| ## |
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 |
57 |
18 |
15075 |
◊ |
C |
x,-y,-z |
4_555 |
57 |
18 |
15075 |
595.8 |
0.7 |
0.682 |
8 |
0 |
0 |
0.000 |
2 |
|
A |
59 |
20 |
14747 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
59 |
20 |
14747 |
594.2 |
0.8 |
0.656 |
8 |
0 |
0 |
0.000 |
| Average: |
595.0 |
0.7 |
0.669 |
8 |
0 |
0 |
0.000 |
| 2 |
3 |
|
D |
61 |
16 |
14562 |
◊ |
C |
x,y,z |
1_555 |
65 |
16 |
15075 |
506.9 |
6.9 |
0.951 |
16 |
0 |
0 |
0.000 |
4 |
|
B |
60 |
16 |
14766 |
◊ |
A |
x,y,z |
1_555 |
59 |
14 |
14747 |
492.8 |
5.7 |
0.914 |
13 |
0 |
0 |
0.000 |
| Average: |
499.9 |
6.3 |
0.933 |
15 |
0 |
0 |
0.000 |
| 3 |
5 |
|
B |
50 |
17 |
14766 |
◊ |
D |
x-1/2,y+1/2,z |
5_455 |
46 |
16 |
14562 |
408.2 |
-0.8 |
0.499 |
4 |
4 |
0 |
0.000 |
6 |
|
D |
45 |
14 |
14562 |
◊ |
B |
x,y-1,z |
1_545 |
38 |
16 |
14766 |
317.8 |
-1.4 |
0.424 |
1 |
0 |
0 |
0.000 |
| Average: |
363.0 |
-1.1 |
0.462 |
3 |
2 |
0 |
0.000 |
| 4 |
7 |
|
B |
34 |
12 |
14766 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
36 |
13 |
14747 |
324.9 |
4.0 |
0.892 |
6 |
7 |
0 |
0.000 |
8 |
|
C |
31 |
11 |
15075 |
◊ |
D |
x-1/2,y+1/2,z |
5_455 |
28 |
14 |
14562 |
237.8 |
1.9 |
0.780 |
2 |
1 |
0 |
0.000 |
| Average: |
281.4 |
3.0 |
0.836 |
4 |
4 |
0 |
0.000 |
| 5 |
9 |
|
C |
15 |
3 |
15075 |
◊ |
B |
x,y,z |
1_555 |
25 |
9 |
14766 |
194.0 |
-2.9 |
0.133 |
3 |
1 |
0 |
0.000 |
| 6 |
10 |
|
[XYP]D:405 |
10 |
1 |
269 |
f |
D |
x,y,z |
1_555 |
26 |
12 |
14562 |
173.8 |
-2.9 |
0.699 |
3 |
0 |
0 |
0.021 |
11 |
|
[XYP]B:405 |
10 |
1 |
268 |
f |
B |
x,y,z |
1_555 |
27 |
12 |
14766 |
172.8 |
-2.9 |
0.695 |
3 |
0 |
0 |
0.021 |
12 |
|
[XYP]C:405 |
10 |
1 |
268 |
f |
C |
x,y,z |
1_555 |
26 |
12 |
15075 |
169.1 |
-2.8 |
0.703 |
3 |
0 |
0 |
0.021 |
13 |
|
[XYP]A:405 |
10 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
26 |
12 |
14747 |
168.7 |
-2.9 |
0.674 |
3 |
0 |
0 |
0.021 |
| Average: |
171.1 |
-2.9 |
0.693 |
3 |
0 |
0 |
0.021 |
| 7 |
14 |
|
C |
20 |
7 |
15075 |
x |
C |
x-1/2,-y-1/2,-z |
8_445 |
18 |
5 |
15075 |
169.9 |
0.2 |
0.624 |
1 |
4 |
0 |
0.000 |
15 |
|
A |
21 |
7 |
14747 |
x |
A |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
18 |
5 |
14747 |
155.5 |
1.0 |
0.690 |
1 |
1 |
0 |
0.000 |
| Average: |
162.7 |
0.6 |
0.657 |
1 |
3 |
0 |
0.000 |
| 8 |
16 |
|
[XYP]D:404 |
9 |
1 |
263 |
f |
D |
x,y,z |
1_555 |
29 |
12 |
14562 |
140.1 |
-3.3 |
0.588 |
4 |
0 |
0 |
0.025 |
17 |
|
[XYP]A:404 |
9 |
1 |
262 |
f |
A |
x,y,z |
1_555 |
28 |
12 |
14747 |
139.2 |
-3.3 |
0.590 |
4 |
0 |
0 |
0.025 |
18 |
|
[XYP]C:404 |
9 |
1 |
261 |
f |
C |
x,y,z |
1_555 |
29 |
12 |
15075 |
138.6 |
-3.1 |
0.619 |
4 |
0 |
0 |
0.025 |
19 |
|
[XYP]B:404 |
9 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
29 |
12 |
14766 |
138.4 |
-3.3 |
0.578 |
4 |
0 |
0 |
0.025 |
| Average: |
139.1 |
-3.3 |
0.594 |
4 |
0 |
0 |
0.025 |
| 9 |
20 |
|
[XYP]A:402 |
9 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
30 |
11 |
14747 |
121.7 |
-2.4 |
0.441 |
0 |
0 |
0 |
0.012 |
21 |
|
[XYP]B:402 |
9 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
30 |
11 |
14766 |
120.3 |
-2.3 |
0.441 |
0 |
0 |
0 |
0.012 |
22 |
|
[XYP]D:402 |
9 |
1 |
263 |
f |
D |
x,y,z |
1_555 |
30 |
11 |
14562 |
120.0 |
-2.3 |
0.440 |
0 |
0 |
0 |
0.012 |
23 |
|
[XYP]C:402 |
9 |
1 |
263 |
f |
C |
x,y,z |
1_555 |
30 |
11 |
15075 |
119.9 |
-2.4 |
0.457 |
0 |
0 |
0 |
0.012 |
| Average: |
120.5 |
-2.4 |
0.445 |
0 |
0 |
0 |
0.012 |
| 10 |
24 |
|
D |
15 |
5 |
14562 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
14766 |
118.6 |
-0.5 |
0.288 |
1 |
0 |
0 |
0.000 |
25 |
|
D |
12 |
4 |
14562 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
16 |
5 |
14766 |
109.8 |
-0.4 |
0.335 |
1 |
0 |
0 |
0.000 |
| Average: |
114.2 |
-0.5 |
0.312 |
1 |
0 |
0 |
0.000 |
| 11 |
26 |
|
[XYP]B:403 |
7 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
14766 |
112.1 |
-2.9 |
0.439 |
0 |
0 |
0 |
0.015 |
27 |
|
[XYP]A:403 |
7 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
14747 |
111.9 |
-2.9 |
0.435 |
0 |
0 |
0 |
0.015 |
28 |
|
[XYP]C:403 |
7 |
1 |
256 |
f |
C |
x,y,z |
1_555 |
22 |
10 |
15075 |
111.7 |
-2.9 |
0.460 |
0 |
0 |
0 |
0.015 |
29 |
|
[XYP]D:403 |
7 |
1 |
255 |
f |
D |
x,y,z |
1_555 |
22 |
10 |
14562 |
111.2 |
-3.0 |
0.437 |
0 |
0 |
0 |
0.015 |
| Average: |
111.7 |
-2.9 |
0.443 |
0 |
0 |
0 |
0.015 |
| 12 |
30 |
|
B |
13 |
4 |
14766 |
x |
B |
x-1/2,y+1/2,z |
5_455 |
14 |
3 |
14766 |
107.7 |
0.8 |
0.683 |
2 |
0 |
0 |
0.000 |
31 |
|
C |
9 |
3 |
15075 |
x |
C |
x-1/2,y+1/2,z |
5_455 |
8 |
3 |
15075 |
80.4 |
-0.2 |
0.525 |
2 |
0 |
0 |
0.000 |
32 |
|
D |
9 |
3 |
14562 |
x |
D |
x-1/2,y+1/2,z |
5_455 |
8 |
3 |
14562 |
69.0 |
-0.1 |
0.534 |
0 |
0 |
0 |
0.000 |
33 |
|
A |
10 |
3 |
14747 |
x |
A |
x-1/2,y+1/2,z |
5_455 |
9 |
3 |
14747 |
64.3 |
-0.2 |
0.529 |
0 |
0 |
0 |
0.000 |
| Average: |
80.4 |
0.1 |
0.568 |
1 |
0 |
0 |
0.000 |
| 13 |
34 |
|
[AHR]A:401 |
9 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
14747 |
92.8 |
0.2 |
0.426 |
1 |
0 |
0 |
0.001 |
35 |
|
[AHR]C:401 |
9 |
1 |
267 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
15075 |
91.9 |
0.3 |
0.455 |
1 |
0 |
0 |
0.001 |
36 |
|
[AHR]B:401 |
8 |
1 |
268 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
14766 |
91.7 |
0.2 |
0.453 |
1 |
0 |
0 |
0.001 |
37 |
|
[AHR]D:401 |
9 |
1 |
268 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
14562 |
91.6 |
0.2 |
0.430 |
1 |
0 |
0 |
0.001 |
| Average: |
92.0 |
0.2 |
0.441 |
1 |
0 |
0 |
0.001 |
| 14 |
38 |
|
D |
7 |
3 |
14562 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
9 |
3 |
15075 |
55.6 |
-0.3 |
0.468 |
0 |
0 |
0 |
0.000 |
39 |
|
B |
5 |
2 |
14766 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
7 |
2 |
14747 |
51.1 |
-0.3 |
0.437 |
0 |
0 |
0 |
0.000 |
| Average: |
53.4 |
-0.3 |
0.453 |
0 |
0 |
0 |
0.000 |
| 15 |
40 |
|
[XYP]B:403 |
6 |
1 |
257 |
f |
[AHR]B:401 |
x,y,z |
1_555 |
3 |
1 |
268 |
51.2 |
-0.9 |
0.618 |
0 |
0 |
0 |
0.005 |
41 |
|
[XYP]D:403 |
6 |
1 |
255 |
f |
[AHR]D:401 |
x,y,z |
1_555 |
3 |
1 |
268 |
50.7 |
-0.9 |
0.599 |
0 |
0 |
0 |
0.005 |
42 |
|
[XYP]C:403 |
6 |
1 |
256 |
f |
[AHR]C:401 |
x,y,z |
1_555 |
3 |
1 |
267 |
50.1 |
-0.9 |
0.599 |
0 |
0 |
0 |
0.005 |
43 |
|
[XYP]A:403 |
6 |
1 |
256 |
f |
[AHR]A:401 |
x,y,z |
1_555 |
3 |
1 |
267 |
49.7 |
-0.9 |
0.601 |
0 |
0 |
0 |
0.005 |
| Average: |
50.4 |
-0.9 |
0.604 |
0 |
0 |
0 |
0.005 |
| 16 |
44 |
|
[XYP]C:403 |
5 |
1 |
256 |
cf |
[XYP]C:402 |
x,y,z |
1_555 |
5 |
1 |
263 |
49.6 |
-1.8 |
0.759 |
0 |
0 |
0 |
0.009 |
45 |
|
[XYP]A:403 |
5 |
1 |
256 |
cf |
[XYP]A:402 |
x,y,z |
1_555 |
5 |
1 |
263 |
49.4 |
-1.8 |
0.748 |
0 |
0 |
0 |
0.009 |
46 |
|
[XYP]D:403 |
5 |
1 |
255 |
cf |
[XYP]D:402 |
x,y,z |
1_555 |
5 |
1 |
263 |
49.4 |
-1.8 |
0.759 |
0 |
0 |
0 |
0.009 |
47 |
|
[XYP]B:403 |
5 |
1 |
257 |
cf |
[XYP]B:402 |
x,y,z |
1_555 |
5 |
1 |
264 |
49.2 |
-1.8 |
0.748 |
0 |
0 |
0 |
0.009 |
| Average: |
49.4 |
-1.8 |
0.753 |
0 |
0 |
0 |
0.009 |
| 17 |
48 |
|
[XYP]B:405 |
4 |
1 |
268 |
cf |
[XYP]B:404 |
x,y,z |
1_555 |
5 |
1 |
261 |
48.6 |
-1.4 |
0.776 |
0 |
0 |
0 |
0.007 |
49 |
|
[XYP]D:405 |
5 |
1 |
269 |
cf |
[XYP]D:404 |
x,y,z |
1_555 |
5 |
1 |
263 |
48.3 |
-1.4 |
0.787 |
0 |
0 |
0 |
0.007 |
50 |
|
[XYP]C:405 |
5 |
1 |
268 |
cf |
[XYP]C:404 |
x,y,z |
1_555 |
5 |
1 |
261 |
47.2 |
-1.4 |
0.787 |
0 |
0 |
0 |
0.007 |
51 |
|
[XYP]A:405 |
4 |
1 |
268 |
cf |
[XYP]A:404 |
x,y,z |
1_555 |
5 |
1 |
262 |
47.0 |
-1.5 |
0.776 |
0 |
0 |
0 |
0.007 |
| Average: |
47.8 |
-1.4 |
0.782 |
0 |
0 |
0 |
0.007 |
| 18 |
52 |
|
[XYP]D:402 |
4 |
1 |
263 |
cf |
[AHR]D:401 |
x,y,z |
1_555 |
6 |
1 |
268 |
48.2 |
-0.5 |
0.533 |
0 |
0 |
0 |
0.003 |
53 |
|
[XYP]C:402 |
5 |
1 |
263 |
cf |
[AHR]C:401 |
x,y,z |
1_555 |
6 |
1 |
267 |
47.9 |
-0.5 |
0.614 |
0 |
0 |
0 |
0.003 |
54 |
|
[XYP]A:402 |
4 |
1 |
263 |
cf |
[AHR]A:401 |
x,y,z |
1_555 |
6 |
1 |
267 |
47.8 |
-0.5 |
0.533 |
0 |
0 |
0 |
0.003 |
55 |
|
[XYP]B:402 |
5 |
1 |
264 |
cf |
[AHR]B:401 |
x,y,z |
1_555 |
6 |
1 |
268 |
47.3 |
-0.5 |
0.598 |
0 |
0 |
0 |
0.003 |
| Average: |
47.8 |
-0.5 |
0.569 |
0 |
0 |
0 |
0.003 |
| 19 |
56 |
|
[XYP]C:404 |
5 |
1 |
261 |
cf |
[XYP]C:402 |
x,y,z |
1_555 |
4 |
1 |
263 |
43.4 |
-0.9 |
0.781 |
0 |
0 |
0 |
0.004 |
57 |
|
[XYP]A:404 |
5 |
1 |
262 |
cf |
[XYP]A:402 |
x,y,z |
1_555 |
4 |
1 |
263 |
43.3 |
-0.9 |
0.753 |
0 |
0 |
0 |
0.004 |
58 |
|
[XYP]D:404 |
5 |
1 |
263 |
cf |
[XYP]D:402 |
x,y,z |
1_555 |
4 |
1 |
263 |
42.9 |
-0.9 |
0.753 |
0 |
0 |
0 |
0.004 |
59 |
|
[XYP]B:404 |
5 |
1 |
261 |
cf |
[XYP]B:402 |
x,y,z |
1_555 |
4 |
1 |
264 |
42.9 |
-0.9 |
0.753 |
0 |
0 |
0 |
0.004 |
| Average: |
43.1 |
-0.9 |
0.760 |
0 |
0 |
0 |
0.004 |
| 20 |
60 |
|
A |
3 |
1 |
14747 |
◊ |
A |
-x-1,y,-z+1/2 |
3_455 |
3 |
1 |
14747 |
32.5 |
0.6 |
0.819 |
0 |
0 |
0 |
0.000 |
| 21 |
61 |
|
[AHR]D:401 |
3 |
1 |
268 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
3 |
1 |
14766 |
27.1 |
0.5 |
0.428 |
0 |
0 |
0 |
0.000 |
62 |
|
[AHR]B:401 |
3 |
1 |
268 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
14562 |
26.2 |
0.4 |
0.411 |
0 |
0 |
0 |
0.000 |
| Average: |
26.6 |
0.5 |
0.420 |
0 |
0 |
0 |
0.000 |
| 22 |
63 |
|
[XYP]A:405 |
1 |
1 |
268 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
14747 |
11.3 |
-0.1 |
0.679 |
0 |
0 |
0 |
0.000 |
64 |
|
[XYP]C:405 |
1 |
1 |
268 |
◊ |
C |
x,-y,-z |
4_555 |
2 |
1 |
15075 |
9.4 |
-0.1 |
0.777 |
0 |
0 |
0 |
0.000 |
| Average: |
10.3 |
-0.1 |
0.728 |
0 |
0 |
0 |
0.000 |
|