## |
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 |
39 |
8418 |
◊ |
A |
x,y,z |
1_555 |
152 |
41 |
8525 |
1324.4 |
-14.8 |
0.378 |
21 |
2 |
0 |
0.193 |
2 |
2 |
|
A |
54 |
17 |
8525 |
x |
A |
-y,x-y+1,z+1/3 |
2_565 |
48 |
12 |
8525 |
443.7 |
-5.5 |
0.391 |
4 |
2 |
0 |
0.000 |
3 |
|
B |
46 |
11 |
8418 |
x |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
54 |
20 |
8418 |
388.7 |
-5.3 |
0.419 |
4 |
0 |
0 |
0.000 |
Average: |
416.2 |
-5.4 |
0.405 |
4 |
1 |
0 |
0.000 |
3 |
4 |
|
A |
24 |
7 |
8525 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
22 |
10 |
8418 |
237.4 |
-3.1 |
0.320 |
1 |
0 |
0 |
0.000 |
5 |
|
A |
24 |
10 |
8525 |
◊ |
B |
-y,x-y+1,z+1/3 |
2_565 |
24 |
7 |
8418 |
233.9 |
-2.5 |
0.370 |
1 |
0 |
0 |
0.000 |
Average: |
235.6 |
-2.8 |
0.345 |
1 |
0 |
0 |
0.000 |
4 |
6 |
|
[PX3]A:1214 |
20 |
1 |
645 |
◊ |
B |
x,y,z |
1_555 |
35 |
9 |
8418 |
234.4 |
2.7 |
0.472 |
0 |
0 |
0 |
0.000 |
7 |
|
[PX3]B:1216 |
21 |
1 |
645 |
◊ |
A |
x,y,z |
1_555 |
36 |
9 |
8525 |
233.0 |
2.9 |
0.436 |
0 |
0 |
0 |
0.000 |
Average: |
233.7 |
2.8 |
0.454 |
0 |
0 |
0 |
0.000 |
5 |
8 |
|
[PX3]A:1214 |
20 |
1 |
645 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
8525 |
201.9 |
0.7 |
0.322 |
7 |
0 |
0 |
0.038 |
9 |
|
[PX3]B:1216 |
20 |
1 |
645 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
8418 |
201.0 |
0.7 |
0.300 |
7 |
0 |
0 |
0.038 |
Average: |
201.4 |
0.7 |
0.311 |
7 |
0 |
0 |
0.038 |
6 |
10 |
|
[GOL]B:1215 |
6 |
1 |
227 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
8418 |
104.5 |
0.5 |
0.702 |
4 |
0 |
0 |
0.010 |
7 |
11 |
|
B |
13 |
4 |
8418 |
◊ |
A |
-y,x-y+1,z-2/3 |
2_564 |
10 |
3 |
8525 |
103.5 |
-1.0 |
0.484 |
0 |
0 |
0 |
0.000 |
12 |
|
B |
10 |
3 |
8418 |
◊ |
A |
-y+1,x-y+1,z-2/3 |
2_664 |
11 |
4 |
8525 |
100.7 |
-1.2 |
0.420 |
0 |
0 |
0 |
0.000 |
Average: |
102.1 |
-1.1 |
0.452 |
0 |
0 |
0 |
0.000 |
8 |
13 |
|
[GOL]A:1213 |
6 |
1 |
226 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
8525 |
101.8 |
0.6 |
0.688 |
4 |
0 |
0 |
0.010 |
9 |
14 |
|
[SO4]A:1211 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
8525 |
101.7 |
-14.5 |
0.785 |
2 |
0 |
0 |
0.122 |
10 |
15 |
|
[SO4]B:1211 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
8418 |
100.8 |
-14.4 |
0.809 |
2 |
0 |
0 |
0.121 |
11 |
16 |
|
[SO4]A:1212 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
8525 |
93.8 |
-14.7 |
0.749 |
1 |
0 |
0 |
0.120 |
12 |
17 |
|
[SO4]B:1212 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
8418 |
93.4 |
-14.9 |
0.755 |
1 |
0 |
0 |
0.121 |
13 |
18 |
|
[SO4]A:1210 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8525 |
80.1 |
-11.4 |
0.832 |
5 |
0 |
0 |
0.108 |
14 |
19 |
|
[SO4]B:1210 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8418 |
79.5 |
-11.4 |
0.896 |
4 |
0 |
0 |
0.104 |
15 |
20 |
|
[ACT]B:1214 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
8418 |
66.1 |
0.8 |
0.713 |
0 |
0 |
0 |
0.000 |
21 |
|
[ACT]B:1213 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
8525 |
66.0 |
0.7 |
0.803 |
0 |
0 |
0 |
0.000 |
Average: |
66.1 |
0.8 |
0.758 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
B |
5 |
2 |
8418 |
◊ |
[SO4]B:1210 |
-y+1,x-y+1,z+1/3 |
2_665 |
5 |
1 |
186 |
58.0 |
-7.3 |
0.903 |
1 |
0 |
0 |
0.000 |
17 |
23 |
|
[ACT]B:1214 |
3 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
8525 |
56.3 |
-0.0 |
0.583 |
1 |
0 |
0 |
0.007 |
24 |
|
[ACT]B:1213 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
8418 |
55.6 |
0.0 |
0.712 |
1 |
0 |
0 |
0.007 |
Average: |
55.9 |
-0.0 |
0.647 |
1 |
0 |
0 |
0.007 |
18 |
25 |
|
[ACT]B:1214 |
3 |
1 |
186 |
◊ |
[ACT]B:1213 |
x,y,z |
1_555 |
3 |
1 |
185 |
43.1 |
-0.5 |
0.491 |
0 |
0 |
0 |
0.004 |
19 |
26 |
|
[SO4]A:1210 |
4 |
1 |
185 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
4 |
2 |
8525 |
36.9 |
-4.8 |
0.639 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[SO4]B:1212 |
3 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8525 |
34.1 |
-3.2 |
0.955 |
2 |
0 |
0 |
0.032 |
21 |
28 |
|
[SO4]A:1212 |
3 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8418 |
33.2 |
-3.1 |
0.957 |
1 |
0 |
0 |
0.028 |
22 |
29 |
|
[GOL]A:1213 |
3 |
1 |
226 |
◊ |
B |
-y,x-y+1,z+1/3 |
2_565 |
4 |
2 |
8418 |
26.2 |
0.2 |
0.601 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
A |
1 |
1 |
8525 |
◊ |
[PX3]B:1216 |
-y,x-y+1,z+1/3 |
2_565 |
3 |
1 |
645 |
24.3 |
0.2 |
0.214 |
0 |
0 |
0 |
0.000 |
31 |
|
[PX3]A:1214 |
3 |
1 |
645 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
8418 |
23.4 |
0.3 |
0.226 |
0 |
0 |
0 |
0.000 |
Average: |
23.9 |
0.3 |
0.220 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
A |
4 |
2 |
8525 |
◊ |
[GOL]B:1215 |
-y+1,x-y+1,z+1/3 |
2_665 |
3 |
1 |
227 |
22.9 |
0.4 |
0.639 |
1 |
0 |
0 |
0.000 |
25 |
33 |
|
[SO4]B:1212 |
1 |
1 |
188 |
◊ |
[SO4]A:1212 |
x,y,z |
1_555 |
1 |
1 |
189 |
15.3 |
-3.7 |
0.800 |
0 |
0 |
0 |
0.029 |
26 |
34 |
|
[PX3]A:1214 |
1 |
1 |
645 |
◊ |
[GOL]B:1215 |
x,y,z |
1_555 |
2 |
1 |
227 |
11.9 |
0.3 |
0.600 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
[PX3]B:1216 |
1 |
1 |
645 |
◊ |
[GOL]A:1213 |
x,y,z |
1_555 |
2 |
1 |
226 |
10.2 |
0.3 |
0.600 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
[ACT]B:1214 |
1 |
1 |
186 |
f |
[SO4]A:1212 |
x,y,z |
1_555 |
1 |
1 |
189 |
6.9 |
-0.9 |
0.632 |
0 |
0 |
0 |
0.007 |
29 |
37 |
|
[ACT]B:1213 |
1 |
1 |
185 |
f |
[SO4]B:1212 |
x,y,z |
1_555 |
1 |
1 |
188 |
5.5 |
-0.7 |
0.632 |
0 |
0 |
0 |
0.006 |
30 |
38 |
|
[ACT]B:1213 |
1 |
1 |
185 |
◊ |
[SO4]A:1212 |
x,y,z |
1_555 |
1 |
1 |
189 |
1.2 |
-0.2 |
0.707 |
0 |
0 |
0 |
0.001 |
|