## |
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 |
152 |
39 |
8524 |
◊ |
A |
x,y,z |
1_555 |
154 |
40 |
8468 |
1310.2 |
-17.6 |
0.249 |
20 |
3 |
0 |
0.146 |
2 |
2 |
|
A |
54 |
17 |
8468 |
x |
A |
-y,x-y,z+1/3 |
2_555 |
46 |
11 |
8468 |
440.8 |
-5.5 |
0.378 |
4 |
2 |
0 |
0.000 |
3 |
|
B |
47 |
12 |
8524 |
x |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
54 |
19 |
8524 |
403.1 |
-6.3 |
0.331 |
4 |
0 |
0 |
0.000 |
Average: |
422.0 |
-5.9 |
0.354 |
4 |
1 |
0 |
0.000 |
3 |
4 |
|
[B0T]B:1217 |
23 |
1 |
688 |
◊ |
A |
x,y,z |
1_555 |
39 |
11 |
8468 |
275.5 |
0.3 |
0.397 |
0 |
0 |
0 |
0.000 |
5 |
|
[B0T]A:1215 |
23 |
1 |
691 |
◊ |
B |
x,y,z |
1_555 |
42 |
11 |
8524 |
273.5 |
0.4 |
0.415 |
0 |
0 |
0 |
0.000 |
Average: |
274.5 |
0.4 |
0.406 |
0 |
0 |
0 |
0.000 |
4 |
6 |
|
A |
25 |
8 |
8468 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
21 |
9 |
8524 |
239.9 |
-3.0 |
0.296 |
1 |
0 |
0 |
0.000 |
7 |
|
A |
22 |
10 |
8468 |
◊ |
B |
-y,x-y,z+1/3 |
2_555 |
23 |
8 |
8524 |
238.8 |
-2.9 |
0.294 |
1 |
0 |
0 |
0.000 |
Average: |
239.4 |
-3.0 |
0.295 |
1 |
0 |
0 |
0.000 |
5 |
8 |
|
[B0T]B:1217 |
25 |
1 |
688 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
8524 |
213.6 |
-0.1 |
0.346 |
4 |
0 |
0 |
0.023 |
9 |
|
[B0T]A:1215 |
25 |
1 |
691 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
8468 |
212.6 |
0.3 |
0.376 |
6 |
0 |
0 |
0.023 |
Average: |
213.1 |
0.1 |
0.361 |
5 |
0 |
0 |
0.023 |
6 |
10 |
|
[SO4]A:1211 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
8468 |
101.9 |
-14.5 |
0.803 |
2 |
0 |
0 |
0.083 |
7 |
11 |
|
B |
12 |
4 |
8524 |
◊ |
A |
-y,x-y,z-2/3 |
2_554 |
11 |
4 |
8468 |
101.5 |
-1.5 |
0.420 |
0 |
0 |
0 |
0.000 |
12 |
|
B |
11 |
3 |
8524 |
◊ |
A |
-y+1,x-y+1,z-2/3 |
2_664 |
13 |
4 |
8468 |
101.1 |
-1.3 |
0.466 |
0 |
0 |
0 |
0.000 |
Average: |
101.3 |
-1.4 |
0.443 |
0 |
0 |
0 |
0.000 |
8 |
13 |
|
[SO4]B:1212 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
8524 |
101.4 |
-14.0 |
0.870 |
4 |
0 |
0 |
0.085 |
9 |
14 |
|
[SO4]A:1212 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
8468 |
97.7 |
-16.0 |
0.740 |
1 |
0 |
0 |
0.089 |
10 |
15 |
|
[SO4]B:1213 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
8524 |
96.9 |
-15.7 |
0.745 |
1 |
0 |
0 |
0.088 |
11 |
16 |
|
[ACT]B:1215 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
8468 |
86.1 |
0.1 |
0.707 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[SO4]A:1213 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
8468 |
80.0 |
-11.8 |
0.785 |
6 |
0 |
0 |
0.079 |
13 |
18 |
|
[SO4]B:1211 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8524 |
78.6 |
-11.2 |
0.832 |
4 |
0 |
0 |
0.070 |
14 |
19 |
|
[SO4]B:1214 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8524 |
78.4 |
-11.5 |
0.786 |
6 |
0 |
0 |
0.077 |
15 |
20 |
|
[SO4]A:1210 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8468 |
78.2 |
-11.0 |
0.829 |
4 |
0 |
0 |
0.070 |
16 |
21 |
|
[CL]A:1214 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8468 |
58.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.081 |
22 |
|
[CL]B:1216 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8524 |
58.2 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
58.2 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.081 |
17 |
23 |
|
B |
5 |
2 |
8524 |
◊ |
[SO4]B:1211 |
-y+1,x-y+1,z+1/3 |
2_665 |
5 |
1 |
185 |
55.8 |
-7.3 |
0.822 |
1 |
0 |
0 |
0.000 |
18 |
24 |
|
[ACT]B:1215 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
8524 |
52.3 |
0.9 |
0.837 |
2 |
0 |
0 |
0.000 |
19 |
25 |
|
[CL]A:1214 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
8524 |
44.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.059 |
26 |
|
[CL]B:1216 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
8468 |
43.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.059 |
Average: |
44.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.059 |
20 |
27 |
|
[SO4]A:1210 |
5 |
1 |
185 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
4 |
2 |
8468 |
38.5 |
-4.9 |
0.669 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
[SO4]B:1213 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
8468 |
31.6 |
-3.1 |
0.946 |
1 |
0 |
0 |
0.019 |
22 |
29 |
|
[SO4]A:1212 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
8524 |
30.4 |
-3.0 |
0.968 |
1 |
0 |
0 |
0.019 |
23 |
30 |
|
A |
3 |
2 |
8468 |
◊ |
[B0T]B:1217 |
-y,x-y,z+1/3 |
2_555 |
3 |
1 |
688 |
28.2 |
0.3 |
0.396 |
0 |
0 |
0 |
0.000 |
31 |
|
[B0T]A:1215 |
3 |
1 |
691 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
3 |
2 |
8524 |
28.1 |
0.3 |
0.398 |
0 |
0 |
0 |
0.000 |
Average: |
28.2 |
0.3 |
0.397 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[SO4]B:1213 |
1 |
1 |
185 |
◊ |
[SO4]A:1212 |
x,y,z |
1_555 |
1 |
1 |
185 |
11.5 |
-2.8 |
0.800 |
0 |
0 |
0 |
0.015 |
25 |
33 |
|
[SO4]A:1213 |
1 |
1 |
185 |
◊ |
B |
-y,x-y,z+1/3 |
2_555 |
1 |
1 |
8524 |
9.1 |
-1.3 |
0.470 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
A |
1 |
1 |
8468 |
◊ |
[SO4]B:1214 |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
185 |
9.0 |
-1.2 |
0.464 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
[ACT]B:1215 |
1 |
1 |
182 |
f |
[SO4]B:1213 |
x,y,z |
1_555 |
1 |
1 |
185 |
2.2 |
-0.2 |
0.707 |
0 |
0 |
0 |
0.001 |
|