## |
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 |
189 |
47 |
12531 |
◊ |
A |
x,y,z |
1_555 |
180 |
45 |
12578 |
1861.0 |
-34.4 |
0.011 |
13 |
0 |
0 |
0.496 |
2 |
|
D |
188 |
46 |
12221 |
◊ |
B |
x,y,z |
1_555 |
180 |
47 |
12298 |
1845.3 |
-35.8 |
0.006 |
10 |
0 |
0 |
0.496 |
Average: |
1853.2 |
-35.1 |
0.008 |
12 |
0 |
0 |
0.496 |
2 |
3 |
|
B |
157 |
39 |
12298 |
◊ |
A |
x,y,z |
1_555 |
153 |
39 |
12578 |
1385.9 |
-22.1 |
0.113 |
11 |
0 |
0 |
0.410 |
4 |
|
D |
153 |
39 |
12221 |
◊ |
C |
x,y,z |
1_555 |
157 |
39 |
12531 |
1377.6 |
-22.4 |
0.100 |
9 |
0 |
0 |
0.410 |
Average: |
1381.8 |
-22.3 |
0.106 |
10 |
0 |
0 |
0.410 |
3 |
5 |
|
[NDP]D:301 |
45 |
1 |
887 |
f |
D |
x,y,z |
1_555 |
88 |
34 |
12221 |
590.1 |
-0.7 |
0.730 |
16 |
0 |
0 |
0.232 |
6 |
|
[NDP]A:301 |
45 |
1 |
885 |
f |
A |
x,y,z |
1_555 |
89 |
34 |
12578 |
588.4 |
-0.8 |
0.729 |
15 |
0 |
0 |
0.232 |
7 |
|
[NDP]C:301 |
45 |
1 |
882 |
f |
C |
x,y,z |
1_555 |
83 |
34 |
12531 |
586.9 |
-1.2 |
0.724 |
16 |
0 |
0 |
0.232 |
8 |
|
[NDP]B:301 |
45 |
1 |
883 |
f |
B |
x,y,z |
1_555 |
86 |
34 |
12298 |
585.1 |
-0.7 |
0.747 |
16 |
0 |
0 |
0.232 |
Average: |
587.6 |
-0.8 |
0.732 |
16 |
0 |
0 |
0.232 |
4 |
9 |
|
D |
63 |
16 |
12221 |
◊ |
A |
x,y,z |
1_555 |
58 |
16 |
12578 |
550.8 |
-5.4 |
0.458 |
1 |
0 |
0 |
0.054 |
10 |
|
C |
57 |
15 |
12531 |
◊ |
B |
x,y,z |
1_555 |
59 |
16 |
12298 |
547.2 |
-5.5 |
0.461 |
2 |
0 |
0 |
0.054 |
Average: |
549.0 |
-5.5 |
0.459 |
2 |
0 |
0 |
0.054 |
5 |
11 |
|
B |
48 |
15 |
12298 |
◊ |
C |
x-1,y,z-1 |
1_454 |
48 |
17 |
12531 |
402.6 |
-3.2 |
0.583 |
4 |
0 |
0 |
0.035 |
6 |
12 |
|
A |
44 |
16 |
12578 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
44 |
12 |
12298 |
382.7 |
0.6 |
0.855 |
5 |
5 |
0 |
0.000 |
13 |
|
D |
25 |
9 |
12221 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
28 |
9 |
12531 |
214.2 |
1.4 |
0.848 |
2 |
1 |
0 |
0.000 |
Average: |
298.5 |
1.0 |
0.851 |
4 |
3 |
0 |
0.000 |
7 |
14 |
|
[WHF]B:302 |
15 |
1 |
415 |
f |
B |
x,y,z |
1_555 |
41 |
16 |
12298 |
255.6 |
-6.7 |
0.406 |
3 |
0 |
0 |
0.245 |
15 |
|
[WHF]A:302 |
15 |
1 |
414 |
f |
A |
x,y,z |
1_555 |
44 |
17 |
12578 |
252.1 |
-6.8 |
0.421 |
3 |
0 |
0 |
0.245 |
16 |
|
[WHF]C:302 |
15 |
1 |
415 |
f |
C |
x,y,z |
1_555 |
38 |
16 |
12531 |
251.8 |
-6.8 |
0.373 |
3 |
0 |
0 |
0.245 |
17 |
|
[WHF]D:302 |
15 |
1 |
413 |
f |
D |
x,y,z |
1_555 |
39 |
17 |
12221 |
244.4 |
-6.6 |
0.374 |
3 |
0 |
0 |
0.245 |
Average: |
251.0 |
-6.7 |
0.394 |
3 |
0 |
0 |
0.245 |
8 |
18 |
|
D |
29 |
7 |
12221 |
◊ |
A |
x-1,y,z |
1_455 |
27 |
7 |
12578 |
254.9 |
-2.9 |
0.431 |
2 |
0 |
0 |
0.000 |
9 |
19 |
|
[ACT]D:1269 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
12221 |
114.9 |
-0.4 |
0.716 |
3 |
0 |
0 |
0.026 |
10 |
20 |
|
[WHF]D:302 |
11 |
1 |
413 |
f |
[NDP]D:301 |
x,y,z |
1_555 |
15 |
1 |
887 |
109.6 |
-3.3 |
0.436 |
1 |
0 |
0 |
0.115 |
21 |
|
[WHF]B:302 |
11 |
1 |
415 |
f |
[NDP]B:301 |
x,y,z |
1_555 |
15 |
1 |
883 |
108.5 |
-3.4 |
0.442 |
1 |
0 |
0 |
0.115 |
22 |
|
[WHF]A:302 |
11 |
1 |
414 |
f |
[NDP]A:301 |
x,y,z |
1_555 |
15 |
1 |
885 |
108.1 |
-3.3 |
0.445 |
1 |
0 |
0 |
0.115 |
23 |
|
[WHF]C:302 |
10 |
1 |
415 |
f |
[NDP]C:301 |
x,y,z |
1_555 |
15 |
1 |
882 |
106.2 |
-3.2 |
0.456 |
1 |
0 |
0 |
0.115 |
Average: |
108.1 |
-3.3 |
0.445 |
1 |
0 |
0 |
0.115 |
11 |
24 |
|
B |
13 |
3 |
12298 |
◊ |
D |
x,y,z-1 |
1_554 |
7 |
3 |
12221 |
90.1 |
0.5 |
0.791 |
2 |
0 |
0 |
0.000 |
12 |
25 |
|
[ACT]B:1269 |
4 |
1 |
184 |
f |
C |
x-1,y,z-1 |
1_454 |
13 |
7 |
12531 |
83.6 |
-1.1 |
0.559 |
1 |
0 |
0 |
0.023 |
13 |
26 |
|
[ACT]B:1269 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
6 |
12298 |
71.1 |
-0.6 |
0.576 |
1 |
0 |
0 |
0.008 |
14 |
27 |
|
[ACT]D:1269 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
12298 |
31.6 |
-0.5 |
0.379 |
0 |
0 |
0 |
0.007 |
15 |
28 |
|
A |
3 |
2 |
12578 |
◊ |
C |
x,y,z-1 |
1_554 |
6 |
3 |
12531 |
28.6 |
-0.1 |
0.615 |
0 |
0 |
0 |
0.000 |
16 |
29 |
|
D |
3 |
2 |
12221 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
2 |
12531 |
20.1 |
0.3 |
0.757 |
0 |
0 |
0 |
0.000 |
30 |
|
B |
2 |
2 |
12298 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
3 |
12578 |
13.8 |
0.2 |
0.738 |
0 |
0 |
0 |
0.000 |
Average: |
17.0 |
0.3 |
0.748 |
0 |
0 |
0 |
0.000 |
17 |
31 |
|
[WHF]C:302 |
1 |
1 |
415 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
12298 |
4.8 |
-0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
32 |
|
[WHF]D:302 |
1 |
1 |
413 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12578 |
2.1 |
-0.1 |
0.649 |
0 |
0 |
0 |
0.000 |
33 |
|
[WHF]B:302 |
1 |
1 |
415 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
12531 |
0.2 |
-0.0 |
0.665 |
0 |
0 |
0 |
0.000 |
Average: |
2.4 |
-0.1 |
0.662 |
0 |
0 |
0 |
0.001 |
18 |
34 |
|
[WHF]A:302 |
2 |
1 |
414 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
12221 |
2.7 |
-0.1 |
0.651 |
0 |
0 |
0 |
0.000 |
19 |
35 |
|
A |
1 |
1 |
12578 |
x |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
12578 |
1.4 |
0.0 |
0.735 |
0 |
0 |
0 |
0.000 |
|