## |
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 |
293 |
67 |
9983 |
◊ |
B |
-x+1,-y,z |
2_655 |
290 |
67 |
9983 |
2916.0 |
-34.5 |
0.058 |
44 |
4 |
0 |
0.317 |
2 |
|
A |
276 |
67 |
9834 |
◊ |
A |
-x+1,y,-z |
3_655 |
275 |
67 |
9834 |
2810.0 |
-37.6 |
0.015 |
48 |
4 |
0 |
0.317 |
Average: |
2863.0 |
-36.0 |
0.036 |
46 |
4 |
0 |
0.317 |
2 |
3 |
|
B |
43 |
15 |
9983 |
◊ |
A |
x,y,z |
1_555 |
42 |
11 |
9834 |
362.6 |
-1.3 |
0.587 |
3 |
2 |
0 |
0.000 |
3 |
4 |
|
B |
45 |
9 |
9983 |
◊ |
A |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
37 |
9 |
9834 |
321.6 |
-1.8 |
0.539 |
4 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
28 |
7 |
9983 |
◊ |
A |
-x+1,y,-z |
3_655 |
16 |
5 |
9834 |
201.7 |
2.2 |
0.827 |
2 |
3 |
0 |
0.000 |
5 |
6 |
|
A |
22 |
10 |
9834 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
22 |
10 |
9834 |
163.3 |
0.9 |
0.743 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
14 |
4 |
9983 |
x |
B |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
14 |
4 |
9983 |
132.2 |
-0.3 |
0.508 |
2 |
2 |
0 |
0.000 |
7 |
8 |
|
[GOL]B:203 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
9983 |
122.6 |
-1.0 |
0.460 |
1 |
0 |
0 |
0.007 |
8 |
9 |
|
[GOL]A:203 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
9834 |
100.3 |
-0.5 |
0.510 |
1 |
0 |
0 |
0.010 |
9 |
10 |
|
[GOL]B:204 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
9983 |
92.8 |
-0.2 |
0.555 |
1 |
0 |
0 |
0.003 |
10 |
11 |
|
[SO4]B:202 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
9983 |
82.6 |
-11.9 |
0.796 |
6 |
0 |
0 |
0.072 |
11 |
12 |
|
[SO4]A:202 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
9834 |
81.9 |
-11.5 |
0.901 |
6 |
0 |
0 |
0.151 |
12 |
13 |
|
[K]B:208 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
9983 |
80.2 |
-47.3 |
0.000 |
0 |
0 |
0 |
0.235 |
13 |
14 |
|
[GOL]B:204 |
6 |
1 |
217 |
◊ |
A |
-x+1,y,-z |
3_655 |
7 |
3 |
9834 |
64.3 |
-0.0 |
0.582 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[CL]B:207 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
9983 |
62.0 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.043 |
15 |
16 |
|
[SO4]A:202 |
5 |
1 |
189 |
◊ |
A |
-x+1,y,-z |
3_655 |
12 |
6 |
9834 |
58.3 |
-6.7 |
0.861 |
2 |
0 |
0 |
0.081 |
16 |
17 |
|
[SO4]B:202 |
5 |
1 |
189 |
◊ |
B |
-x+1,-y,z |
2_655 |
12 |
6 |
9983 |
56.8 |
-6.4 |
0.872 |
2 |
0 |
0 |
0.036 |
17 |
18 |
|
[CL]B:205 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
9983 |
51.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.035 |
18 |
19 |
|
A |
6 |
3 |
9834 |
◊ |
[K]B:208 |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
1 |
1 |
216 |
51.4 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.126 |
19 |
20 |
|
[CL]B:206 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
9983 |
47.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.032 |
20 |
21 |
|
[CL]B:206 |
1 |
1 |
125 |
◊ |
B |
-x+1,-y,z |
2_655 |
12 |
6 |
9983 |
45.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.028 |
21 |
22 |
|
[CL]A:205 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
9983 |
40.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.023 |
22 |
23 |
|
[GOL]A:203 |
2 |
1 |
221 |
◊ |
A |
-x+1,y,-z |
3_655 |
7 |
3 |
9834 |
39.3 |
-0.5 |
0.488 |
0 |
0 |
0 |
0.005 |
23 |
24 |
|
[CL]B:205 |
1 |
1 |
125 |
◊ |
B |
-x+1,-y,z |
2_655 |
7 |
2 |
9983 |
34.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.020 |
24 |
25 |
|
A |
7 |
2 |
9834 |
◊ |
A |
x,-y+1,-z |
4_565 |
7 |
2 |
9834 |
31.9 |
0.4 |
0.703 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[GOL]A:203 |
4 |
1 |
221 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
3 |
1 |
9834 |
31.3 |
-0.5 |
0.287 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
A |
5 |
2 |
9834 |
◊ |
B |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
3 |
1 |
9983 |
30.7 |
0.2 |
0.678 |
0 |
1 |
0 |
0.000 |
27 |
28 |
|
[CL]A:205 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
9834 |
30.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
[ZN]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
9834 |
30.4 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.186 |
30 |
|
[ZN]B:201 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
9983 |
30.3 |
-17.5 |
0.000 |
0 |
0 |
0 |
0.186 |
Average: |
30.4 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.186 |
29 |
31 |
|
[GOL]A:203 |
3 |
1 |
221 |
◊ |
A |
x,-y+1,-z |
4_565 |
4 |
1 |
9834 |
28.2 |
0.4 |
0.709 |
1 |
0 |
0 |
0.000 |
30 |
32 |
|
B |
2 |
1 |
9983 |
◊ |
[CL]A:205 |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
1 |
1 |
125 |
25.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
[ZN]A:204 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
9834 |
25.1 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
|
B |
4 |
1 |
9983 |
◊ |
[ZN]A:204 |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
1 |
1 |
98 |
24.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
24.9 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
35 |
|
[ZN]A:201 |
1 |
1 |
98 |
◊ |
A |
-x+1,y,-z |
3_655 |
4 |
2 |
9834 |
25.1 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.116 |
36 |
|
[ZN]B:201 |
1 |
1 |
98 |
◊ |
B |
-x+1,-y,z |
2_655 |
4 |
2 |
9983 |
25.0 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.116 |
Average: |
25.0 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.116 |
33 |
37 |
|
[ZN]A:204 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
9983 |
24.8 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.055 |
34 |
38 |
|
[SO4]A:202 |
3 |
1 |
189 |
f |
[ZN]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.6 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.134 |
35 |
39 |
|
[SO4]B:202 |
3 |
1 |
189 |
f |
[ZN]B:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.5 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.062 |
36 |
40 |
|
[CL]A:205 |
1 |
1 |
125 |
f |
[ZN]A:204 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.5 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.049 |
37 |
41 |
|
A |
4 |
1 |
9834 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
9983 |
18.7 |
-0.5 |
0.248 |
0 |
0 |
0 |
0.000 |
38 |
42 |
|
B |
4 |
2 |
9983 |
◊ |
A |
-x+3/2,y-1/2,-z+1/2 |
7_645 |
4 |
3 |
9834 |
17.9 |
0.1 |
0.619 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
B |
1 |
1 |
9983 |
x |
B |
-x+3/2,y-1/2,-z+1/2 |
7_645 |
4 |
1 |
9983 |
15.9 |
0.3 |
0.670 |
0 |
0 |
0 |
0.000 |
40 |
44 |
|
[GOL]B:203 |
1 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
9834 |
13.4 |
0.0 |
0.521 |
0 |
0 |
0 |
0.000 |
41 |
45 |
|
B |
1 |
1 |
9983 |
◊ |
A |
-x+1,-y,z |
2_655 |
2 |
1 |
9834 |
13.0 |
-0.1 |
0.532 |
0 |
0 |
0 |
0.000 |
42 |
46 |
|
[GOL]B:204 |
1 |
1 |
217 |
f |
[GOL]B:203 |
x,y,z |
1_555 |
1 |
1 |
219 |
10.4 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
[K]B:208 |
1 |
1 |
216 |
◊ |
B |
-x+1,-y,z |
2_655 |
2 |
1 |
9983 |
9.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.023 |
44 |
48 |
|
B |
1 |
1 |
9983 |
◊ |
[K]B:208 |
-x+3/2,y-1/2,-z+1/2 |
7_645 |
1 |
1 |
216 |
7.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
49 |
|
B |
1 |
1 |
9983 |
◊ |
[ZN]A:204 |
-x+3/2,y-1/2,-z+1/2 |
7_645 |
1 |
1 |
98 |
3.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
50 |
|
B |
2 |
1 |
9983 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
3 |
2 |
9834 |
2.1 |
-0.1 |
0.576 |
0 |
0 |
0 |
0.000 |
|