| ## |
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 |
225 |
64 |
16712 |
◊ |
C |
x,y,z |
1_555 |
235 |
61 |
16352 |
2281.6 |
-29.5 |
0.043 |
32 |
5 |
0 |
0.565 |
2 |
|
C |
206 |
61 |
16352 |
◊ |
B |
x,y,z |
1_555 |
226 |
61 |
17002 |
2198.8 |
-25.1 |
0.085 |
34 |
5 |
0 |
0.565 |
3 |
|
D |
229 |
60 |
16712 |
◊ |
A |
x,y,z |
1_555 |
215 |
62 |
16304 |
2187.7 |
-26.3 |
0.075 |
35 |
5 |
0 |
0.565 |
4 |
|
B |
215 |
63 |
17002 |
◊ |
A |
x,y,z |
1_555 |
211 |
56 |
16304 |
2090.7 |
-21.8 |
0.140 |
32 |
10 |
0 |
0.565 |
| Average: |
2189.7 |
-25.7 |
0.086 |
33 |
6 |
0 |
0.565 |
| 2 |
5 |
|
B |
40 |
8 |
17002 |
◊ |
B |
-x,y,-z+1 |
2_556 |
41 |
8 |
17002 |
438.7 |
-6.1 |
0.197 |
8 |
0 |
0 |
0.016 |
| 3 |
6 |
|
D |
50 |
14 |
16712 |
◊ |
A |
-x,y,-z |
2_555 |
54 |
14 |
16304 |
418.0 |
1.7 |
0.849 |
6 |
1 |
0 |
0.000 |
7 |
|
C |
41 |
10 |
16352 |
◊ |
B |
-x,y,-z |
2_555 |
42 |
12 |
17002 |
371.9 |
1.1 |
0.808 |
2 |
0 |
0 |
0.000 |
| Average: |
394.9 |
1.4 |
0.828 |
4 |
1 |
0 |
0.000 |
| 4 |
8 |
|
D |
40 |
13 |
16712 |
◊ |
C |
-x-1/2,y-1/2,-z |
4_445 |
39 |
13 |
16352 |
345.2 |
6.1 |
0.973 |
4 |
3 |
0 |
0.000 |
| 5 |
9 |
|
[8N1]D:501 |
28 |
1 |
697 |
f |
D |
x,y,z |
1_555 |
42 |
14 |
16712 |
341.2 |
-4.1 |
0.328 |
6 |
0 |
0 |
0.097 |
10 |
|
[8N1]C:501 |
29 |
1 |
700 |
f |
C |
x,y,z |
1_555 |
41 |
14 |
16352 |
337.5 |
-4.7 |
0.273 |
6 |
0 |
0 |
0.097 |
11 |
|
[8N1]A:502 |
29 |
1 |
693 |
f |
A |
x,y,z |
1_555 |
42 |
15 |
16304 |
334.0 |
-4.4 |
0.276 |
6 |
0 |
0 |
0.097 |
12 |
|
[8N1]B:502 |
29 |
1 |
695 |
f |
B |
x,y,z |
1_555 |
43 |
16 |
17002 |
331.8 |
-4.6 |
0.300 |
6 |
0 |
0 |
0.097 |
| Average: |
336.1 |
-4.5 |
0.294 |
6 |
0 |
0 |
0.097 |
| 6 |
13 |
|
[IMP]C:500 |
22 |
1 |
498 |
f |
C |
x,y,z |
1_555 |
50 |
27 |
16352 |
312.9 |
-6.2 |
0.418 |
11 |
0 |
0 |
0.149 |
14 |
|
[IMP]D:500 |
22 |
1 |
498 |
f |
D |
x,y,z |
1_555 |
48 |
26 |
16712 |
312.2 |
-5.9 |
0.437 |
11 |
0 |
0 |
0.149 |
15 |
|
[IMP]B:501 |
22 |
1 |
497 |
f |
B |
x,y,z |
1_555 |
49 |
26 |
17002 |
311.8 |
-6.1 |
0.444 |
11 |
0 |
0 |
0.149 |
16 |
|
[IMP]A:501 |
22 |
1 |
495 |
f |
A |
x,y,z |
1_555 |
49 |
26 |
16304 |
311.4 |
-5.9 |
0.433 |
11 |
0 |
0 |
0.149 |
| Average: |
312.1 |
-6.0 |
0.433 |
11 |
0 |
0 |
0.149 |
| 7 |
17 |
|
D |
27 |
8 |
16712 |
◊ |
B |
-x,y,-z+1 |
2_556 |
30 |
8 |
17002 |
285.1 |
0.7 |
0.765 |
5 |
6 |
0 |
0.008 |
| 8 |
18 |
|
D |
25 |
8 |
16712 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
27 |
7 |
17002 |
244.2 |
0.9 |
0.678 |
4 |
5 |
0 |
0.000 |
19 |
|
C |
27 |
9 |
16352 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
27 |
7 |
16304 |
232.8 |
0.9 |
0.710 |
3 |
4 |
0 |
0.000 |
| Average: |
238.5 |
0.9 |
0.694 |
4 |
5 |
0 |
0.000 |
| 9 |
20 |
|
B |
20 |
4 |
17002 |
◊ |
A |
-x,y,-z+1 |
2_556 |
31 |
11 |
16304 |
212.8 |
-0.8 |
0.581 |
6 |
0 |
0 |
0.011 |
| 10 |
21 |
|
A |
20 |
7 |
16304 |
◊ |
A |
-x,y,-z+1 |
2_556 |
20 |
7 |
16304 |
174.8 |
1.0 |
0.783 |
0 |
0 |
0 |
0.000 |
| 11 |
22 |
|
[MPD]D:502 |
7 |
1 |
276 |
f |
D |
x,y,z |
1_555 |
17 |
10 |
16712 |
163.3 |
-11.2 |
0.406 |
1 |
0 |
0 |
0.079 |
23 |
|
[MPD]A:503 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
16304 |
161.3 |
-11.0 |
0.488 |
1 |
0 |
0 |
0.079 |
| Average: |
162.3 |
-11.1 |
0.447 |
1 |
0 |
0 |
0.079 |
| 12 |
24 |
|
[MRD]C:502 |
7 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
22 |
11 |
16352 |
161.8 |
0.7 |
0.292 |
1 |
0 |
0 |
0.000 |
| 13 |
25 |
|
[8N1]A:502 |
15 |
1 |
693 |
◊ |
D |
x,y,z |
1_555 |
22 |
7 |
16712 |
159.5 |
-5.3 |
0.316 |
0 |
0 |
0 |
0.071 |
26 |
|
[8N1]D:501 |
16 |
1 |
697 |
◊ |
C |
x,y,z |
1_555 |
23 |
7 |
16352 |
158.8 |
-5.1 |
0.319 |
0 |
0 |
0 |
0.071 |
27 |
|
[8N1]C:501 |
15 |
1 |
700 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
17002 |
156.2 |
-5.2 |
0.326 |
0 |
0 |
0 |
0.071 |
28 |
|
[8N1]B:502 |
15 |
1 |
695 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
16304 |
156.1 |
-5.2 |
0.320 |
0 |
0 |
0 |
0.071 |
| Average: |
157.6 |
-5.2 |
0.320 |
0 |
0 |
0 |
0.071 |
| 14 |
29 |
|
[MPD]B:503 |
7 |
1 |
272 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
17002 |
134.5 |
-9.3 |
0.567 |
1 |
0 |
0 |
0.038 |
| 15 |
30 |
|
[FMT]B:504 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
17002 |
89.0 |
-0.2 |
0.617 |
0 |
0 |
0 |
0.000 |
| 16 |
31 |
|
[MPD]B:503 |
5 |
1 |
272 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
16304 |
61.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.013 |
| 17 |
32 |
|
C |
9 |
4 |
16352 |
◊ |
B |
-x,y,-z+1 |
2_556 |
6 |
3 |
17002 |
60.5 |
0.6 |
0.750 |
0 |
2 |
0 |
0.000 |
| 18 |
33 |
|
[8N1]D:501 |
7 |
1 |
697 |
f |
[IMP]D:500 |
x,y,z |
1_555 |
12 |
1 |
498 |
60.5 |
3.5 |
0.802 |
0 |
0 |
0 |
0.000 |
34 |
|
[8N1]B:502 |
7 |
1 |
695 |
f |
[IMP]B:501 |
x,y,z |
1_555 |
12 |
1 |
497 |
59.7 |
3.5 |
0.814 |
0 |
0 |
0 |
0.000 |
35 |
|
[8N1]A:502 |
7 |
1 |
693 |
f |
[IMP]A:501 |
x,y,z |
1_555 |
12 |
1 |
495 |
59.0 |
3.5 |
0.814 |
0 |
0 |
0 |
0.000 |
36 |
|
[8N1]C:501 |
6 |
1 |
700 |
f |
[IMP]C:500 |
x,y,z |
1_555 |
12 |
1 |
498 |
58.5 |
3.4 |
0.816 |
0 |
0 |
0 |
0.000 |
| Average: |
59.4 |
3.5 |
0.812 |
0 |
0 |
0 |
0.000 |
| 19 |
37 |
|
A |
7 |
2 |
16304 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
8 |
4 |
17002 |
57.9 |
0.8 |
0.778 |
1 |
2 |
0 |
0.000 |
38 |
|
D |
4 |
1 |
16712 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
10 |
5 |
16304 |
57.9 |
0.9 |
0.795 |
1 |
1 |
0 |
0.000 |
| Average: |
57.9 |
0.9 |
0.787 |
1 |
2 |
0 |
0.000 |
| 20 |
39 |
|
[MPD]A:503 |
5 |
1 |
278 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
16712 |
54.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.024 |
40 |
|
[MPD]D:502 |
5 |
1 |
276 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
16352 |
51.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
53.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.024 |
| 21 |
41 |
|
[MRD]C:502 |
4 |
1 |
278 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
17002 |
47.7 |
0.5 |
0.159 |
0 |
0 |
0 |
0.000 |
| 22 |
42 |
|
[FMT]A:505 |
3 |
1 |
149 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
16304 |
31.9 |
-0.3 |
0.374 |
0 |
0 |
0 |
0.000 |
| 23 |
43 |
|
[FMT]A:505 |
2 |
1 |
149 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
16712 |
30.8 |
-0.6 |
0.248 |
0 |
0 |
0 |
0.002 |
| 24 |
44 |
|
[FMT]A:505 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
17002 |
29.6 |
0.1 |
0.583 |
2 |
0 |
0 |
0.003 |
| 25 |
45 |
|
[FMT]A:505 |
3 |
1 |
149 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
16352 |
29.3 |
-0.1 |
0.392 |
0 |
0 |
0 |
0.000 |
| 26 |
46 |
|
[IMP]A:501 |
1 |
1 |
495 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16712 |
13.1 |
-0.8 |
0.300 |
0 |
0 |
0 |
0.012 |
47 |
|
[IMP]B:501 |
1 |
1 |
497 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16304 |
13.0 |
-0.9 |
0.281 |
0 |
0 |
0 |
0.012 |
48 |
|
[IMP]D:500 |
1 |
1 |
498 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16352 |
12.6 |
-0.9 |
0.200 |
0 |
0 |
0 |
0.012 |
49 |
|
[IMP]C:500 |
1 |
1 |
498 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17002 |
12.5 |
-0.8 |
0.287 |
0 |
0 |
0 |
0.012 |
| Average: |
12.8 |
-0.9 |
0.267 |
0 |
0 |
0 |
0.012 |
| 27 |
50 |
|
A |
4 |
2 |
16304 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
3 |
17002 |
10.7 |
-0.3 |
0.487 |
0 |
0 |
0 |
0.000 |
| 28 |
51 |
|
A |
2 |
2 |
16304 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
2 |
16304 |
1.5 |
0.1 |
0.685 |
0 |
0 |
0 |
0.000 |
|