## |
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 |
132 |
32 |
10230 |
◊ |
A |
x,y,z |
1_555 |
140 |
32 |
10331 |
1204.4 |
-9.5 |
0.255 |
9 |
8 |
0 |
0.079 |
2 |
2 |
|
B |
65 |
19 |
10230 |
◊ |
A |
x-1,y,z+1 |
1_456 |
62 |
19 |
10331 |
741.5 |
-7.4 |
0.147 |
10 |
0 |
0 |
0.070 |
3 |
3 |
|
B |
53 |
16 |
10230 |
◊ |
A |
x-1,y,z |
1_455 |
57 |
18 |
10331 |
482.0 |
0.7 |
0.700 |
2 |
5 |
0 |
0.000 |
4 |
4 |
|
B |
38 |
13 |
10230 |
◊ |
A |
x,y-1,z |
1_545 |
30 |
11 |
10331 |
324.5 |
-2.0 |
0.383 |
2 |
2 |
0 |
0.000 |
5 |
5 |
|
[PE3]A:206 |
6 |
1 |
246 |
f |
A |
x,y,z |
1_555 |
24 |
7 |
10331 |
154.3 |
-1.5 |
0.677 |
1 |
0 |
0 |
0.012 |
6 |
6 |
|
B |
15 |
6 |
10230 |
x |
B |
x-1,y,z |
1_455 |
14 |
6 |
10230 |
123.9 |
2.3 |
0.872 |
2 |
2 |
0 |
0.000 |
7 |
7 |
|
[PE3]A:207 |
6 |
1 |
250 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
10331 |
111.0 |
-1.6 |
0.723 |
0 |
0 |
0 |
0.009 |
8 |
8 |
|
B |
15 |
4 |
10230 |
◊ |
[PE3]A:208 |
x-1,y,z+1 |
1_456 |
7 |
1 |
254 |
103.9 |
-1.3 |
0.559 |
0 |
0 |
0 |
0.007 |
9 |
9 |
|
[PE3]A:205 |
6 |
1 |
241 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
10331 |
92.2 |
-1.8 |
0.564 |
0 |
0 |
0 |
0.010 |
10 |
10 |
|
[SO4]B:202 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
10230 |
81.2 |
-11.5 |
0.825 |
3 |
0 |
0 |
0.076 |
11 |
11 |
|
[PE3]A:208 |
5 |
1 |
254 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
10331 |
77.3 |
-2.1 |
0.347 |
0 |
0 |
0 |
0.012 |
12 |
12 |
|
B |
10 |
2 |
10230 |
f |
[PE3]A:205 |
x-1,y,z+1 |
1_456 |
6 |
1 |
241 |
75.6 |
-2.0 |
0.366 |
0 |
0 |
0 |
0.012 |
13 |
13 |
|
[CL]A:202 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
10331 |
73.3 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.129 |
14 |
|
[CL]B:203 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
10230 |
73.0 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.129 |
Average: |
73.1 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.129 |
14 |
15 |
|
[CL]A:204 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
10331 |
69.0 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.057 |
15 |
16 |
|
A |
2 |
1 |
10331 |
x |
A |
x-1,y+1,z |
1_465 |
7 |
5 |
10331 |
58.2 |
0.9 |
0.692 |
2 |
0 |
0 |
0.000 |
16 |
17 |
|
[CL]B:205 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
10230 |
57.8 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.048 |
17 |
18 |
|
[CL]B:204 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
10331 |
51.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.039 |
18 |
19 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
10331 |
50.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.039 |
19 |
20 |
|
[ZN]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
10331 |
48.9 |
-36.3 |
0.000 |
0 |
0 |
0 |
0.423 |
21 |
|
[ZN]B:201 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
10230 |
48.3 |
-35.1 |
0.000 |
0 |
0 |
0 |
0.423 |
Average: |
48.6 |
-35.7 |
0.000 |
0 |
0 |
0 |
0.423 |
20 |
22 |
|
[SO4]B:202 |
5 |
1 |
185 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
2 |
10331 |
46.9 |
-5.3 |
0.932 |
2 |
0 |
0 |
0.000 |
21 |
23 |
|
[CL]A:203 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
10230 |
45.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.032 |
22 |
24 |
|
[CL]B:205 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
10331 |
41.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.029 |
23 |
25 |
|
[CL]B:204 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
10230 |
41.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.022 |
24 |
26 |
|
A |
4 |
1 |
10331 |
x |
A |
x,y-1,z |
1_545 |
3 |
1 |
10331 |
23.7 |
0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
25 |
27 |
|
[CL]B:203 |
1 |
1 |
125 |
f |
[ZN]B:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.029 |
26 |
28 |
|
[CL]A:202 |
1 |
1 |
125 |
f |
[ZN]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.026 |
27 |
29 |
|
[SO4]B:202 |
1 |
1 |
185 |
◊ |
[CL]B:204 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.008 |
|