## |
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 |
8368 |
◊ |
A |
x,y,z |
1_555 |
158 |
41 |
8346 |
1383.0 |
-15.2 |
0.338 |
22 |
2 |
0 |
0.138 |
2 |
2 |
|
A |
50 |
16 |
8346 |
x |
A |
-y,x-y+1,z+1/3 |
2_565 |
48 |
11 |
8346 |
422.5 |
-5.4 |
0.376 |
4 |
1 |
0 |
0.000 |
3 |
|
B |
47 |
12 |
8368 |
x |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
52 |
19 |
8368 |
386.8 |
-4.9 |
0.418 |
5 |
0 |
0 |
0.000 |
Average: |
404.7 |
-5.1 |
0.397 |
5 |
1 |
0 |
0.000 |
3 |
4 |
|
A |
25 |
7 |
8346 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
22 |
10 |
8368 |
244.9 |
-3.1 |
0.287 |
1 |
0 |
0 |
0.000 |
5 |
|
A |
22 |
10 |
8346 |
◊ |
B |
-y,x-y+1,z+1/3 |
2_565 |
25 |
7 |
8368 |
243.7 |
-3.2 |
0.287 |
1 |
0 |
0 |
0.000 |
Average: |
244.3 |
-3.2 |
0.287 |
1 |
0 |
0 |
0.000 |
4 |
6 |
|
[Y7N]A:1215 |
23 |
1 |
632 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
8346 |
228.8 |
0.4 |
0.455 |
7 |
0 |
0 |
0.038 |
7 |
|
[Y7N]B:1217 |
23 |
1 |
634 |
f |
B |
x,y,z |
1_555 |
27 |
9 |
8368 |
222.9 |
-1.5 |
0.398 |
6 |
0 |
0 |
0.038 |
Average: |
225.9 |
-0.6 |
0.426 |
7 |
0 |
0 |
0.038 |
5 |
8 |
|
[Y7N]B:1217 |
21 |
1 |
634 |
◊ |
A |
x,y,z |
1_555 |
36 |
10 |
8346 |
217.9 |
2.0 |
0.572 |
0 |
0 |
0 |
0.000 |
9 |
|
[Y7N]A:1215 |
22 |
1 |
632 |
◊ |
B |
x,y,z |
1_555 |
36 |
10 |
8368 |
217.3 |
2.0 |
0.541 |
0 |
0 |
0 |
0.000 |
Average: |
217.6 |
2.0 |
0.557 |
0 |
0 |
0 |
0.000 |
6 |
10 |
|
B |
13 |
4 |
8368 |
◊ |
A |
-y,x-y+1,z-2/3 |
2_564 |
11 |
3 |
8346 |
108.7 |
-1.3 |
0.423 |
0 |
0 |
0 |
0.000 |
11 |
|
B |
12 |
3 |
8368 |
◊ |
A |
-y+1,x-y+1,z-2/3 |
2_664 |
13 |
4 |
8346 |
104.1 |
-1.5 |
0.382 |
0 |
0 |
0 |
0.000 |
Average: |
106.4 |
-1.4 |
0.403 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
[SO4]B:1210 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
8368 |
101.3 |
-14.2 |
0.830 |
3 |
0 |
0 |
0.085 |
8 |
13 |
|
[SO4]A:1210 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
8346 |
100.9 |
-14.1 |
0.828 |
3 |
0 |
0 |
0.085 |
9 |
14 |
|
[SO4]B:1212 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
8368 |
98.8 |
-16.0 |
0.755 |
1 |
0 |
0 |
0.090 |
10 |
15 |
|
[SO4]A:1212 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
8346 |
98.2 |
-15.8 |
0.749 |
1 |
0 |
0 |
0.089 |
11 |
16 |
|
[SO4]A:1209 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8346 |
80.5 |
-11.5 |
0.891 |
5 |
0 |
0 |
0.075 |
12 |
17 |
|
[SO4]B:1209 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8368 |
80.1 |
-11.5 |
0.894 |
4 |
0 |
0 |
0.073 |
13 |
18 |
|
[SO4]A:1211 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
8346 |
79.6 |
-11.7 |
0.839 |
5 |
0 |
0 |
0.076 |
14 |
19 |
|
[SO4]B:1211 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8368 |
78.3 |
-11.5 |
0.841 |
5 |
0 |
0 |
0.075 |
15 |
20 |
|
[CL]A:1213 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
8346 |
58.3 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.080 |
21 |
|
[CL]B:1213 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8368 |
58.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
58.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.080 |
16 |
22 |
|
B |
5 |
2 |
8368 |
◊ |
[SO4]B:1209 |
-y+1,x-y+1,z+1/3 |
2_665 |
4 |
1 |
187 |
56.5 |
-6.9 |
0.909 |
2 |
0 |
0 |
0.000 |
17 |
23 |
|
[CL]A:1213 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
8368 |
45.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.063 |
24 |
|
[CL]B:1213 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
8346 |
45.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
45.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.063 |
18 |
25 |
|
[SO4]A:1212 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
8368 |
34.6 |
-3.6 |
0.953 |
1 |
0 |
0 |
0.022 |
19 |
26 |
|
[SO4]A:1209 |
3 |
1 |
187 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
4 |
2 |
8346 |
34.2 |
-4.3 |
0.670 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[SO4]B:1212 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8346 |
31.9 |
-3.3 |
0.957 |
1 |
0 |
0 |
0.021 |
21 |
28 |
|
A |
2 |
1 |
8346 |
◊ |
[SO4]B:1211 |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
185 |
9.9 |
-1.4 |
0.569 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
[SO4]B:1212 |
2 |
1 |
186 |
◊ |
[SO4]A:1212 |
x,y,z |
1_555 |
1 |
1 |
186 |
9.9 |
-2.3 |
0.876 |
0 |
0 |
0 |
0.013 |
23 |
30 |
|
[Y7N]B:1217 |
1 |
1 |
634 |
◊ |
A |
-y,x-y+1,z-2/3 |
2_564 |
1 |
1 |
8346 |
9.8 |
0.2 |
0.680 |
0 |
0 |
0 |
0.000 |
31 |
|
B |
2 |
1 |
8368 |
◊ |
[Y7N]A:1215 |
-y+1,x-y+1,z-2/3 |
2_664 |
1 |
1 |
632 |
8.8 |
0.2 |
0.655 |
0 |
0 |
0 |
0.000 |
Average: |
9.3 |
0.2 |
0.668 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[SO4]A:1211 |
1 |
1 |
187 |
◊ |
B |
-y,x-y+1,z+1/3 |
2_565 |
2 |
1 |
8368 |
9.7 |
-1.4 |
0.572 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
A |
1 |
1 |
8346 |
◊ |
[Y7N]B:1217 |
-y,x-y+1,z+1/3 |
2_565 |
2 |
1 |
634 |
5.2 |
-0.1 |
0.377 |
0 |
0 |
0 |
0.000 |
34 |
|
[Y7N]A:1215 |
2 |
1 |
632 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
8368 |
4.8 |
-0.1 |
0.383 |
0 |
0 |
0 |
0.000 |
Average: |
5.0 |
-0.1 |
0.380 |
0 |
0 |
0 |
0.000 |
|