## |
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 |
149 |
38 |
8437 |
◊ |
A |
x,y,z |
1_555 |
147 |
37 |
8518 |
1291.3 |
-16.3 |
0.268 |
21 |
2 |
0 |
0.153 |
2 |
2 |
|
A |
53 |
16 |
8518 |
x |
A |
-y,x-y,z+1/3 |
2_555 |
46 |
10 |
8518 |
433.7 |
-5.4 |
0.375 |
4 |
0 |
0 |
0.000 |
3 |
|
B |
43 |
10 |
8437 |
x |
B |
-y,x-y-1,z+1/3 |
2_545 |
49 |
18 |
8437 |
392.2 |
-5.0 |
0.377 |
4 |
0 |
0 |
0.000 |
Average: |
412.9 |
-5.2 |
0.376 |
4 |
0 |
0 |
0.000 |
3 |
4 |
|
[O3N]B:1215 |
24 |
1 |
749 |
f |
A |
x,y,z |
1_555 |
45 |
11 |
8518 |
291.9 |
-3.5 |
0.427 |
0 |
0 |
0 |
0.046 |
5 |
|
[O3N]A:1215 |
24 |
1 |
743 |
f |
B |
x,y,z |
1_555 |
46 |
11 |
8437 |
289.5 |
-4.2 |
0.404 |
0 |
0 |
0 |
0.046 |
Average: |
290.7 |
-3.9 |
0.416 |
0 |
0 |
0 |
0.046 |
4 |
6 |
|
A |
24 |
11 |
8518 |
◊ |
B |
-y,x-y,z+1/3 |
2_555 |
22 |
7 |
8437 |
237.9 |
-2.1 |
0.385 |
1 |
0 |
0 |
0.000 |
7 |
|
A |
22 |
7 |
8518 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
20 |
9 |
8437 |
233.4 |
-3.1 |
0.275 |
1 |
0 |
0 |
0.000 |
Average: |
235.7 |
-2.6 |
0.330 |
1 |
0 |
0 |
0.000 |
5 |
8 |
|
[O3N]B:1215 |
27 |
1 |
749 |
◊ |
B |
x,y,z |
1_555 |
28 |
8 |
8437 |
219.8 |
0.1 |
0.656 |
6 |
0 |
0 |
0.031 |
9 |
|
[O3N]A:1215 |
26 |
1 |
743 |
◊ |
A |
x,y,z |
1_555 |
26 |
8 |
8518 |
218.3 |
-0.9 |
0.533 |
4 |
0 |
0 |
0.031 |
Average: |
219.0 |
-0.4 |
0.594 |
5 |
0 |
0 |
0.031 |
6 |
10 |
|
B |
11 |
3 |
8437 |
◊ |
A |
-y,x-y-1,z-2/3 |
2_544 |
12 |
4 |
8518 |
106.2 |
-1.2 |
0.426 |
0 |
0 |
0 |
0.000 |
11 |
|
B |
13 |
4 |
8437 |
◊ |
A |
-y,x-y,z-2/3 |
2_554 |
10 |
3 |
8518 |
103.8 |
-1.2 |
0.436 |
0 |
0 |
0 |
0.000 |
Average: |
105.0 |
-1.2 |
0.431 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
[SO4]B:1211 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
8437 |
102.4 |
-14.9 |
0.777 |
2 |
0 |
0 |
0.093 |
8 |
13 |
|
[GOL]B:1214 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
8437 |
102.3 |
0.6 |
0.739 |
6 |
0 |
0 |
0.012 |
9 |
14 |
|
[SO4]A:1211 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
8518 |
101.8 |
-14.3 |
0.848 |
4 |
0 |
0 |
0.095 |
10 |
15 |
|
[GOL]A:1214 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
8518 |
98.8 |
0.7 |
0.722 |
4 |
0 |
0 |
0.006 |
11 |
16 |
|
[SO4]B:1212 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
8437 |
98.1 |
-15.9 |
0.734 |
1 |
0 |
0 |
0.096 |
12 |
17 |
|
[SO4]A:1212 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
8518 |
97.6 |
-15.7 |
0.732 |
1 |
0 |
0 |
0.095 |
13 |
18 |
|
[SO4]A:1210 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8518 |
79.8 |
-11.1 |
0.892 |
4 |
0 |
0 |
0.076 |
14 |
19 |
|
[SO4]B:1210 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8437 |
78.3 |
-11.2 |
0.893 |
4 |
0 |
0 |
0.077 |
15 |
20 |
|
[CL]A:1213 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8518 |
58.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.087 |
21 |
|
[CL]B:1213 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8437 |
57.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
58.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.087 |
16 |
22 |
|
B |
5 |
2 |
8437 |
◊ |
[SO4]B:1210 |
-y,x-y-1,z+1/3 |
2_545 |
5 |
1 |
184 |
57.6 |
-7.2 |
0.920 |
2 |
0 |
0 |
0.000 |
17 |
23 |
|
[CL]B:1213 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
8518 |
46.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.067 |
24 |
|
[CL]A:1213 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
8437 |
45.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.067 |
Average: |
45.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.067 |
18 |
25 |
|
[SO4]A:1210 |
5 |
1 |
185 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
4 |
2 |
8518 |
35.6 |
-4.9 |
0.686 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
[SO4]A:1212 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
8437 |
32.3 |
-3.1 |
0.949 |
1 |
0 |
0 |
0.021 |
20 |
27 |
|
[SO4]B:1212 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8518 |
31.9 |
-3.2 |
0.959 |
1 |
0 |
0 |
0.022 |
21 |
28 |
|
[GOL]A:1214 |
3 |
1 |
221 |
◊ |
B |
-y,x-y,z+1/3 |
2_555 |
4 |
2 |
8437 |
22.9 |
0.3 |
0.642 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
[O3N]A:1215 |
3 |
1 |
743 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
8437 |
20.4 |
-0.5 |
0.236 |
0 |
0 |
0 |
0.000 |
30 |
|
A |
1 |
1 |
8518 |
◊ |
[O3N]B:1215 |
-y,x-y,z+1/3 |
2_555 |
3 |
1 |
749 |
19.2 |
-0.5 |
0.249 |
0 |
0 |
0 |
0.000 |
Average: |
19.8 |
-0.5 |
0.243 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[SO4]B:1212 |
1 |
1 |
187 |
◊ |
[SO4]A:1212 |
x,y,z |
1_555 |
1 |
1 |
184 |
13.1 |
-3.1 |
0.800 |
0 |
0 |
0 |
0.019 |
24 |
32 |
|
[O3N]A:1215 |
2 |
1 |
743 |
f |
[GOL]B:1214 |
x,y,z |
1_555 |
2 |
1 |
216 |
11.5 |
-0.4 |
0.452 |
0 |
0 |
0 |
0.002 |
25 |
33 |
|
[O3N]B:1215 |
1 |
1 |
749 |
f |
[GOL]A:1214 |
x,y,z |
1_555 |
2 |
1 |
221 |
11.0 |
-0.2 |
0.458 |
0 |
0 |
0 |
0.001 |
26 |
34 |
|
A |
2 |
2 |
8518 |
◊ |
[GOL]B:1214 |
-y,x-y-1,z+1/3 |
2_545 |
2 |
1 |
216 |
4.7 |
-0.1 |
0.639 |
0 |
0 |
0 |
0.000 |
|