## |
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 |
461 |
118 |
19713 |
◊ |
A |
x,y,z |
1_555 |
463 |
118 |
19809 |
4562.7 |
-40.1 |
0.034 |
70 |
13 |
0 |
0.826 |
2 |
|
C |
463 |
121 |
19751 |
◊ |
C |
-x+1,y,-z |
2_655 |
463 |
120 |
19751 |
4533.0 |
-43.3 |
0.022 |
68 |
14 |
0 |
0.826 |
Average: |
4547.8 |
-41.7 |
0.028 |
69 |
14 |
0 |
0.826 |
2 |
3 |
|
[8UO]C:502 |
28 |
1 |
638 |
f |
C |
x,y,z |
1_555 |
50 |
17 |
19751 |
364.7 |
-3.0 |
0.461 |
5 |
0 |
0 |
0.114 |
4 |
|
[8UO]A:502 |
29 |
1 |
641 |
f |
A |
x,y,z |
1_555 |
44 |
17 |
19809 |
357.4 |
-2.5 |
0.464 |
5 |
0 |
0 |
0.114 |
5 |
|
[8UO]B:502 |
28 |
1 |
640 |
f |
B |
x,y,z |
1_555 |
48 |
17 |
19713 |
353.6 |
-2.6 |
0.499 |
3 |
0 |
0 |
0.114 |
Average: |
358.6 |
-2.7 |
0.474 |
4 |
0 |
0 |
0.114 |
3 |
6 |
|
A |
39 |
14 |
19809 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
31 |
10 |
19809 |
304.0 |
3.5 |
0.836 |
5 |
2 |
0 |
0.000 |
7 |
|
B |
44 |
14 |
19713 |
x |
C |
x-1/2,y+1/2,z |
3_455 |
30 |
9 |
19751 |
291.8 |
3.2 |
0.854 |
5 |
1 |
0 |
0.000 |
8 |
|
C |
42 |
13 |
19751 |
x |
B |
x,y,z |
1_555 |
30 |
10 |
19713 |
290.6 |
2.7 |
0.813 |
5 |
1 |
0 |
0.000 |
Average: |
295.5 |
3.1 |
0.834 |
5 |
1 |
0 |
0.000 |
4 |
9 |
|
C |
32 |
7 |
19751 |
x |
C |
x-1/2,y+1/2,z |
3_455 |
34 |
10 |
19751 |
287.5 |
0.1 |
0.644 |
2 |
4 |
0 |
0.000 |
10 |
|
B |
31 |
8 |
19713 |
x |
B |
x-1/2,y+1/2,z |
3_455 |
28 |
10 |
19713 |
286.5 |
0.4 |
0.641 |
3 |
4 |
0 |
0.000 |
11 |
|
A |
29 |
7 |
19809 |
x |
A |
x,y-1,z |
1_545 |
30 |
9 |
19809 |
274.3 |
-0.5 |
0.571 |
4 |
4 |
0 |
0.000 |
Average: |
282.7 |
-0.0 |
0.619 |
3 |
4 |
0 |
0.000 |
5 |
12 |
|
[8UO]B:502 |
18 |
1 |
640 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
19809 |
164.9 |
-3.4 |
0.389 |
2 |
0 |
0 |
0.096 |
13 |
|
[8UO]A:502 |
18 |
1 |
641 |
◊ |
B |
x,y,z |
1_555 |
19 |
5 |
19713 |
162.3 |
-3.5 |
0.387 |
2 |
0 |
0 |
0.096 |
14 |
|
[8UO]C:502 |
16 |
1 |
638 |
◊ |
C |
-x+1,y,-z |
2_655 |
19 |
5 |
19751 |
149.7 |
-2.3 |
0.441 |
1 |
0 |
0 |
0.096 |
Average: |
159.0 |
-3.1 |
0.406 |
2 |
0 |
0 |
0.096 |
6 |
15 |
|
[CL]C:503 |
1 |
1 |
125 |
x |
C |
x,y,z |
1_555 |
8 |
4 |
19751 |
56.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.224 |
16 |
|
[CL]A:503 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
7 |
4 |
19713 |
50.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.224 |
17 |
|
[CL]A:503 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
8 |
4 |
19809 |
48.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.224 |
Average: |
51.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.224 |
7 |
18 |
|
[CL]C:503 |
1 |
1 |
125 |
f |
[CL]C:503 |
-x+1,y,-z |
2_655 |
1 |
1 |
125 |
47.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.100 |
8 |
19 |
|
B |
4 |
2 |
19713 |
x |
A |
x-1/2,y-1/2,z |
3_445 |
10 |
5 |
19809 |
30.8 |
1.0 |
0.738 |
0 |
0 |
0 |
0.000 |
20 |
|
C |
5 |
3 |
19751 |
x |
C |
-x+1,y-1,-z |
2_645 |
5 |
2 |
19751 |
14.8 |
0.2 |
0.648 |
0 |
0 |
0 |
0.000 |
21 |
|
A |
3 |
2 |
19809 |
x |
B |
x-1/2,y-1/2,z |
3_445 |
5 |
3 |
19713 |
7.7 |
0.0 |
0.636 |
0 |
0 |
0 |
0.000 |
Average: |
17.8 |
0.4 |
0.674 |
0 |
0 |
0 |
0.000 |
9 |
22 |
|
B |
6 |
3 |
19713 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
4 |
4 |
19809 |
27.5 |
0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
23 |
|
A |
5 |
3 |
19809 |
x |
B |
x,y-1,z |
1_545 |
4 |
4 |
19713 |
20.9 |
-0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
24 |
|
C |
2 |
2 |
19751 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
5 |
3 |
19751 |
17.6 |
-0.1 |
0.488 |
0 |
0 |
0 |
0.000 |
Average: |
22.0 |
-0.0 |
0.554 |
0 |
0 |
0 |
0.000 |
|