |
199.1 |
1.5 |
0.470 |
3 |
0 |
0 |
0.000 |
23 |
|
[PMI]A:701 |
13 |
1 |
353 |
cf |
A |
x,y,z |
1_555 |
32 |
16 |
22206 |
199.1 |
1.4 |
0.481 |
3 |
0 |
0 |
0.000 |
24 |
|
[PMI]D:701 |
13 |
1 |
352 |
cf |
D |
x,y,z |
1_555 |
32 |
16 |
22139 |
197.8 |
1.4 |
0.473 |
3 |
0 |
0 |
0.000 |
| Average: |
199.8 |
1.5 |
0.478 |
3 |
0 |
0 |
0.000 |
| 10 |
25 |
|
D |
18 |
5 |
22139 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
23 |
6 |
22206 |
200.2 |
4.0 |
0.953 |
3 |
3 |
0 |
0.000 |
| 11 |
26 |
|
D |
22 |
10 |
22139 |
◊ |
B |
x,y,z |
1_555 |
25 |
12 |
22216 |
187.9 |
1.4 |
0.836 |
0 |
0 |
0 |
0.000 |
27 |
|
H |
23 |
11 |
22105 |
◊ |
F |
x,y,z |
1_555 |
22 |
10 |
22094 |
183.4 |
1.3 |
0.826 |
0 |
0 |
0 |
0.000 |
28 |
|
G |
22 |
10 |
22116 |
◊ |
E |
x,y,z |
1_555 |
22 |
10 |
22009 |
172.9 |
1.2 |
0.823 |
0 |
0 |
0 |
0.000 |
29 |
|
C |
21 |
11 |
22152 |
◊ |
A |
x,y,z |
1_555 |
22 |
11 |
22206 |
169.6 |
0.9 |
0.797 |
1 |
0 |
0 |
0.000 |
| Average: |
178.5 |
1.2 |
0.821 |
0 |
0 |
0 |
0.000 |
| 12 |
30 |
|
E |
15 |
4 |
22009 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
4 |
22105 |
142.2 |
1.5 |
0.741 |
3 |
5 |
0 |
0.000 |
| 13 |
31 |
|
D |
16 |
5 |
22139 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
5 |
22105 |
95.0 |
0.9 |
0.727 |
0 |
0 |
0 |
0.000 |
| 14 |
32 |
|
D |
8 |
3 |
22139 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
7 |
4 |
22216 |
80.8 |
2.7 |
0.948 |
1 |
2 |
0 |
0.000 |
| 15 |
33 |
|
[PMI]A:701 |
6 |
1 |
353 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
22139 |
67.2 |
0.1 |
0.338 |
4 |
0 |
0 |
0.054 |
34 |
|
[PMI]H:701 |
6 |
1 |
354 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
22009 |
67.1 |
0.2 |
0.331 |
4 |
0 |
0 |
0.054 |
35 |
|
[PMI]D:701 |
6 |
1 |
352 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
22206 |
66.7 |
0.2 |
0.330 |
4 |
0 |
0 |
0.054 |
36 |
|
[PMI]B:701 |
6 |
1 |
352 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
22152 |
66.3 |
0.2 |
0.330 |
5 |
0 |
0 |
0.054 |
37 |
|
[PMI]E:701 |
6 |
1 |
354 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
22105 |
66.2 |
0.2 |
0.330 |
4 |
0 |
0 |
0.054 |
38 |
|
[PMI]F:701 |
6 |
1 |
353 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
22116 |
65.4 |
0.0 |
0.328 |
5 |
0 |
0 |
0.054 |
39 |
|
[PMI]C:701 |
6 |
1 |
353 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
22216 |
65.4 |
0.1 |
0.341 |
4 |
0 |
0 |
0.054 |
40 |
|
[PMI]G:701 |
6 |
1 |
352 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
22094 |
65.4 |
-0.0 |
0.335 |
5 |
0 |
0 |
0.054 |
| Average: |
66.2 |
0.1 |
0.333 |
4 |
0 |
0 |
0.054 |
| 16 |
41 |
|
[PMI]F:701 |
3 |
1 |
353 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
22009 |
31.9 |
0.1 |
0.245 |
0 |
0 |
0 |
0.000 |
42 |
|
[PMI]G:701 |
3 |
1 |
352 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
22105 |
31.5 |
0.1 |
0.252 |
0 |
0 |
0 |
0.000 |
43 |
|
[PMI]E:701 |
3 |
1 |
354 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
22094 |
31.3 |
0.2 |
0.262 |
0 |
0 |
0 |
0.000 |
44 |
|
[PMI]D:701 |
3 |
1 |
352 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
22152 |
30.9 |
0.1 |
0.241 |
0 |
0 |
0 |
0.000 |
45 |
|
[PMI]A:701 |
3 |
1 |
353 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
22216 |
30.7 |
0.1 |
0.241 |
0 |
0 |
0 |
0.000 |
46 |
|
[PMI]C:701 |
3 |
1 |
353 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
22139 |
30.2 |
0.2 |
0.277 |
0 |
0 |
0 |
0.000 |
47 |
|
[PMI]B:701 |
3 |
1 |
352 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
22206 |
30.0 |
0.1 |
0.259 |
0 |
0 |
0 |
0.000 |
48 |
|
[PMI]H:701 |
3 |
1 |
354 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
22116 |
29.8 |
0.1 |
0.267 |
0 |
0 |
0 |
0.000 |
| Average: |
30.8 |
0.1 |
0.255 |
0 |
0 |
0 |
0.000 |
| 17 |
49 |
|
F |
3 |
1 |
22094 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
22152 |
13.9 |
0.2 |
0.749 |
0 |
0 |
0 |
0.000 |
50 |
|
G |
1 |
1 |
22116 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22216 |
11.1 |
0.2 |
0.788 |
0 |
0 |
0 |
0.000 |
51 |
|
E |
1 |
1 |
22009 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
22139 |
9.5 |
0.2 |
0.760 |
0 |
0 |
0 |
0.000 |
52 |
|
H |
2 |
1 |
22105 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22206 |
8.1 |
0.2 |
0.739 |
0 |
0 |
0 |
0.000 |
| Average: |
10.6 |
0.2 |
0.759 |
0 |
0 |
0 |
0.000 |
|