## |
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 |
93 |
29 |
15210 |
◊ |
A |
x,y,z |
1_555 |
88 |
27 |
15111 |
925.3 |
-12.0 |
0.037 |
7 |
0 |
0 |
0.139 |
2 |
2 |
|
A |
55 |
19 |
15111 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
51 |
21 |
15210 |
443.0 |
-3.2 |
0.310 |
3 |
1 |
0 |
0.000 |
3 |
3 |
|
A |
41 |
13 |
15111 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
40 |
15 |
15210 |
365.5 |
-0.3 |
0.597 |
3 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
35 |
15 |
15111 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
41 |
16 |
15210 |
339.3 |
-0.9 |
0.469 |
1 |
1 |
0 |
0.000 |
5 |
5 |
|
A |
27 |
8 |
15111 |
x |
A |
x-1,y,z |
1_455 |
30 |
11 |
15111 |
266.9 |
1.1 |
0.737 |
4 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
29 |
10 |
15210 |
x |
B |
x,y,z-1 |
1_554 |
19 |
9 |
15210 |
224.9 |
0.1 |
0.614 |
0 |
0 |
0 |
0.000 |
7 |
|
A |
22 |
9 |
15111 |
x |
A |
x,y,z-1 |
1_554 |
29 |
10 |
15111 |
219.7 |
-0.4 |
0.555 |
0 |
0 |
0 |
0.000 |
Average: |
222.3 |
-0.2 |
0.584 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
B |
25 |
10 |
15210 |
x |
B |
x-1,y,z |
1_455 |
30 |
10 |
15210 |
216.0 |
1.9 |
0.698 |
3 |
0 |
0 |
0.000 |
8 |
9 |
|
A |
25 |
13 |
15111 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
22 |
11 |
15210 |
187.0 |
0.1 |
0.640 |
2 |
0 |
0 |
0.000 |
9 |
10 |
|
[MES]A:600 |
11 |
1 |
333 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
15111 |
157.8 |
4.5 |
0.290 |
0 |
0 |
0 |
0.000 |
11 |
|
[MES]B:600 |
11 |
1 |
336 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
15210 |
157.3 |
4.5 |
0.280 |
0 |
0 |
0 |
0.000 |
Average: |
157.6 |
4.5 |
0.285 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
[MES]A:601 |
11 |
1 |
338 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
15111 |
152.4 |
5.1 |
0.191 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
[MES]B:600 |
11 |
1 |
336 |
◊ |
B |
x,y,z-1 |
1_554 |
13 |
5 |
15210 |
102.4 |
3.0 |
0.070 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
A |
14 |
6 |
15111 |
◊ |
[MES]A:600 |
x,y,z-1 |
1_554 |
11 |
1 |
333 |
99.2 |
2.2 |
0.069 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[SO4]B:800 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
15210 |
97.0 |
-15.1 |
0.724 |
5 |
0 |
0 |
0.159 |
14 |
16 |
|
[SO4]A:800 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
15111 |
94.9 |
-14.2 |
0.719 |
5 |
0 |
0 |
0.151 |
15 |
17 |
|
[SO4]A:801 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
15111 |
94.2 |
-13.8 |
0.732 |
6 |
0 |
0 |
0.152 |
16 |
18 |
|
[SO4]B:801 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
15111 |
61.4 |
-8.3 |
0.770 |
2 |
0 |
0 |
0.084 |
17 |
19 |
|
[MES]A:601 |
5 |
1 |
338 |
f |
A |
x-1,y,z |
1_455 |
5 |
3 |
15111 |
61.2 |
2.4 |
0.389 |
0 |
0 |
0 |
0.000 |
18 |
20 |
|
[SO4]A:802 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15111 |
58.1 |
-7.5 |
0.659 |
1 |
0 |
0 |
0.073 |
19 |
21 |
|
A |
9 |
3 |
15111 |
◊ |
[SO4]A:801 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
57.3 |
-6.7 |
0.850 |
2 |
0 |
0 |
0.000 |
20 |
22 |
|
[CL]A:700 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
15111 |
56.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.140 |
23 |
|
[CL]B:700 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
15210 |
56.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.140 |
Average: |
56.7 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.140 |
21 |
24 |
|
[SO4]A:803 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
15111 |
54.8 |
-5.7 |
0.942 |
2 |
0 |
0 |
0.061 |
22 |
25 |
|
[SO4]A:802 |
4 |
1 |
185 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
6 |
2 |
15210 |
46.5 |
-5.4 |
0.835 |
1 |
0 |
0 |
0.000 |
23 |
26 |
|
[SO4]B:801 |
4 |
1 |
185 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
15210 |
45.4 |
-4.6 |
0.962 |
3 |
0 |
0 |
0.000 |
24 |
27 |
|
[CA]B:500 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
15210 |
42.7 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.119 |
25 |
28 |
|
[SO4]A:803 |
4 |
1 |
186 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
2 |
15210 |
40.3 |
-4.5 |
0.903 |
1 |
0 |
0 |
0.000 |
26 |
29 |
|
[CL]B:700 |
1 |
1 |
125 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
15210 |
27.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
A |
2 |
1 |
15111 |
◊ |
[CL]A:700 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
27.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
27.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[CL]B:700 |
1 |
1 |
125 |
f |
[MES]B:600 |
x,y,z |
1_555 |
5 |
1 |
336 |
21.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.026 |
32 |
|
[CL]A:700 |
1 |
1 |
125 |
f |
[MES]A:600 |
x,y,z |
1_555 |
5 |
1 |
333 |
19.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
20.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.026 |
28 |
33 |
|
[SO4]A:803 |
3 |
1 |
186 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
15210 |
15.1 |
-1.7 |
0.842 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[SO4]A:802 |
3 |
1 |
185 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
15111 |
12.0 |
-1.4 |
0.798 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
B |
1 |
1 |
15210 |
◊ |
[SO4]B:800 |
x-1,y,z |
1_455 |
1 |
1 |
185 |
4.8 |
-0.5 |
0.804 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
[SO4]A:800 |
1 |
1 |
187 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
15210 |
0.7 |
-0.1 |
0.817 |
0 |
0 |
0 |
0.000 |
|