| ## |
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 |
|
C |
71 |
20 |
6291 |
◊ |
B |
x,y,z |
1_555 |
70 |
19 |
6561 |
707.5 |
-10.4 |
0.144 |
8 |
0 |
0 |
0.478 |
2 |
|
A |
70 |
20 |
6595 |
◊ |
A |
x-y,-y,-z+2/3 |
5_555 |
70 |
20 |
6595 |
668.8 |
-9.7 |
0.153 |
4 |
0 |
0 |
0.478 |
| Average: |
688.1 |
-10.0 |
0.149 |
6 |
0 |
0 |
0.478 |
| 2 |
3 |
|
[C2E]B:202 |
42 |
1 |
771 |
f |
B |
x,y,z |
1_555 |
59 |
18 |
6561 |
384.9 |
-1.3 |
0.621 |
9 |
0 |
0 |
0.414 |
4 |
|
[C2E]C:202 |
37 |
1 |
767 |
f |
C |
x,y,z |
1_555 |
59 |
18 |
6291 |
356.7 |
-2.8 |
0.557 |
9 |
0 |
0 |
0.414 |
| Average: |
370.8 |
-2.0 |
0.589 |
9 |
0 |
0 |
0.414 |
| 3 |
5 |
|
[C2E]A:202 |
40 |
1 |
767 |
f |
A |
x,y,z |
1_555 |
60 |
19 |
6595 |
366.5 |
-0.3 |
0.729 |
9 |
0 |
0 |
0.313 |
| 4 |
6 |
|
A |
37 |
13 |
6595 |
◊ |
A |
y+1,x-1,-z+1 |
4_646 |
37 |
13 |
6595 |
344.3 |
1.8 |
0.805 |
6 |
0 |
0 |
0.000 |
7 |
|
C |
39 |
14 |
6291 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
40 |
13 |
6561 |
340.4 |
3.0 |
0.890 |
6 |
0 |
0 |
0.000 |
| Average: |
342.4 |
2.4 |
0.848 |
6 |
0 |
0 |
0.000 |
| 5 |
8 |
|
C |
31 |
9 |
6291 |
◊ |
A |
x-1,y,z |
1_455 |
37 |
11 |
6595 |
314.9 |
-1.4 |
0.576 |
4 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[C2E]A:201 |
35 |
1 |
762 |
f |
A |
x,y,z |
1_555 |
32 |
11 |
6595 |
288.4 |
0.7 |
0.781 |
4 |
0 |
0 |
0.077 |
| 7 |
10 |
|
[C2E]B:201 |
32 |
1 |
773 |
f |
B |
x,y,z |
1_555 |
30 |
10 |
6561 |
286.0 |
2.8 |
0.833 |
5 |
0 |
0 |
0.006 |
11 |
|
[C2E]C:201 |
33 |
1 |
768 |
f |
C |
x,y,z |
1_555 |
26 |
9 |
6291 |
245.9 |
0.9 |
0.809 |
3 |
0 |
0 |
0.006 |
| Average: |
265.9 |
1.9 |
0.821 |
4 |
0 |
0 |
0.006 |
| 8 |
12 |
|
B |
24 |
6 |
6561 |
◊ |
A |
x-y,-y,-z+2/3 |
5_555 |
30 |
10 |
6595 |
233.6 |
-1.6 |
0.498 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
C |
30 |
9 |
6291 |
◊ |
A |
x,y,z |
1_555 |
29 |
9 |
6595 |
225.2 |
-1.7 |
0.558 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[C2E]A:202 |
24 |
1 |
767 |
f |
[C2E]A:201 |
x,y,z |
1_555 |
26 |
1 |
762 |
203.0 |
-1.8 |
0.575 |
2 |
0 |
0 |
0.195 |
| 11 |
15 |
|
[C2E]C:202 |
23 |
1 |
767 |
f |
[C2E]C:201 |
x,y,z |
1_555 |
24 |
1 |
768 |
197.9 |
-2.2 |
0.560 |
3 |
0 |
0 |
0.226 |
16 |
|
[C2E]B:202 |
23 |
1 |
771 |
f |
[C2E]B:201 |
x,y,z |
1_555 |
26 |
1 |
773 |
192.4 |
-2.2 |
0.570 |
2 |
0 |
0 |
0.226 |
| Average: |
195.2 |
-2.2 |
0.565 |
3 |
0 |
0 |
0.226 |
| 12 |
17 |
|
B |
11 |
4 |
6561 |
◊ |
A |
x-1,y,z |
1_455 |
17 |
6 |
6595 |
137.6 |
-1.4 |
0.381 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
C |
13 |
5 |
6291 |
◊ |
[C2E]B:202 |
-y+1,x-y,z+1/3 |
2_655 |
10 |
1 |
771 |
86.9 |
-0.5 |
0.553 |
0 |
0 |
0 |
0.000 |
19 |
|
[C2E]C:202 |
10 |
1 |
767 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
14 |
5 |
6561 |
86.1 |
-0.5 |
0.544 |
0 |
0 |
0 |
0.000 |
| Average: |
86.5 |
-0.5 |
0.548 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[EDO]C:204 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
6291 |
84.6 |
2.2 |
0.298 |
2 |
0 |
0 |
0.000 |
| 15 |
21 |
|
[EDO]C:203 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
6291 |
81.8 |
2.0 |
0.284 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[C2E]A:202 |
9 |
1 |
767 |
◊ |
A |
y+1,x-1,-z+1 |
4_646 |
11 |
5 |
6595 |
74.4 |
-2.0 |
0.386 |
0 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[C2E]A:201 |
7 |
1 |
762 |
◊ |
[C2E]A:201 |
y+1,x-1,-z+1 |
4_646 |
7 |
1 |
762 |
71.1 |
-0.7 |
0.516 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[C2E]B:201 |
10 |
1 |
773 |
◊ |
A |
x-y,-y+1,-z+2/3 |
5_565 |
9 |
4 |
6595 |
67.7 |
-1.0 |
0.546 |
1 |
0 |
0 |
0.000 |
| 19 |
25 |
|
C |
8 |
3 |
6291 |
◊ |
C |
y,x,-z+1 |
4_556 |
8 |
3 |
6291 |
57.7 |
-0.6 |
0.545 |
0 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[C2E]C:201 |
9 |
1 |
768 |
◊ |
[C2E]A:201 |
y,x-1,-z+1 |
4_546 |
6 |
1 |
762 |
55.1 |
0.2 |
0.576 |
0 |
0 |
0 |
0.000 |
| 21 |
27 |
|
B |
3 |
2 |
6561 |
◊ |
B |
x-y,-y,-z+2/3 |
5_555 |
3 |
2 |
6561 |
51.8 |
0.3 |
0.766 |
0 |
0 |
0 |
0.000 |
| 22 |
28 |
|
[C2E]C:201 |
6 |
1 |
768 |
◊ |
[C2E]B:201 |
-y+1,x-y,z+1/3 |
2_655 |
8 |
1 |
773 |
49.4 |
-2.1 |
0.382 |
0 |
0 |
0 |
0.000 |
| 23 |
29 |
|
C |
6 |
2 |
6291 |
◊ |
[C2E]A:201 |
x-1,y,z |
1_455 |
7 |
1 |
762 |
46.4 |
0.3 |
0.562 |
1 |
0 |
0 |
0.000 |
| 24 |
30 |
|
B |
5 |
1 |
6561 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6595 |
43.7 |
2.0 |
0.926 |
0 |
0 |
0 |
0.000 |
| 25 |
31 |
|
[C2E]C:201 |
9 |
1 |
768 |
◊ |
A |
y,x-1,-z+1 |
4_546 |
3 |
2 |
6595 |
41.8 |
1.4 |
0.782 |
2 |
0 |
0 |
0.000 |
| 26 |
32 |
|
[C2E]C:201 |
7 |
1 |
768 |
◊ |
[C2E]B:202 |
-y+1,x-y,z+1/3 |
2_655 |
4 |
1 |
771 |
38.8 |
-1.2 |
0.435 |
2 |
0 |
0 |
0.000 |
33 |
|
[C2E]C:202 |
2 |
1 |
767 |
◊ |
[C2E]B:201 |
-y+1,x-y,z+1/3 |
2_655 |
8 |
1 |
773 |
33.3 |
-0.6 |
0.526 |
1 |
0 |
0 |
0.000 |
| Average: |
36.0 |
-0.9 |
0.481 |
2 |
0 |
0 |
0.000 |
| 27 |
34 |
|
[C2E]A:202 |
3 |
1 |
767 |
◊ |
[C2E]A:201 |
y+1,x-1,-z+1 |
4_646 |
7 |
1 |
762 |
34.4 |
-0.6 |
0.504 |
1 |
0 |
0 |
0.000 |
| 28 |
35 |
|
B |
3 |
1 |
6561 |
x |
B |
x-y,-y+1,-z+2/3 |
5_565 |
4 |
1 |
6561 |
33.7 |
0.6 |
0.457 |
0 |
0 |
0 |
0.000 |
| 29 |
36 |
|
C |
5 |
3 |
6291 |
◊ |
A |
y+1,x-1,-z+1 |
4_646 |
2 |
2 |
6595 |
26.8 |
-0.6 |
0.320 |
0 |
0 |
0 |
0.000 |
| 30 |
37 |
|
[C2E]A:202 |
1 |
1 |
767 |
◊ |
[C2E]A:202 |
y+1,x-1,-z+1 |
4_646 |
1 |
1 |
767 |
24.9 |
0.6 |
0.696 |
0 |
0 |
0 |
0.000 |
| 31 |
38 |
|
[C2E]C:202 |
2 |
1 |
767 |
◊ |
[C2E]B:202 |
-y+1,x-y,z+1/3 |
2_655 |
1 |
1 |
771 |
22.7 |
0.5 |
0.639 |
0 |
0 |
0 |
0.000 |
| 32 |
39 |
|
[C2E]A:201 |
2 |
1 |
762 |
◊ |
A |
y+1,x-1,-z+1 |
4_646 |
5 |
2 |
6595 |
22.6 |
-0.1 |
0.479 |
0 |
0 |
0 |
0.000 |
| 33 |
40 |
|
C |
2 |
1 |
6291 |
◊ |
[C2E]A:201 |
y,x-1,-z+1 |
4_546 |
4 |
1 |
762 |
21.3 |
-0.0 |
0.619 |
0 |
0 |
0 |
0.000 |
| 34 |
41 |
|
[C2E]C:201 |
2 |
1 |
768 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
2 |
2 |
6561 |
14.8 |
-0.1 |
0.388 |
0 |
0 |
0 |
0.000 |
42 |
|
C |
1 |
1 |
6291 |
◊ |
[C2E]B:201 |
-y+1,x-y,z+1/3 |
2_655 |
1 |
1 |
773 |
10.1 |
-0.0 |
0.367 |
0 |
0 |
0 |
0.000 |
| Average: |
12.5 |
-0.1 |
0.377 |
0 |
0 |
0 |
0.000 |
| 35 |
43 |
|
B |
3 |
2 |
6561 |
◊ |
A |
x-y,-y+1,-z+2/3 |
5_565 |
2 |
2 |
6595 |
11.9 |
0.3 |
0.727 |
0 |
0 |
0 |
0.000 |
| 36 |
44 |
|
A |
2 |
1 |
6595 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
6561 |
10.1 |
0.4 |
0.841 |
0 |
0 |
0 |
0.000 |
| 37 |
45 |
|
[C2E]A:202 |
2 |
1 |
767 |
◊ |
C |
y+1,x-1,-z+1 |
4_646 |
1 |
1 |
6291 |
5.7 |
0.0 |
0.389 |
0 |
0 |
0 |
0.000 |
| 38 |
46 |
|
A |
2 |
2 |
6595 |
◊ |
C |
y,x-1,-z+1 |
4_546 |
2 |
2 |
6291 |
5.4 |
-0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
| 39 |
47 |
|
C |
1 |
1 |
6291 |
◊ |
A |
y,x-1,-z+1 |
4_546 |
3 |
2 |
6595 |
2.4 |
-0.1 |
0.503 |
0 |
0 |
0 |
0.000 |
|