## |
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 |
72 |
22 |
11794 |
◊ |
B |
x,y,z |
1_555 |
75 |
22 |
11602 |
718.4 |
-0.3 |
0.598 |
9 |
8 |
0 |
0.000 |
2 |
|
D |
66 |
20 |
11725 |
◊ |
A |
x,y,z |
1_555 |
74 |
21 |
11753 |
676.5 |
0.1 |
0.642 |
5 |
6 |
0 |
0.000 |
Average: |
697.4 |
-0.1 |
0.620 |
7 |
7 |
0 |
0.000 |
2 |
3 |
|
C |
56 |
16 |
11794 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
54 |
18 |
11753 |
479.2 |
2.1 |
0.759 |
7 |
1 |
0 |
0.007 |
4 |
|
D |
54 |
15 |
11725 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
52 |
18 |
11602 |
475.6 |
1.9 |
0.791 |
6 |
0 |
0 |
0.007 |
Average: |
477.4 |
2.0 |
0.775 |
7 |
1 |
0 |
0.007 |
3 |
5 |
|
D |
41 |
11 |
11725 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
37 |
9 |
11753 |
371.1 |
-0.7 |
0.488 |
3 |
4 |
0 |
0.000 |
6 |
|
C |
37 |
10 |
11794 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
36 |
9 |
11602 |
363.1 |
-0.7 |
0.479 |
4 |
4 |
0 |
0.000 |
Average: |
367.1 |
-0.7 |
0.484 |
4 |
4 |
0 |
0.000 |
4 |
7 |
|
B |
42 |
20 |
11602 |
◊ |
A |
x,y,z |
1_555 |
38 |
18 |
11753 |
358.6 |
0.2 |
0.665 |
3 |
0 |
0 |
0.000 |
5 |
8 |
|
D |
34 |
8 |
11725 |
◊ |
C |
x,y,z |
1_555 |
36 |
8 |
11794 |
329.4 |
1.6 |
0.780 |
4 |
2 |
0 |
0.000 |
6 |
9 |
|
C |
39 |
13 |
11794 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
34 |
9 |
11725 |
319.7 |
-0.7 |
0.517 |
5 |
4 |
0 |
0.000 |
10 |
|
D |
27 |
11 |
11725 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
28 |
8 |
11794 |
241.4 |
-1.0 |
0.481 |
3 |
3 |
0 |
0.000 |
Average: |
280.5 |
-0.8 |
0.499 |
4 |
4 |
0 |
0.000 |
7 |
11 |
|
D |
22 |
9 |
11725 |
◊ |
A |
x-1,y,z |
1_455 |
22 |
8 |
11753 |
175.1 |
-0.0 |
0.364 |
2 |
2 |
0 |
0.000 |
12 |
|
C |
10 |
5 |
11794 |
◊ |
B |
x,y-1,z |
1_545 |
8 |
5 |
11602 |
72.2 |
0.3 |
0.518 |
0 |
0 |
0 |
0.000 |
Average: |
123.7 |
0.1 |
0.441 |
1 |
1 |
0 |
0.000 |
8 |
13 |
|
D |
15 |
5 |
11725 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
11602 |
113.1 |
-0.1 |
0.473 |
0 |
0 |
0 |
0.000 |
14 |
|
C |
8 |
3 |
11794 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
11753 |
68.1 |
-0.5 |
0.220 |
0 |
0 |
0 |
0.000 |
Average: |
90.6 |
-0.3 |
0.346 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
[CL]D:301 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
11725 |
67.0 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.118 |
16 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
11602 |
66.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.118 |
17 |
|
[CL]C:301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
11794 |
66.8 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.118 |
Average: |
66.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.118 |
10 |
18 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
11753 |
58.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.080 |
19 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
11602 |
57.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.080 |
20 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
11602 |
52.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.080 |
21 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
11753 |
50.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
54.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.080 |
11 |
22 |
|
[CL]C:302 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
11794 |
51.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.037 |
12 |
23 |
|
[ZN]B:300 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
11602 |
49.3 |
-39.1 |
0.000 |
0 |
0 |
0 |
0.494 |
24 |
|
[ZN]C:300 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
11794 |
49.2 |
-39.3 |
0.000 |
0 |
0 |
0 |
0.494 |
25 |
|
[ZN]D:300 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
11725 |
49.1 |
-39.3 |
0.000 |
0 |
0 |
0 |
0.494 |
26 |
|
[ZN]A:300 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
11753 |
49.0 |
-39.1 |
0.000 |
0 |
0 |
0 |
0.494 |
Average: |
49.2 |
-39.2 |
0.000 |
0 |
0 |
0 |
0.494 |
13 |
27 |
|
C |
10 |
3 |
11794 |
◊ |
[CL]A:302 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
125 |
38.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.027 |
28 |
|
D |
8 |
3 |
11725 |
◊ |
[CL]B:303 |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
125 |
37.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
37.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.027 |
14 |
29 |
|
[ZN]B:301 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
11602 |
31.3 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.080 |
30 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
11753 |
30.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
31.0 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.080 |
15 |
31 |
|
D |
5 |
2 |
11725 |
f |
[ZN]B:301 |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
98 |
30.8 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.079 |
32 |
|
C |
5 |
2 |
11794 |
f |
[ZN]A:301 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
98 |
29.7 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
30.3 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.079 |
16 |
33 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.0 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.058 |
17 |
34 |
|
[CL]B:303 |
1 |
1 |
125 |
◊ |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.4 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.059 |
18 |
35 |
|
D |
3 |
1 |
11725 |
◊ |
[CL]B:304 |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
125 |
18.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.011 |
36 |
|
C |
3 |
1 |
11794 |
◊ |
[CL]A:303 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
125 |
16.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
17.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.011 |
19 |
37 |
|
[CL]A:302 |
1 |
1 |
125 |
◊ |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.6 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.058 |
20 |
38 |
|
[CL]B:304 |
1 |
1 |
125 |
◊ |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.5 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.049 |
21 |
39 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
[CL]A:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.014 |
22 |
40 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
[CL]B:303 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.014 |
23 |
41 |
|
D |
1 |
1 |
11725 |
◊ |
B |
-x+1/2,-y+2,z-1/2 |
2_574 |
1 |
1 |
11602 |
0.4 |
0.0 |
0.661 |
0 |
0 |
0 |
0.000 |
|