## |
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 |
72 |
21 |
7870 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
71 |
21 |
8273 |
688.1 |
-4.3 |
0.490 |
9 |
0 |
0 |
0.036 |
2 |
2 |
|
A |
63 |
15 |
8273 |
◊ |
B |
-x+3/2,y-1/2,-z+1/4 |
5_645 |
67 |
16 |
7870 |
541.4 |
-3.9 |
0.508 |
6 |
5 |
0 |
0.000 |
3 |
3 |
|
[5MR]A:501 |
38 |
1 |
780 |
f |
A |
x,y,z |
1_555 |
72 |
22 |
8273 |
482.7 |
-6.1 |
0.511 |
9 |
0 |
0 |
0.084 |
4 |
|
[5MR]B:502 |
37 |
1 |
761 |
f |
B |
x,y,z |
1_555 |
65 |
21 |
7870 |
449.1 |
-5.2 |
0.545 |
8 |
0 |
0 |
0.084 |
Average: |
465.9 |
-5.6 |
0.528 |
9 |
0 |
0 |
0.084 |
4 |
5 |
|
B |
55 |
17 |
7870 |
◊ |
A |
x,y,z |
1_555 |
54 |
18 |
8273 |
468.0 |
1.5 |
0.832 |
6 |
3 |
0 |
0.007 |
5 |
6 |
|
A |
16 |
6 |
8273 |
◊ |
B |
x-1,y,z |
1_455 |
25 |
9 |
7870 |
198.5 |
-1.9 |
0.426 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
[CL]B:451 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
7870 |
68.0 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.094 |
8 |
|
[CL]A:451 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
8273 |
66.1 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.094 |
Average: |
67.0 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.094 |
7 |
9 |
|
A |
7 |
3 |
8273 |
◊ |
[5MR]B:502 |
x-1,y,z |
1_455 |
8 |
1 |
761 |
67.7 |
-1.9 |
0.331 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
[CL]A:453 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
8273 |
55.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.057 |
11 |
|
[CL]A:453 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
7870 |
45.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.057 |
Average: |
50.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.057 |
9 |
12 |
|
[CL]A:452 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
8273 |
54.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.033 |
10 |
13 |
|
[CA]B:447 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
7870 |
46.3 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.109 |
14 |
|
[CA]A:447 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
8273 |
46.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.109 |
Average: |
46.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.109 |
11 |
15 |
|
[CA]A:448 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
8273 |
44.2 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.106 |
16 |
|
[CA]B:448 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
7870 |
43.9 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.106 |
Average: |
44.1 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.106 |
12 |
17 |
|
[CA]A:449 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
8273 |
39.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.085 |
18 |
|
[CA]B:449 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
7870 |
38.2 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
38.7 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.085 |
13 |
19 |
|
[CA]A:450 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8273 |
37.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.069 |
20 |
|
[CA]B:450 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
7870 |
37.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
37.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.069 |
14 |
21 |
|
[ZN]B:444 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
7870 |
36.6 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.229 |
22 |
|
[ZN]A:444 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
8273 |
36.2 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.229 |
Average: |
36.4 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.229 |
15 |
23 |
|
[5MR]A:501 |
6 |
1 |
780 |
cf |
[ZN]A:444 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.5 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.125 |
24 |
|
[5MR]B:502 |
6 |
1 |
761 |
cf |
[ZN]B:444 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.5 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.125 |
Average: |
32.5 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.125 |
16 |
25 |
|
[CL]A:452 |
1 |
1 |
125 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
5 |
2 |
7870 |
30.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.016 |
17 |
26 |
|
[CL]A:451 |
1 |
1 |
125 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
7 |
3 |
7870 |
21.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.020 |
27 |
|
[CL]B:451 |
1 |
1 |
125 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
6 |
2 |
8273 |
20.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
21.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.020 |
18 |
28 |
|
[CA]B:449 |
1 |
1 |
85 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
3 |
2 |
8273 |
19.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.029 |
29 |
|
[CA]A:449 |
1 |
1 |
85 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
3 |
2 |
7870 |
17.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
18.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.029 |
19 |
30 |
|
[5MR]A:501 |
1 |
1 |
780 |
◊ |
[5MR]B:502 |
x-1,y,z |
1_455 |
3 |
1 |
761 |
3.7 |
-0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
|