| ## |
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 |
150 |
40 |
8409 |
◊ |
A |
x,y,z |
1_555 |
148 |
39 |
8485 |
1319.5 |
-17.1 |
0.261 |
21 |
4 |
0 |
0.158 |
| 2 |
2 |
|
A |
54 |
17 |
8485 |
x |
A |
-y,x-y,z+1/3 |
2_555 |
49 |
12 |
8485 |
439.9 |
-5.8 |
0.346 |
4 |
0 |
0 |
0.000 |
3 |
|
B |
46 |
12 |
8409 |
x |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
51 |
19 |
8409 |
397.6 |
-4.9 |
0.425 |
4 |
0 |
0 |
0.000 |
| Average: |
418.7 |
-5.4 |
0.386 |
4 |
0 |
0 |
0.000 |
| 3 |
4 |
|
[2SS]B:1216 |
24 |
1 |
737 |
f |
A |
x,y,z |
1_555 |
41 |
11 |
8485 |
284.7 |
-3.1 |
0.457 |
0 |
0 |
0 |
0.037 |
5 |
|
[2SS]A:1216 |
24 |
1 |
739 |
f |
B |
x,y,z |
1_555 |
41 |
11 |
8409 |
283.9 |
-3.2 |
0.460 |
0 |
0 |
0 |
0.037 |
| Average: |
284.3 |
-3.1 |
0.458 |
0 |
0 |
0 |
0.037 |
| 4 |
6 |
|
A |
21 |
10 |
8485 |
◊ |
B |
-y,x-y,z+1/3 |
2_555 |
22 |
7 |
8409 |
232.8 |
-2.9 |
0.309 |
1 |
0 |
0 |
0.000 |
7 |
|
A |
22 |
7 |
8485 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
22 |
10 |
8409 |
230.6 |
-3.0 |
0.310 |
1 |
0 |
0 |
0.000 |
| Average: |
231.7 |
-3.0 |
0.309 |
1 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[2SS]A:1216 |
26 |
1 |
739 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
8485 |
214.0 |
0.5 |
0.653 |
6 |
0 |
0 |
0.024 |
9 |
|
[2SS]B:1216 |
26 |
1 |
737 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
8409 |
213.7 |
0.6 |
0.666 |
6 |
0 |
0 |
0.024 |
| Average: |
213.8 |
0.6 |
0.660 |
6 |
0 |
0 |
0.024 |
| 6 |
10 |
|
B |
12 |
4 |
8409 |
◊ |
A |
-y,x-y,z-2/3 |
2_554 |
10 |
3 |
8485 |
105.4 |
-1.1 |
0.463 |
0 |
0 |
0 |
0.000 |
11 |
|
B |
12 |
3 |
8409 |
◊ |
A |
-y+1,x-y+1,z-2/3 |
2_664 |
11 |
4 |
8485 |
103.1 |
-1.0 |
0.510 |
0 |
0 |
0 |
0.000 |
| Average: |
104.3 |
-1.0 |
0.487 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[SO4]B:1211 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
8409 |
102.0 |
-14.8 |
0.777 |
2 |
0 |
0 |
0.091 |
| 8 |
13 |
|
[SO4]A:1211 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
8485 |
101.8 |
-14.7 |
0.769 |
2 |
0 |
0 |
0.091 |
| 9 |
14 |
|
[SO4]A:1212 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
8485 |
97.9 |
-15.7 |
0.737 |
1 |
0 |
0 |
0.094 |
| 10 |
15 |
|
[GOL]B:1215 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
8409 |
97.1 |
0.7 |
0.709 |
5 |
0 |
0 |
0.025 |
16 |
|
[GOL]A:1215 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
8485 |
92.4 |
0.8 |
0.758 |
8 |
0 |
0 |
0.025 |
| Average: |
94.8 |
0.7 |
0.733 |
7 |
0 |
0 |
0.025 |
| 11 |
17 |
|
[SO4]B:1212 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
8409 |
96.6 |
-15.6 |
0.747 |
1 |
0 |
0 |
0.093 |
| 12 |
18 |
|
[ACT]B:1213 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8409 |
80.2 |
0.0 |
0.763 |
3 |
0 |
0 |
0.008 |
| 13 |
19 |
|
[SO4]B:1210 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8409 |
78.9 |
-11.3 |
0.896 |
4 |
0 |
0 |
0.076 |
| 14 |
20 |
|
[SO4]A:1210 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8485 |
78.9 |
-11.2 |
0.892 |
4 |
0 |
0 |
0.075 |
| 15 |
21 |
|
[ACT]A:1213 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8485 |
75.5 |
0.3 |
0.756 |
3 |
0 |
0 |
0.006 |
| 16 |
22 |
|
B |
6 |
2 |
8409 |
◊ |
[SO4]B:1210 |
-y+1,x-y+1,z+1/3 |
2_665 |
5 |
1 |
185 |
59.1 |
-7.7 |
0.893 |
1 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[CL]B:1214 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8409 |
59.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.086 |
24 |
|
[CL]A:1214 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
8485 |
59.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.086 |
| Average: |
59.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.086 |
| 18 |
25 |
|
[CL]B:1214 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
8485 |
45.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.065 |
26 |
|
[CL]A:1214 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
8409 |
44.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.065 |
| Average: |
45.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.065 |
| 19 |
27 |
|
[GOL]B:1215 |
3 |
1 |
220 |
f |
[ACT]B:1213 |
x,y,z |
1_555 |
3 |
1 |
183 |
44.8 |
-0.6 |
0.561 |
0 |
0 |
0 |
0.003 |
| 20 |
28 |
|
[GOL]A:1215 |
4 |
1 |
216 |
f |
[ACT]A:1213 |
x,y,z |
1_555 |
3 |
1 |
183 |
44.7 |
-0.8 |
0.464 |
0 |
0 |
0 |
0.005 |
| 21 |
29 |
|
[SO4]A:1210 |
5 |
1 |
184 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
5 |
2 |
8485 |
40.7 |
-5.4 |
0.698 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[SO4]B:1212 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
8485 |
33.6 |
-3.3 |
0.946 |
1 |
0 |
0 |
0.022 |
| 23 |
31 |
|
[SO4]A:1212 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
8409 |
32.3 |
-3.2 |
0.951 |
1 |
0 |
0 |
0.021 |
| 24 |
32 |
|
[GOL]A:1215 |
3 |
1 |
216 |
◊ |
B |
-y,x-y,z+1/3 |
2_555 |
5 |
3 |
8409 |
31.2 |
0.3 |
0.627 |
1 |
0 |
0 |
0.000 |
| 25 |
33 |
|
A |
3 |
1 |
8485 |
◊ |
[GOL]B:1215 |
-y+1,x-y+1,z+1/3 |
2_665 |
2 |
1 |
220 |
27.2 |
0.3 |
0.689 |
1 |
0 |
0 |
0.000 |
| 26 |
34 |
|
[2SS]A:1216 |
4 |
1 |
739 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
2 |
1 |
8409 |
22.6 |
0.0 |
0.363 |
0 |
0 |
0 |
0.000 |
35 |
|
A |
2 |
1 |
8485 |
◊ |
[2SS]B:1216 |
-y,x-y,z+1/3 |
2_555 |
4 |
1 |
737 |
21.6 |
-0.0 |
0.360 |
0 |
0 |
0 |
0.000 |
| Average: |
22.1 |
-0.0 |
0.362 |
0 |
0 |
0 |
0.000 |
| 27 |
36 |
|
[SO4]B:1212 |
1 |
1 |
185 |
◊ |
[SO4]A:1212 |
x,y,z |
1_555 |
1 |
1 |
185 |
13.8 |
-3.3 |
0.800 |
0 |
0 |
0 |
0.019 |
| 28 |
37 |
|
[ACT]A:1213 |
1 |
1 |
183 |
◊ |
B |
-y,x-y,z+1/3 |
2_555 |
2 |
1 |
8409 |
12.9 |
-0.4 |
0.420 |
0 |
0 |
0 |
0.000 |
| 29 |
38 |
|
[2SS]B:1216 |
2 |
1 |
737 |
f |
[ACT]A:1213 |
x,y,z |
1_555 |
1 |
1 |
183 |
12.6 |
-0.0 |
0.470 |
0 |
0 |
0 |
0.000 |
| 30 |
39 |
|
[2SS]A:1216 |
1 |
1 |
739 |
f |
[ACT]B:1213 |
x,y,z |
1_555 |
1 |
1 |
183 |
10.7 |
-0.0 |
0.435 |
0 |
0 |
0 |
0.000 |
| 31 |
40 |
|
A |
2 |
1 |
8485 |
◊ |
[ACT]B:1213 |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
183 |
8.7 |
-0.3 |
0.467 |
0 |
0 |
0 |
0.000 |
| 32 |
41 |
|
[2SS]A:1216 |
1 |
1 |
739 |
f |
[GOL]B:1215 |
x,y,z |
1_555 |
1 |
1 |
220 |
3.4 |
-0.0 |
0.493 |
0 |
0 |
0 |
0.000 |
|