## |
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 |
154 |
41 |
8455 |
◊ |
A |
x,y,z |
1_555 |
160 |
41 |
8483 |
1284.5 |
-15.1 |
0.330 |
20 |
2 |
0 |
0.288 |
2 |
2 |
|
A |
45 |
11 |
8483 |
x |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
47 |
16 |
8483 |
407.7 |
-6.0 |
0.289 |
2 |
0 |
0 |
0.000 |
3 |
|
B |
46 |
16 |
8455 |
x |
B |
-y,x-y,z+1/3 |
2_555 |
42 |
11 |
8455 |
358.3 |
-5.8 |
0.294 |
2 |
0 |
0 |
0.000 |
Average: |
383.0 |
-5.9 |
0.292 |
2 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
23 |
7 |
8455 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
22 |
10 |
8483 |
231.5 |
-2.3 |
0.347 |
1 |
0 |
0 |
0.000 |
5 |
|
B |
22 |
10 |
8455 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
24 |
7 |
8483 |
230.6 |
-2.3 |
0.339 |
1 |
0 |
0 |
0.000 |
Average: |
231.0 |
-2.3 |
0.343 |
1 |
0 |
0 |
0.000 |
4 |
6 |
|
[UJ6]B:1219 |
20 |
1 |
460 |
◊ |
A |
x,y,z |
1_555 |
36 |
10 |
8483 |
209.4 |
2.2 |
0.445 |
0 |
0 |
0 |
0.000 |
7 |
|
[UJ6]A:1216 |
19 |
1 |
458 |
◊ |
B |
x,y,z |
1_555 |
33 |
9 |
8455 |
203.0 |
2.1 |
0.420 |
0 |
0 |
0 |
0.000 |
Average: |
206.2 |
2.2 |
0.432 |
0 |
0 |
0 |
0.000 |
5 |
8 |
|
[UJ6]B:1219 |
18 |
1 |
460 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
8455 |
163.4 |
0.7 |
0.299 |
5 |
0 |
0 |
0.035 |
9 |
|
[UJ6]A:1216 |
18 |
1 |
458 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
8483 |
162.6 |
0.7 |
0.291 |
5 |
0 |
0 |
0.035 |
Average: |
163.0 |
0.7 |
0.295 |
5 |
0 |
0 |
0.035 |
6 |
10 |
|
A |
12 |
4 |
8483 |
◊ |
B |
-y+1,x-y+1,z-2/3 |
2_664 |
12 |
4 |
8455 |
103.7 |
-1.3 |
0.435 |
0 |
0 |
0 |
0.000 |
11 |
|
A |
11 |
4 |
8483 |
◊ |
B |
-y,x-y,z-2/3 |
2_554 |
11 |
3 |
8455 |
101.8 |
-1.4 |
0.407 |
0 |
0 |
0 |
0.000 |
Average: |
102.7 |
-1.3 |
0.421 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
[SO4]A:1211 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
8483 |
101.3 |
-13.9 |
0.827 |
3 |
0 |
0 |
0.181 |
8 |
13 |
|
[SO4]B:1211 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
8455 |
101.1 |
-13.9 |
0.831 |
3 |
0 |
0 |
0.181 |
9 |
14 |
|
[ACT]B:1212 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
8455 |
98.0 |
-0.8 |
0.646 |
0 |
0 |
0 |
0.009 |
10 |
15 |
|
[ACT]A:1212 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
8483 |
97.2 |
-0.7 |
0.646 |
0 |
0 |
0 |
0.008 |
11 |
16 |
|
[ACT]A:1214 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
8483 |
80.9 |
-0.2 |
0.712 |
0 |
0 |
0 |
0.002 |
12 |
17 |
|
[SO4]A:1210 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8483 |
79.0 |
-11.2 |
0.825 |
4 |
0 |
0 |
0.154 |
13 |
18 |
|
[SO4]B:1210 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8455 |
78.7 |
-11.1 |
0.886 |
4 |
0 |
0 |
0.153 |
14 |
19 |
|
[ACT]A:1213 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8483 |
73.8 |
0.5 |
0.776 |
5 |
0 |
0 |
0.020 |
15 |
20 |
|
[EDO]B:1217 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
8455 |
72.4 |
1.5 |
0.769 |
2 |
0 |
0 |
0.000 |
16 |
21 |
|
[ACT]B:1213 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
8455 |
68.7 |
0.6 |
0.777 |
6 |
0 |
0 |
0.024 |
17 |
22 |
|
[EDO]A:1215 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
8483 |
68.3 |
1.2 |
0.771 |
2 |
0 |
0 |
0.000 |
18 |
23 |
|
[EDO]B:1218 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
8483 |
68.2 |
1.4 |
0.444 |
1 |
0 |
0 |
0.000 |
19 |
24 |
|
[ACT]B:1214 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
8455 |
66.8 |
-0.2 |
0.673 |
0 |
0 |
0 |
0.003 |
20 |
25 |
|
[ACT]A:1214 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
8455 |
65.8 |
-0.8 |
0.617 |
0 |
0 |
0 |
0.009 |
21 |
26 |
|
[ACT]B:1216 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
8455 |
65.8 |
0.7 |
0.829 |
0 |
0 |
0 |
0.000 |
27 |
|
[ACT]B:1215 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
8483 |
65.5 |
0.7 |
0.827 |
0 |
0 |
0 |
0.000 |
Average: |
65.7 |
0.7 |
0.828 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[EDO]B:1218 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
8455 |
62.4 |
0.9 |
0.234 |
1 |
0 |
0 |
0.000 |
23 |
29 |
|
[ACT]B:1214 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
8483 |
58.9 |
-0.7 |
0.620 |
0 |
0 |
0 |
0.008 |
24 |
30 |
|
[ACT]B:1216 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
8483 |
56.6 |
-0.0 |
0.752 |
1 |
0 |
0 |
0.000 |
31 |
|
[ACT]B:1215 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
8455 |
56.5 |
-0.0 |
0.751 |
1 |
0 |
0 |
0.000 |
Average: |
56.5 |
-0.0 |
0.751 |
1 |
0 |
0 |
0.000 |
25 |
32 |
|
[ACT]B:1216 |
3 |
1 |
182 |
f |
[ACT]B:1215 |
x,y,z |
1_555 |
3 |
1 |
182 |
46.3 |
-0.7 |
0.688 |
0 |
0 |
0 |
0.100 |
26 |
33 |
|
[EDO]A:1215 |
3 |
1 |
185 |
◊ |
[ACT]A:1213 |
x,y,z |
1_555 |
3 |
1 |
183 |
45.2 |
1.0 |
0.829 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[SO4]B:1210 |
5 |
1 |
186 |
◊ |
B |
-y,x-y,z+1/3 |
2_555 |
6 |
2 |
8455 |
45.0 |
-5.7 |
0.848 |
1 |
0 |
0 |
0.000 |
28 |
35 |
|
[EDO]B:1217 |
4 |
1 |
185 |
◊ |
[ACT]B:1213 |
x,y,z |
1_555 |
3 |
1 |
183 |
40.5 |
1.2 |
0.829 |
0 |
0 |
0 |
0.000 |
29 |
36 |
|
[EDO]B:1218 |
4 |
1 |
186 |
f |
[ACT]B:1214 |
x,y,z |
1_555 |
4 |
1 |
182 |
31.0 |
0.2 |
0.848 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
A |
4 |
2 |
8483 |
◊ |
[SO4]A:1210 |
-y+1,x-y+1,z+1/3 |
2_665 |
4 |
1 |
185 |
29.4 |
-3.8 |
0.620 |
0 |
0 |
0 |
0.000 |
31 |
38 |
|
[ACT]A:1212 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
8455 |
28.6 |
0.8 |
0.886 |
2 |
0 |
0 |
0.001 |
32 |
39 |
|
[ACT]B:1212 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
8483 |
28.3 |
0.8 |
0.888 |
2 |
0 |
0 |
0.002 |
33 |
40 |
|
B |
6 |
2 |
8455 |
f |
[EDO]A:1215 |
-y+1,x-y+1,z+1/3 |
2_665 |
3 |
1 |
185 |
16.6 |
0.2 |
0.746 |
0 |
0 |
0 |
0.000 |
34 |
41 |
|
[EDO]B:1217 |
1 |
1 |
185 |
f |
A |
-y,x-y,z+1/3 |
2_555 |
6 |
2 |
8483 |
14.3 |
0.3 |
0.780 |
0 |
0 |
0 |
0.000 |
35 |
42 |
|
[ACT]B:1212 |
3 |
1 |
184 |
◊ |
[ACT]A:1212 |
x,y,z |
1_555 |
2 |
1 |
182 |
11.3 |
0.2 |
0.718 |
0 |
0 |
0 |
0.000 |
36 |
43 |
|
[ACT]B:1213 |
1 |
1 |
183 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
3 |
1 |
8483 |
7.9 |
-0.2 |
0.563 |
0 |
0 |
0 |
0.000 |
37 |
44 |
|
B |
1 |
1 |
8455 |
◊ |
[UJ6]A:1216 |
-y,x-y,z+1/3 |
2_555 |
1 |
1 |
458 |
4.4 |
-0.1 |
0.395 |
0 |
0 |
0 |
0.000 |
45 |
|
[UJ6]B:1219 |
1 |
1 |
460 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
8483 |
4.0 |
-0.1 |
0.398 |
0 |
0 |
0 |
0.000 |
Average: |
4.2 |
-0.1 |
0.396 |
0 |
0 |
0 |
0.000 |
38 |
46 |
|
B |
1 |
1 |
8455 |
◊ |
[ACT]A:1213 |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
183 |
3.1 |
-0.1 |
0.470 |
0 |
0 |
0 |
0.000 |
|