## |
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 |
40 |
8528 |
◊ |
A |
x,y,z |
1_555 |
153 |
39 |
8605 |
1367.1 |
-17.0 |
0.288 |
21 |
2 |
0 |
0.166 |
2 |
2 |
|
A |
52 |
17 |
8605 |
x |
A |
-y,x-y+1,z+1/3 |
2_565 |
51 |
13 |
8605 |
458.1 |
-6.2 |
0.353 |
4 |
0 |
0 |
0.000 |
3 |
|
B |
51 |
13 |
8528 |
x |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
54 |
20 |
8528 |
432.2 |
-5.6 |
0.395 |
4 |
0 |
0 |
0.000 |
Average: |
445.1 |
-5.9 |
0.374 |
4 |
0 |
0 |
0.000 |
3 |
4 |
|
[ZSW]A:1217 |
24 |
1 |
736 |
f |
B |
x,y,z |
1_555 |
43 |
11 |
8528 |
293.0 |
-1.7 |
0.446 |
0 |
0 |
0 |
0.021 |
5 |
|
[ZSW]B:1216 |
23 |
1 |
733 |
f |
A |
x,y,z |
1_555 |
40 |
11 |
8605 |
288.7 |
-1.8 |
0.426 |
0 |
0 |
0 |
0.021 |
Average: |
290.8 |
-1.7 |
0.436 |
0 |
0 |
0 |
0.021 |
4 |
6 |
|
A |
23 |
10 |
8605 |
◊ |
B |
-y,x-y+1,z+1/3 |
2_565 |
24 |
8 |
8528 |
242.2 |
-2.2 |
0.374 |
1 |
0 |
0 |
0.000 |
7 |
|
A |
25 |
8 |
8605 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
22 |
10 |
8528 |
237.2 |
-2.9 |
0.311 |
1 |
0 |
0 |
0.000 |
Average: |
239.7 |
-2.6 |
0.342 |
1 |
0 |
0 |
0.000 |
5 |
8 |
|
[ZSW]B:1216 |
27 |
1 |
733 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
8528 |
214.0 |
1.9 |
0.571 |
4 |
0 |
0 |
0.000 |
9 |
|
[ZSW]A:1217 |
27 |
1 |
736 |
◊ |
A |
x,y,z |
1_555 |
24 |
8 |
8605 |
212.6 |
1.8 |
0.584 |
4 |
0 |
0 |
0.000 |
Average: |
213.3 |
1.9 |
0.578 |
4 |
0 |
0 |
0.000 |
6 |
10 |
|
[GOL]A:1216 |
5 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
8605 |
105.6 |
0.3 |
0.643 |
4 |
0 |
0 |
0.009 |
7 |
11 |
|
[GOL]B:1215 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
8528 |
105.1 |
0.6 |
0.743 |
4 |
0 |
0 |
0.008 |
8 |
12 |
|
B |
14 |
5 |
8528 |
◊ |
A |
-y,x-y+1,z-2/3 |
2_564 |
10 |
4 |
8605 |
104.8 |
-1.3 |
0.431 |
0 |
0 |
0 |
0.000 |
13 |
|
B |
10 |
3 |
8528 |
◊ |
A |
-y+1,x-y+1,z-2/3 |
2_664 |
12 |
4 |
8605 |
100.3 |
-1.3 |
0.438 |
0 |
0 |
0 |
0.000 |
Average: |
102.6 |
-1.3 |
0.435 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
[SO4]B:1212 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
8528 |
100.8 |
-13.9 |
0.886 |
5 |
0 |
0 |
0.100 |
10 |
15 |
|
[SO4]A:1212 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
8605 |
100.6 |
-13.7 |
0.882 |
5 |
0 |
0 |
0.099 |
11 |
16 |
|
[SO4]B:1213 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
8528 |
96.7 |
-15.4 |
0.744 |
1 |
0 |
0 |
0.099 |
12 |
17 |
|
[SO4]A:1213 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
8605 |
96.3 |
-15.4 |
0.743 |
1 |
0 |
0 |
0.099 |
13 |
18 |
|
[SO4]A:1211 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8605 |
79.4 |
-11.2 |
0.896 |
5 |
0 |
0 |
0.084 |
14 |
19 |
|
[SO4]B:1211 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8528 |
78.8 |
-11.0 |
0.894 |
5 |
0 |
0 |
0.083 |
15 |
20 |
|
[CL]A:1214 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
8605 |
60.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.095 |
21 |
|
[CL]B:1214 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8528 |
58.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.095 |
Average: |
59.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.095 |
16 |
22 |
|
B |
5 |
2 |
8528 |
◊ |
[SO4]B:1211 |
-y+1,x-y+1,z+1/3 |
2_665 |
5 |
1 |
185 |
57.6 |
-7.4 |
0.878 |
1 |
0 |
0 |
0.000 |
17 |
23 |
|
[CL]B:1214 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
8605 |
44.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.068 |
24 |
|
[CL]A:1214 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
8528 |
44.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.068 |
Average: |
44.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.068 |
18 |
25 |
|
[SO4]A:1211 |
5 |
1 |
184 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
5 |
2 |
8605 |
41.3 |
-5.1 |
0.723 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
[SO4]A:1213 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
8528 |
33.5 |
-3.2 |
0.951 |
1 |
0 |
0 |
0.023 |
20 |
27 |
|
[SO4]B:1213 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
8605 |
33.5 |
-3.3 |
0.946 |
1 |
0 |
0 |
0.023 |
21 |
28 |
|
A |
3 |
2 |
8605 |
◊ |
[ZSW]B:1216 |
-y,x-y+1,z+1/3 |
2_565 |
2 |
1 |
733 |
28.8 |
-1.1 |
0.234 |
0 |
0 |
0 |
0.000 |
29 |
|
[ZSW]A:1217 |
2 |
1 |
736 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
3 |
2 |
8528 |
27.8 |
-1.0 |
0.251 |
0 |
0 |
0 |
0.000 |
Average: |
28.3 |
-1.0 |
0.242 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[ZSW]A:1217 |
2 |
1 |
736 |
f |
[GOL]B:1215 |
x,y,z |
1_555 |
1 |
1 |
220 |
20.9 |
-0.1 |
0.410 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[SO4]B:1213 |
1 |
1 |
185 |
◊ |
[SO4]A:1213 |
x,y,z |
1_555 |
1 |
1 |
185 |
14.0 |
-3.4 |
0.800 |
0 |
0 |
0 |
0.021 |
24 |
32 |
|
[ZSW]B:1216 |
2 |
1 |
733 |
f |
[GOL]A:1216 |
x,y,z |
1_555 |
2 |
1 |
222 |
13.2 |
-0.4 |
0.370 |
0 |
0 |
0 |
0.003 |
25 |
33 |
|
[GOL]A:1216 |
2 |
1 |
222 |
◊ |
B |
-y,x-y+1,z+1/3 |
2_565 |
4 |
2 |
8528 |
8.8 |
0.1 |
0.640 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
A |
1 |
1 |
8605 |
◊ |
[GOL]B:1215 |
-y+1,x-y+1,z+1/3 |
2_665 |
2 |
1 |
220 |
3.8 |
-0.1 |
0.494 |
0 |
0 |
0 |
0.000 |
|