## |
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 |
82 |
24 |
12529 |
◊ |
A |
x,-y+2,-z+1 |
2_576 |
83 |
24 |
12553 |
803.0 |
-17.2 |
0.002 |
3 |
0 |
0 |
0.109 |
2 |
2 |
|
B |
56 |
15 |
12529 |
◊ |
B |
x,-y+1,-z+1 |
2_566 |
56 |
15 |
12529 |
512.2 |
5.8 |
0.950 |
6 |
6 |
0 |
0.000 |
3 |
3 |
|
A |
52 |
19 |
12553 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
45 |
14 |
12553 |
406.3 |
2.6 |
0.825 |
7 |
4 |
0 |
0.000 |
4 |
4 |
|
A |
57 |
15 |
12553 |
x |
A |
x-1,y,z |
1_455 |
37 |
12 |
12553 |
386.0 |
-0.9 |
0.578 |
9 |
3 |
0 |
0.000 |
5 |
5 |
|
B |
39 |
13 |
12529 |
x |
B |
x-1,y,z |
1_455 |
46 |
9 |
12529 |
346.8 |
-3.9 |
0.254 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
39 |
12 |
12529 |
◊ |
A |
x,y,z |
1_555 |
38 |
12 |
12553 |
303.9 |
1.2 |
0.756 |
2 |
1 |
0 |
0.000 |
7 |
7 |
|
B |
24 |
9 |
12529 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
22 |
8 |
12553 |
171.4 |
-1.4 |
0.396 |
1 |
0 |
0 |
0.000 |
8 |
8 |
|
[NA]A:505 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
12553 |
65.8 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.055 |
9 |
9 |
|
[CL]B:403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
12529 |
62.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.116 |
10 |
10 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
12553 |
50.7 |
-30.9 |
0.000 |
0 |
0 |
0 |
0.372 |
11 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
12529 |
48.8 |
-28.0 |
0.000 |
0 |
0 |
0 |
0.372 |
Average: |
49.7 |
-29.4 |
0.000 |
0 |
0 |
0 |
0.372 |
11 |
12 |
|
B |
5 |
3 |
12529 |
◊ |
B |
x,-y+2,-z+1 |
2_576 |
5 |
3 |
12529 |
45.4 |
-0.1 |
0.584 |
2 |
2 |
0 |
0.003 |
12 |
13 |
|
[NA]B:404 |
1 |
1 |
125 |
f |
[NA]B:404 |
x,-y+1,-z+1 |
2_566 |
1 |
1 |
125 |
43.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.100 |
13 |
14 |
|
[ZN]A:504 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
12553 |
40.3 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.118 |
14 |
15 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
12529 |
39.6 |
-17.7 |
0.000 |
0 |
0 |
0 |
0.236 |
16 |
|
A |
5 |
2 |
12553 |
f |
[ZN]A:503 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
98 |
20.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.236 |
Average: |
30.2 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.236 |
15 |
17 |
|
[NA]B:404 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
4 |
3 |
12529 |
34.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.117 |
16 |
18 |
|
[ZN]A:503 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
12553 |
34.7 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[ZN]A:501 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
12529 |
34.1 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.159 |
20 |
|
[ZN]A:504 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12529 |
30.3 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.159 |
Average: |
32.2 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.159 |
18 |
21 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
12553 |
32.6 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.095 |
19 |
22 |
|
[NA]A:505 |
1 |
1 |
125 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
12553 |
31.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[CL]B:403 |
1 |
1 |
125 |
◊ |
B |
x,-y+1,-z+1 |
2_566 |
3 |
2 |
12529 |
25.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.039 |
21 |
24 |
|
B |
2 |
2 |
12529 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
12553 |
22.1 |
0.0 |
0.656 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
[ZN]A:504 |
1 |
1 |
98 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.072 |
23 |
26 |
|
[CL]B:403 |
1 |
1 |
125 |
x |
[NA]B:404 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.073 |
24 |
27 |
|
A |
3 |
1 |
12553 |
◊ |
B |
-x+1,-y+3/2,z-1/2 |
4_664 |
1 |
1 |
12529 |
12.9 |
0.3 |
0.804 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
B |
1 |
1 |
12529 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
12553 |
8.0 |
0.2 |
0.752 |
0 |
0 |
0 |
0.000 |
26 |
29 |
|
[CL]B:403 |
1 |
1 |
125 |
◊ |
[CL]B:403 |
x,-y+1,-z+1 |
2_566 |
1 |
1 |
125 |
3.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.004 |
27 |
30 |
|
[ZN]B:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12553 |
3.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.007 |
|