## |
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 |
155 |
39 |
8462 |
◊ |
A |
x,y,z |
1_555 |
152 |
40 |
8542 |
1290.5 |
-16.5 |
0.292 |
19 |
2 |
0 |
0.207 |
2 |
2 |
|
A |
56 |
16 |
8542 |
x |
A |
-y,x-y+1,z+1/3 |
2_565 |
48 |
11 |
8542 |
434.5 |
-5.6 |
0.382 |
4 |
0 |
0 |
0.000 |
3 |
|
B |
41 |
9 |
8462 |
x |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
55 |
18 |
8462 |
375.4 |
-5.9 |
0.304 |
4 |
0 |
0 |
0.000 |
Average: |
405.0 |
-5.7 |
0.343 |
4 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
24 |
7 |
8542 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
23 |
10 |
8462 |
237.8 |
-3.2 |
0.311 |
1 |
0 |
0 |
0.000 |
5 |
|
A |
21 |
9 |
8542 |
◊ |
B |
-y,x-y+1,z+1/3 |
2_565 |
24 |
7 |
8462 |
234.0 |
-2.8 |
0.294 |
1 |
0 |
0 |
0.000 |
Average: |
235.9 |
-3.0 |
0.303 |
1 |
0 |
0 |
0.000 |
4 |
6 |
|
[N44]B:1217 |
20 |
1 |
638 |
◊ |
A |
x,y,z |
1_555 |
38 |
10 |
8542 |
232.1 |
1.6 |
0.423 |
0 |
0 |
0 |
0.000 |
7 |
|
[N44]A:1215 |
18 |
1 |
635 |
◊ |
B |
x,y,z |
1_555 |
39 |
10 |
8462 |
230.6 |
2.1 |
0.477 |
0 |
0 |
0 |
0.000 |
Average: |
231.4 |
1.8 |
0.450 |
0 |
0 |
0 |
0.000 |
5 |
8 |
|
[N44]B:1217 |
22 |
1 |
638 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
8462 |
204.6 |
0.9 |
0.351 |
7 |
0 |
0 |
0.038 |
9 |
|
[N44]A:1215 |
22 |
1 |
635 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
8542 |
204.5 |
0.7 |
0.329 |
7 |
0 |
0 |
0.038 |
Average: |
204.5 |
0.8 |
0.340 |
7 |
0 |
0 |
0.038 |
6 |
10 |
|
B |
11 |
3 |
8462 |
◊ |
A |
-y+1,x-y+1,z-2/3 |
2_664 |
12 |
4 |
8542 |
102.8 |
-1.2 |
0.452 |
0 |
0 |
0 |
0.000 |
11 |
|
B |
12 |
4 |
8462 |
◊ |
A |
-y,x-y+1,z-2/3 |
2_564 |
10 |
3 |
8542 |
102.2 |
-1.2 |
0.431 |
0 |
0 |
0 |
0.000 |
Average: |
102.5 |
-1.2 |
0.441 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
[GOL]A:1214 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
8542 |
102.0 |
-0.2 |
0.649 |
1 |
0 |
0 |
0.005 |
8 |
13 |
|
[GOL]B:1216 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
8462 |
102.0 |
0.2 |
0.660 |
3 |
0 |
0 |
0.009 |
9 |
14 |
|
[SO4]B:1211 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
8462 |
101.6 |
-14.4 |
0.806 |
2 |
0 |
0 |
0.125 |
10 |
15 |
|
[SO4]A:1211 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
8542 |
101.1 |
-14.2 |
0.815 |
2 |
0 |
0 |
0.123 |
11 |
16 |
|
[SO4]A:1212 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
8542 |
93.5 |
-14.9 |
0.740 |
1 |
0 |
0 |
0.126 |
12 |
17 |
|
[SO4]B:1212 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
8462 |
92.7 |
-14.5 |
0.753 |
0 |
0 |
0 |
0.119 |
13 |
18 |
|
[EDO]A:1213 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
8462 |
80.8 |
2.7 |
0.485 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[EDO]B:1215 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
8542 |
80.4 |
1.5 |
0.282 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
[SO4]B:1210 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8462 |
79.2 |
-11.1 |
0.835 |
4 |
0 |
0 |
0.105 |
16 |
21 |
|
[SO4]A:1210 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
8542 |
79.1 |
-11.2 |
0.889 |
4 |
0 |
0 |
0.106 |
17 |
22 |
|
[EDO]B:1215 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
8462 |
66.8 |
2.2 |
0.578 |
1 |
0 |
0 |
0.000 |
18 |
23 |
|
[ACT]B:1214 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
8462 |
64.6 |
0.7 |
0.832 |
0 |
0 |
0 |
0.000 |
24 |
|
[ACT]B:1213 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
8542 |
64.2 |
0.7 |
0.825 |
0 |
0 |
0 |
0.000 |
Average: |
64.4 |
0.7 |
0.829 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[EDO]A:1213 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
8542 |
63.0 |
1.2 |
0.825 |
4 |
0 |
0 |
0.005 |
20 |
26 |
|
[ACT]B:1214 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
8542 |
56.8 |
-0.1 |
0.748 |
1 |
0 |
0 |
0.009 |
27 |
|
[ACT]B:1213 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
8462 |
56.4 |
-0.1 |
0.701 |
1 |
0 |
0 |
0.009 |
Average: |
56.6 |
-0.1 |
0.724 |
1 |
0 |
0 |
0.009 |
21 |
28 |
|
B |
5 |
2 |
8462 |
◊ |
[SO4]B:1210 |
-y+1,x-y+1,z+1/3 |
2_665 |
5 |
1 |
185 |
53.9 |
-7.2 |
0.854 |
1 |
0 |
0 |
0.000 |
22 |
29 |
|
[ACT]B:1214 |
3 |
1 |
184 |
◊ |
[ACT]B:1213 |
x,y,z |
1_555 |
3 |
1 |
183 |
43.2 |
-0.5 |
0.688 |
0 |
0 |
0 |
0.004 |
23 |
30 |
|
[SO4]A:1210 |
4 |
1 |
184 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
5 |
2 |
8542 |
36.1 |
-4.7 |
0.609 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
[SO4]B:1212 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
8542 |
33.6 |
-3.5 |
0.949 |
2 |
0 |
0 |
0.036 |
25 |
32 |
|
[SO4]A:1212 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8462 |
32.5 |
-3.4 |
0.961 |
1 |
0 |
0 |
0.031 |
26 |
33 |
|
[N44]A:1215 |
4 |
1 |
635 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
8462 |
22.1 |
0.2 |
0.226 |
0 |
0 |
0 |
0.000 |
34 |
|
A |
1 |
1 |
8542 |
◊ |
[N44]B:1217 |
-y,x-y+1,z+1/3 |
2_565 |
2 |
1 |
638 |
20.1 |
0.2 |
0.266 |
0 |
0 |
0 |
0.000 |
Average: |
21.1 |
0.2 |
0.246 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
A |
4 |
2 |
8542 |
◊ |
[GOL]B:1216 |
-y+1,x-y+1,z+1/3 |
2_665 |
2 |
1 |
222 |
18.4 |
0.3 |
0.665 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
[SO4]B:1212 |
1 |
1 |
186 |
◊ |
[SO4]A:1212 |
x,y,z |
1_555 |
1 |
1 |
186 |
14.6 |
-3.5 |
0.800 |
0 |
0 |
0 |
0.029 |
29 |
37 |
|
[N44]A:1215 |
1 |
1 |
635 |
◊ |
[GOL]B:1216 |
x,y,z |
1_555 |
1 |
1 |
222 |
14.1 |
0.2 |
0.577 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
[GOL]A:1214 |
3 |
1 |
219 |
◊ |
B |
-y,x-y+1,z+1/3 |
2_565 |
4 |
2 |
8462 |
12.4 |
0.2 |
0.602 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[N44]B:1217 |
2 |
1 |
638 |
◊ |
[GOL]A:1214 |
x,y,z |
1_555 |
1 |
1 |
219 |
9.7 |
0.1 |
0.490 |
0 |
0 |
0 |
0.000 |
32 |
40 |
|
[ACT]B:1213 |
1 |
1 |
183 |
f |
[SO4]B:1212 |
x,y,z |
1_555 |
1 |
1 |
186 |
6.2 |
-0.8 |
0.632 |
0 |
0 |
0 |
0.007 |
33 |
41 |
|
[ACT]B:1214 |
1 |
1 |
184 |
f |
[SO4]A:1212 |
x,y,z |
1_555 |
1 |
1 |
186 |
5.9 |
-0.8 |
0.632 |
0 |
0 |
0 |
0.006 |
34 |
42 |
|
[ACT]B:1213 |
1 |
1 |
183 |
◊ |
[SO4]A:1212 |
x,y,z |
1_555 |
1 |
1 |
186 |
0.2 |
-0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
|