## |
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 |
159 |
47 |
14098 |
◊ |
B |
x,y,z |
1_555 |
159 |
46 |
14039 |
1438.5 |
-17.7 |
0.260 |
18 |
10 |
0 |
0.205 |
2 |
|
D |
159 |
46 |
13959 |
◊ |
A |
x,y,z |
1_555 |
156 |
45 |
14071 |
1427.6 |
-17.8 |
0.240 |
18 |
10 |
0 |
0.205 |
Average: |
1433.0 |
-17.8 |
0.250 |
18 |
10 |
0 |
0.205 |
2 |
3 |
|
[NAD]D:503 |
42 |
1 |
875 |
f |
D |
x,y,z |
1_555 |
79 |
35 |
13959 |
595.6 |
-8.4 |
0.527 |
14 |
0 |
0 |
0.221 |
4 |
|
[NAD]C:503 |
42 |
1 |
869 |
f |
C |
x,y,z |
1_555 |
79 |
34 |
14098 |
595.2 |
-8.3 |
0.534 |
14 |
0 |
0 |
0.221 |
5 |
|
[NAD]B:503 |
41 |
1 |
871 |
f |
B |
x,y,z |
1_555 |
80 |
36 |
14039 |
592.1 |
-8.2 |
0.552 |
14 |
0 |
0 |
0.221 |
6 |
|
[NAD]A:503 |
42 |
1 |
874 |
f |
A |
x,y,z |
1_555 |
79 |
35 |
14071 |
591.6 |
-8.3 |
0.528 |
15 |
0 |
0 |
0.221 |
Average: |
593.6 |
-8.3 |
0.535 |
14 |
0 |
0 |
0.221 |
3 |
7 |
|
D |
54 |
20 |
13959 |
◊ |
B |
x,y,z |
1_555 |
53 |
19 |
14039 |
530.9 |
-5.6 |
0.397 |
4 |
2 |
0 |
0.054 |
8 |
|
C |
52 |
19 |
14098 |
◊ |
A |
x,y,z |
1_555 |
50 |
19 |
14071 |
493.7 |
-5.7 |
0.358 |
4 |
2 |
0 |
0.054 |
Average: |
512.3 |
-5.7 |
0.378 |
4 |
2 |
0 |
0.054 |
4 |
9 |
|
D |
49 |
16 |
13959 |
◊ |
C |
x,y,z |
1_555 |
50 |
16 |
14098 |
448.6 |
-3.3 |
0.582 |
0 |
0 |
0 |
0.026 |
10 |
|
B |
46 |
16 |
14039 |
◊ |
A |
x,y,z |
1_555 |
49 |
16 |
14071 |
445.9 |
-4.1 |
0.486 |
0 |
0 |
0 |
0.026 |
Average: |
447.3 |
-3.7 |
0.534 |
0 |
0 |
0 |
0.026 |
5 |
11 |
|
A |
24 |
8 |
14071 |
◊ |
B |
-x-2,y-1/2,-z+2 |
2_347 |
26 |
11 |
14039 |
215.9 |
-1.4 |
0.577 |
4 |
2 |
0 |
0.000 |
6 |
12 |
|
A |
21 |
10 |
14071 |
◊ |
B |
-x-2,y-1/2,-z+3 |
2_348 |
13 |
6 |
14039 |
186.9 |
-1.4 |
0.398 |
4 |
2 |
0 |
0.000 |
7 |
13 |
|
[9ON]A:504 |
10 |
1 |
301 |
f |
A |
x,y,z |
1_555 |
21 |
12 |
14071 |
183.7 |
1.7 |
0.110 |
3 |
0 |
0 |
0.000 |
14 |
|
[9ON]C:504 |
10 |
1 |
297 |
f |
C |
x,y,z |
1_555 |
21 |
12 |
14098 |
180.6 |
1.6 |
0.098 |
2 |
0 |
0 |
0.000 |
Average: |
182.1 |
1.7 |
0.104 |
3 |
0 |
0 |
0.000 |
8 |
15 |
|
[9ON]D:504 |
10 |
1 |
300 |
f |
D |
x,y,z |
1_555 |
22 |
12 |
13959 |
180.1 |
1.7 |
0.122 |
2 |
0 |
0 |
0.000 |
9 |
16 |
|
B |
19 |
7 |
14039 |
◊ |
C |
x-1,y,z |
1_455 |
24 |
6 |
14098 |
178.9 |
-0.1 |
0.735 |
2 |
4 |
0 |
0.000 |
17 |
|
A |
25 |
6 |
14071 |
◊ |
D |
x-1,y,z |
1_455 |
20 |
7 |
13959 |
175.2 |
0.9 |
0.844 |
2 |
4 |
0 |
0.000 |
Average: |
177.0 |
0.4 |
0.790 |
2 |
4 |
0 |
0.000 |
10 |
18 |
|
[9ON]B:504 |
10 |
1 |
300 |
f |
B |
x,y,z |
1_555 |
21 |
12 |
14039 |
178.2 |
1.8 |
0.129 |
2 |
0 |
0 |
0.000 |
11 |
19 |
|
C |
18 |
7 |
14098 |
x |
C |
-x-1,y-1/2,-z+3 |
2_448 |
16 |
7 |
14098 |
153.5 |
-0.5 |
0.619 |
1 |
2 |
0 |
0.000 |
12 |
20 |
|
[9ON]A:504 |
5 |
1 |
301 |
f |
[NAD]A:503 |
x,y,z |
1_555 |
9 |
1 |
874 |
43.6 |
0.3 |
0.753 |
0 |
0 |
0 |
0.000 |
21 |
|
[9ON]C:504 |
5 |
1 |
297 |
f |
[NAD]C:503 |
x,y,z |
1_555 |
9 |
1 |
869 |
43.2 |
0.4 |
0.757 |
0 |
0 |
0 |
0.000 |
Average: |
43.4 |
0.3 |
0.755 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
[9ON]D:504 |
4 |
1 |
300 |
f |
[NAD]D:503 |
x,y,z |
1_555 |
8 |
1 |
875 |
42.9 |
0.3 |
0.734 |
0 |
0 |
0 |
0.000 |
14 |
23 |
|
[9ON]B:504 |
4 |
1 |
300 |
f |
[NAD]B:503 |
x,y,z |
1_555 |
8 |
1 |
871 |
42.2 |
0.4 |
0.748 |
0 |
0 |
0 |
0.000 |
15 |
24 |
|
[ZN]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
13959 |
32.6 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.345 |
25 |
|
[ZN]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
14098 |
32.3 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.345 |
26 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
14039 |
32.2 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.345 |
27 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
14071 |
32.0 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.345 |
Average: |
32.3 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.345 |
16 |
28 |
|
[NAD]A:503 |
2 |
1 |
874 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
13959 |
27.6 |
-0.1 |
0.402 |
0 |
0 |
0 |
0.002 |
29 |
|
[NAD]C:503 |
3 |
1 |
869 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14039 |
27.1 |
-0.1 |
0.397 |
0 |
0 |
0 |
0.002 |
30 |
|
[NAD]B:503 |
3 |
1 |
871 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
14098 |
26.6 |
-0.1 |
0.401 |
0 |
0 |
0 |
0.002 |
31 |
|
[NAD]D:503 |
3 |
1 |
875 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14071 |
25.9 |
-0.1 |
0.408 |
0 |
0 |
0 |
0.002 |
Average: |
26.8 |
-0.1 |
0.402 |
0 |
0 |
0 |
0.002 |
17 |
32 |
|
[9ON]D:504 |
3 |
1 |
300 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
14071 |
26.9 |
-0.1 |
0.616 |
0 |
0 |
0 |
0.000 |
18 |
33 |
|
[9ON]B:504 |
3 |
1 |
300 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
14098 |
25.9 |
-0.1 |
0.623 |
0 |
0 |
0 |
0.000 |
19 |
34 |
|
[9ON]A:504 |
3 |
1 |
301 |
f |
[ZN]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.135 |
35 |
|
[9ON]B:504 |
3 |
1 |
300 |
f |
[ZN]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.135 |
36 |
|
[9ON]C:504 |
3 |
1 |
297 |
f |
[ZN]C:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.135 |
37 |
|
[9ON]D:504 |
3 |
1 |
300 |
f |
[ZN]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.4 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.135 |
Average: |
24.7 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.135 |
20 |
38 |
|
[9ON]C:504 |
3 |
1 |
297 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
14039 |
24.2 |
-0.1 |
0.605 |
0 |
0 |
0 |
0.000 |
39 |
|
[9ON]A:504 |
4 |
1 |
301 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
13959 |
23.2 |
-0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
Average: |
23.7 |
-0.1 |
0.627 |
0 |
0 |
0 |
0.001 |
21 |
40 |
|
[NAD]C:503 |
3 |
1 |
869 |
f |
[ZN]C:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.110 |
41 |
|
[NAD]D:503 |
3 |
1 |
875 |
f |
[ZN]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.110 |
42 |
|
[NAD]B:503 |
3 |
1 |
871 |
f |
[ZN]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.110 |
43 |
|
[NAD]A:503 |
3 |
1 |
874 |
f |
[ZN]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.110 |
Average: |
20.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.110 |
22 |
44 |
|
A |
4 |
2 |
14071 |
◊ |
C |
-x-1,y-1/2,-z+3 |
2_448 |
4 |
1 |
14098 |
16.9 |
-0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
23 |
45 |
|
D |
1 |
1 |
13959 |
x |
D |
-x-1,y-1/2,-z+2 |
2_447 |
1 |
1 |
13959 |
3.3 |
-0.1 |
0.377 |
0 |
0 |
0 |
0.000 |
24 |
46 |
|
A |
1 |
1 |
14071 |
◊ |
C |
-x-2,y-1/2,-z+3 |
2_348 |
1 |
1 |
14098 |
0.4 |
0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
|