## |
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 |
335 |
91 |
21649 |
◊ |
C |
x,y,z |
1_555 |
331 |
88 |
21401 |
3206.5 |
-24.8 |
0.264 |
45 |
10 |
0 |
0.596 |
2 |
|
B |
341 |
91 |
21527 |
◊ |
A |
x,y,z |
1_555 |
331 |
91 |
21483 |
3184.5 |
-25.0 |
0.268 |
42 |
9 |
0 |
0.596 |
Average: |
3195.5 |
-24.9 |
0.266 |
44 |
10 |
0 |
0.596 |
2 |
3 |
|
D |
268 |
73 |
21649 |
◊ |
B |
x,y,z |
1_555 |
272 |
70 |
21527 |
2550.5 |
-48.9 |
0.000 |
13 |
1 |
0 |
0.779 |
4 |
|
C |
258 |
69 |
21401 |
◊ |
A |
x,y,z |
1_555 |
259 |
70 |
21483 |
2515.2 |
-52.2 |
0.000 |
8 |
2 |
0 |
0.779 |
Average: |
2532.9 |
-50.5 |
0.000 |
11 |
2 |
0 |
0.779 |
3 |
5 |
|
[FDA]B:601 |
47 |
1 |
972 |
f |
B |
x,y,z |
1_555 |
68 |
23 |
21527 |
526.8 |
-9.4 |
0.206 |
12 |
0 |
0 |
0.394 |
6 |
|
[FDA]D:601 |
44 |
1 |
964 |
f |
D |
x,y,z |
1_555 |
70 |
24 |
21649 |
523.6 |
-9.4 |
0.283 |
13 |
0 |
0 |
0.394 |
7 |
|
[FDA]C:600 |
46 |
1 |
967 |
f |
C |
x,y,z |
1_555 |
68 |
24 |
21401 |
521.8 |
-8.8 |
0.264 |
12 |
0 |
0 |
0.394 |
8 |
|
[FDA]A:600 |
47 |
1 |
963 |
f |
A |
x,y,z |
1_555 |
69 |
24 |
21483 |
515.6 |
-8.9 |
0.259 |
12 |
0 |
0 |
0.394 |
Average: |
522.0 |
-9.1 |
0.253 |
12 |
0 |
0 |
0.394 |
4 |
9 |
|
A |
51 |
17 |
21483 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
55 |
16 |
21649 |
448.5 |
-0.8 |
0.707 |
7 |
0 |
0 |
0.000 |
5 |
10 |
|
A |
45 |
14 |
21483 |
◊ |
D |
x-1,y,z |
1_455 |
41 |
14 |
21649 |
410.4 |
-0.1 |
0.738 |
5 |
2 |
0 |
0.000 |
6 |
11 |
|
C |
43 |
15 |
21401 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
41 |
13 |
21527 |
397.2 |
-1.6 |
0.566 |
4 |
4 |
0 |
0.000 |
7 |
12 |
|
[FDA]B:601 |
33 |
1 |
972 |
◊ |
A |
x,y,z |
1_555 |
34 |
13 |
21483 |
308.4 |
-4.3 |
0.450 |
5 |
0 |
0 |
0.163 |
13 |
|
[FDA]D:601 |
34 |
1 |
964 |
◊ |
C |
x,y,z |
1_555 |
36 |
12 |
21401 |
305.0 |
-3.9 |
0.482 |
5 |
0 |
0 |
0.163 |
14 |
|
[FDA]C:600 |
34 |
1 |
967 |
◊ |
D |
x,y,z |
1_555 |
35 |
12 |
21649 |
297.6 |
-4.3 |
0.451 |
4 |
0 |
0 |
0.163 |
15 |
|
[FDA]A:600 |
34 |
1 |
963 |
◊ |
B |
x,y,z |
1_555 |
38 |
13 |
21527 |
296.3 |
-4.0 |
0.476 |
4 |
0 |
0 |
0.163 |
Average: |
301.9 |
-4.1 |
0.465 |
5 |
0 |
0 |
0.163 |
8 |
16 |
|
[NPO]A:601 |
10 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
27 |
11 |
21483 |
197.1 |
3.8 |
0.288 |
1 |
0 |
0 |
0.000 |
17 |
|
[NPO]C:601 |
10 |
1 |
275 |
f |
C |
x,y,z |
1_555 |
26 |
10 |
21401 |
191.3 |
2.8 |
0.164 |
2 |
0 |
0 |
0.000 |
Average: |
194.2 |
3.3 |
0.226 |
2 |
0 |
0 |
0.000 |
9 |
18 |
|
C |
23 |
10 |
21401 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
16 |
5 |
21649 |
179.2 |
1.0 |
0.793 |
3 |
0 |
0 |
0.000 |
10 |
19 |
|
[NPO]A:602 |
10 |
1 |
274 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
21527 |
116.4 |
1.8 |
0.062 |
0 |
0 |
0 |
0.000 |
20 |
|
[NPO]C:602 |
10 |
1 |
274 |
◊ |
D |
x,y,z |
1_555 |
19 |
7 |
21649 |
115.3 |
1.9 |
0.058 |
0 |
0 |
0 |
0.000 |
Average: |
115.9 |
1.9 |
0.060 |
0 |
0 |
0 |
0.000 |
11 |
21 |
|
[NPO]D:602 |
10 |
1 |
275 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
21401 |
114.2 |
1.9 |
0.065 |
0 |
0 |
0 |
0.000 |
22 |
|
[NPO]B:602 |
10 |
1 |
274 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
21483 |
113.7 |
1.9 |
0.059 |
0 |
0 |
0 |
0.000 |
Average: |
113.9 |
1.9 |
0.062 |
0 |
0 |
0 |
0.000 |
12 |
23 |
|
[NPO]B:602 |
9 |
1 |
274 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
21527 |
112.8 |
1.8 |
0.073 |
0 |
0 |
0 |
0.000 |
24 |
|
[NPO]D:602 |
9 |
1 |
275 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
21649 |
111.4 |
2.0 |
0.080 |
0 |
0 |
0 |
0.000 |
Average: |
112.1 |
1.9 |
0.076 |
0 |
0 |
0 |
0.000 |
13 |
25 |
|
[NPO]C:602 |
9 |
1 |
274 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
21401 |
112.7 |
1.7 |
0.066 |
0 |
0 |
0 |
0.000 |
26 |
|
[NPO]A:602 |
9 |
1 |
274 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
21483 |
111.3 |
1.8 |
0.071 |
0 |
0 |
0 |
0.000 |
Average: |
112.0 |
1.8 |
0.068 |
0 |
0 |
0 |
0.000 |
14 |
27 |
|
C |
5 |
2 |
21401 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
21527 |
36.6 |
-1.1 |
0.240 |
0 |
0 |
0 |
0.008 |
28 |
|
D |
5 |
2 |
21649 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
21483 |
33.5 |
-1.0 |
0.275 |
0 |
0 |
0 |
0.008 |
Average: |
35.1 |
-1.1 |
0.258 |
0 |
0 |
0 |
0.008 |
15 |
29 |
|
[NPO]A:601 |
5 |
1 |
278 |
f |
[FDA]A:600 |
x,y,z |
1_555 |
5 |
1 |
963 |
34.5 |
-0.1 |
0.046 |
0 |
0 |
0 |
0.003 |
30 |
|
[NPO]C:601 |
4 |
1 |
275 |
f |
[FDA]C:600 |
x,y,z |
1_555 |
4 |
1 |
967 |
31.2 |
-0.1 |
0.086 |
0 |
0 |
0 |
0.003 |
Average: |
32.9 |
-0.1 |
0.066 |
0 |
0 |
0 |
0.003 |
16 |
31 |
|
[NPO]B:602 |
3 |
1 |
274 |
f |
[NPO]A:602 |
x,y,z |
1_555 |
3 |
1 |
274 |
19.3 |
0.6 |
0.007 |
1 |
0 |
0 |
0.000 |
17 |
32 |
|
[NPO]D:602 |
3 |
1 |
275 |
f |
[NPO]C:602 |
x,y,z |
1_555 |
3 |
1 |
274 |
16.7 |
0.5 |
0.005 |
1 |
0 |
0 |
0.000 |
18 |
33 |
|
C |
2 |
2 |
21401 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
21527 |
8.9 |
0.3 |
0.821 |
0 |
0 |
0 |
0.000 |
19 |
34 |
|
[FDA]B:601 |
1 |
1 |
972 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
21649 |
6.8 |
-0.1 |
0.385 |
0 |
0 |
0 |
0.003 |
35 |
|
[FDA]A:600 |
1 |
1 |
963 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
21401 |
6.6 |
-0.1 |
0.382 |
0 |
0 |
0 |
0.003 |
36 |
|
[FDA]D:601 |
2 |
1 |
964 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
21527 |
5.8 |
-0.1 |
0.381 |
0 |
0 |
0 |
0.003 |
37 |
|
[FDA]C:600 |
1 |
1 |
967 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
21483 |
5.8 |
-0.1 |
0.406 |
0 |
0 |
0 |
0.003 |
Average: |
6.2 |
-0.1 |
0.388 |
0 |
0 |
0 |
0.003 |
|