| ## |
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 |
|
B |
326 |
82 |
15856 |
◊ |
A |
x,y,z |
1_555 |
328 |
85 |
16060 |
3134.9 |
-37.9 |
0.075 |
31 |
0 |
0 |
1.000 |
2 |
|
D |
319 |
81 |
15576 |
◊ |
C |
x,y,z |
1_555 |
323 |
85 |
16077 |
3015.1 |
-36.3 |
0.161 |
29 |
0 |
0 |
1.000 |
| Average: |
3075.0 |
-37.1 |
0.118 |
30 |
0 |
0 |
1.000 |
| 2 |
3 |
|
C |
50 |
15 |
16077 |
◊ |
A |
x,y,z |
1_555 |
53 |
16 |
16060 |
497.9 |
-0.8 |
0.712 |
7 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
57 |
21 |
15856 |
◊ |
A |
x,y,z-1 |
1_554 |
46 |
12 |
16060 |
448.3 |
1.4 |
0.819 |
5 |
9 |
0 |
0.000 |
| 4 |
5 |
|
A |
46 |
12 |
16060 |
◊ |
D |
-x-1/2,y-1/2,-z |
3_445 |
43 |
14 |
15576 |
441.2 |
-0.2 |
0.806 |
10 |
7 |
0 |
0.000 |
| 5 |
6 |
|
B |
42 |
10 |
15856 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
48 |
10 |
16077 |
423.3 |
-0.8 |
0.687 |
6 |
5 |
0 |
0.000 |
| 6 |
7 |
|
[PMP]D:500 |
16 |
1 |
409 |
f |
D |
x,y,z |
1_555 |
46 |
18 |
15576 |
264.2 |
-1.2 |
0.674 |
8 |
0 |
0 |
0.363 |
8 |
|
[PMP]C:500 |
16 |
1 |
407 |
f |
C |
x,y,z |
1_555 |
44 |
18 |
16077 |
255.8 |
-1.1 |
0.600 |
9 |
0 |
0 |
0.363 |
| Average: |
260.0 |
-1.2 |
0.637 |
9 |
0 |
0 |
0.363 |
| 7 |
9 |
|
[PMP]B:500 |
16 |
1 |
409 |
f |
B |
x,y,z |
1_555 |
38 |
16 |
15856 |
252.3 |
-2.1 |
0.521 |
11 |
0 |
0 |
0.855 |
10 |
|
[PMP]A:500 |
16 |
1 |
403 |
f |
A |
x,y,z |
1_555 |
39 |
16 |
16060 |
249.1 |
-0.9 |
0.609 |
10 |
0 |
0 |
0.855 |
| Average: |
250.7 |
-1.5 |
0.565 |
11 |
0 |
0 |
0.855 |
| 8 |
11 |
|
B |
25 |
10 |
15856 |
x |
B |
x,y,z-1 |
1_554 |
30 |
8 |
15856 |
235.9 |
-0.8 |
0.586 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
A |
25 |
6 |
16060 |
◊ |
C |
-x-1/2,y-1/2,-z |
3_445 |
24 |
6 |
16077 |
219.6 |
1.6 |
0.851 |
7 |
3 |
0 |
0.000 |
| 10 |
13 |
|
B |
23 |
6 |
15856 |
◊ |
C |
-x-1/2,y-1/2,-z |
3_445 |
20 |
6 |
16077 |
196.4 |
-0.3 |
0.664 |
2 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[EDO]D:502 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
20 |
11 |
15576 |
119.5 |
4.2 |
0.767 |
3 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[EDO]C:503 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
16077 |
114.9 |
3.4 |
0.629 |
2 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[EDO]B:505 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
15856 |
113.8 |
3.4 |
0.641 |
2 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[EDO]B:501 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
16 |
9 |
15856 |
104.3 |
3.2 |
0.515 |
3 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[EDO]B:503 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
15856 |
103.6 |
2.9 |
0.520 |
4 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[EDO]B:504 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
15856 |
102.3 |
3.7 |
0.525 |
1 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[EDO]C:501 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
16077 |
89.9 |
1.8 |
0.250 |
3 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[EDO]B:502 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
15856 |
88.2 |
2.3 |
0.292 |
2 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[EDO]D:501 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
13 |
7 |
15576 |
82.9 |
1.8 |
0.401 |
2 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[EDO]A:503 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
16060 |
81.7 |
2.7 |
0.312 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[EDO]A:502 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
16060 |
80.9 |
2.1 |
0.291 |
2 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[EDO]A:501 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
16060 |
79.8 |
1.7 |
0.260 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[EDO]D:501 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
16077 |
68.6 |
1.2 |
0.231 |
1 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[EDO]C:502 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
16077 |
64.9 |
1.9 |
0.857 |
2 |
0 |
0 |
0.000 |
| 25 |
28 |
|
D |
9 |
3 |
15576 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
5 |
2 |
16077 |
61.0 |
-0.4 |
0.498 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[PMP]D:500 |
7 |
1 |
409 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
16077 |
52.9 |
-0.8 |
0.499 |
1 |
0 |
0 |
0.064 |
30 |
|
[PMP]B:500 |
5 |
1 |
409 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
16060 |
47.8 |
-1.0 |
0.456 |
2 |
0 |
0 |
0.064 |
31 |
|
[PMP]A:500 |
6 |
1 |
403 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
15856 |
47.2 |
-0.9 |
0.489 |
1 |
0 |
0 |
0.064 |
| Average: |
49.3 |
-0.9 |
0.481 |
1 |
0 |
0 |
0.064 |
| 27 |
32 |
|
[PMP]C:500 |
7 |
1 |
407 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
15576 |
49.3 |
-0.9 |
0.517 |
1 |
0 |
0 |
0.024 |
| 28 |
33 |
|
A |
5 |
3 |
16060 |
f |
[EDO]C:502 |
-x-1/2,y-1/2,-z |
3_445 |
4 |
1 |
185 |
49.1 |
1.0 |
0.878 |
1 |
0 |
0 |
0.000 |
| 29 |
34 |
|
D |
7 |
4 |
15576 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
8 |
5 |
16060 |
43.2 |
-0.4 |
0.576 |
0 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[EDO]B:503 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
16060 |
36.9 |
1.9 |
0.973 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
A |
3 |
1 |
16060 |
x |
A |
x,y,z-1 |
1_554 |
8 |
3 |
16060 |
32.0 |
1.2 |
0.884 |
0 |
0 |
0 |
0.000 |
| 32 |
37 |
|
B |
3 |
1 |
15856 |
◊ |
C |
-x-1/2,y-1/2,-z-1 |
3_444 |
2 |
2 |
16077 |
25.6 |
0.2 |
0.390 |
0 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[EDO]A:501 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
16077 |
20.2 |
0.4 |
0.729 |
0 |
0 |
0 |
0.000 |
| 34 |
39 |
|
[EDO]B:501 |
1 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
16060 |
16.5 |
0.3 |
0.417 |
0 |
0 |
0 |
0.000 |
| 35 |
40 |
|
B |
1 |
1 |
15856 |
◊ |
C |
x-1/2,-y+1/2,-z-1 |
4_454 |
1 |
1 |
16077 |
9.7 |
0.2 |
0.843 |
0 |
0 |
0 |
0.000 |
| 36 |
41 |
|
[EDO]A:501 |
2 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
15576 |
3.7 |
0.0 |
0.624 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
B |
1 |
1 |
15856 |
◊ |
D |
-x-1/2,y-1/2,-z |
3_445 |
1 |
1 |
15576 |
0.9 |
0.0 |
0.714 |
0 |
0 |
0 |
0.000 |
|