## |
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 |
|
I |
245 |
43 |
5390 |
◊ |
B |
x,y,z |
1_555 |
350 |
90 |
11220 |
2960.8 |
-30.4 |
0.442 |
65 |
7 |
0 |
0.533 |
2 |
|
H |
250 |
43 |
5434 |
◊ |
A |
x,y,z |
1_555 |
355 |
86 |
11204 |
2943.9 |
-30.6 |
0.461 |
58 |
6 |
0 |
0.533 |
Average: |
2952.4 |
-30.5 |
0.451 |
62 |
7 |
0 |
0.533 |
2 |
3 |
|
A |
86 |
24 |
11204 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
86 |
24 |
11204 |
719.8 |
5.7 |
0.949 |
12 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
71 |
21 |
11220 |
◊ |
B |
x,-y,-z |
4_555 |
71 |
21 |
11220 |
626.3 |
1.8 |
0.851 |
10 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
58 |
19 |
11220 |
◊ |
A |
x,y,z |
1_555 |
59 |
16 |
11204 |
549.3 |
-5.2 |
0.364 |
2 |
0 |
0 |
0.000 |
6 |
|
B |
58 |
17 |
11220 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
55 |
16 |
11204 |
548.2 |
-7.5 |
0.196 |
3 |
0 |
0 |
0.000 |
Average: |
548.7 |
-6.3 |
0.280 |
3 |
0 |
0 |
0.000 |
5 |
7 |
|
[9AW]B:1204 |
23 |
1 |
508 |
f |
B |
x,y,z |
1_555 |
52 |
18 |
11220 |
345.6 |
-6.5 |
0.483 |
4 |
0 |
0 |
0.076 |
8 |
|
[9AW]A:1204 |
23 |
1 |
509 |
f |
A |
x,y,z |
1_555 |
55 |
18 |
11204 |
345.5 |
-6.6 |
0.490 |
4 |
0 |
0 |
0.076 |
Average: |
345.6 |
-6.6 |
0.486 |
4 |
0 |
0 |
0.076 |
6 |
9 |
|
I |
26 |
8 |
5390 |
◊ |
I |
x,-y,-z |
4_555 |
26 |
8 |
5390 |
293.8 |
-0.7 |
0.807 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
H |
21 |
9 |
5434 |
◊ |
H |
-x,y,-z+1/2 |
3_555 |
20 |
8 |
5434 |
160.2 |
4.0 |
0.968 |
8 |
0 |
0 |
0.000 |
8 |
11 |
|
I |
15 |
7 |
5390 |
◊ |
B |
x,-y,-z |
4_555 |
16 |
6 |
11220 |
148.9 |
-1.9 |
0.366 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
A |
11 |
4 |
11204 |
◊ |
A |
x,-y+1,-z |
4_565 |
11 |
4 |
11204 |
140.1 |
4.4 |
0.976 |
4 |
6 |
0 |
0.000 |
10 |
13 |
|
H |
13 |
6 |
5434 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
15 |
4 |
11204 |
134.0 |
-2.3 |
0.298 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
[SO4]B:1201 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
11220 |
115.4 |
-18.2 |
0.772 |
8 |
0 |
0 |
0.192 |
12 |
15 |
|
[SO4]A:1201 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
11204 |
104.5 |
-17.1 |
0.728 |
7 |
0 |
0 |
0.184 |
13 |
16 |
|
I |
6 |
3 |
5390 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
11204 |
81.2 |
-0.8 |
0.460 |
0 |
0 |
0 |
0.000 |
17 |
|
B |
8 |
5 |
11220 |
◊ |
H |
x-1/2,y-1/2,z |
5_445 |
5 |
3 |
5434 |
80.2 |
-1.2 |
0.353 |
0 |
0 |
0 |
0.000 |
Average: |
80.7 |
-1.0 |
0.407 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[GOL]H:1201 |
6 |
1 |
220 |
◊ |
H |
-x,y,-z+1/2 |
3_555 |
16 |
6 |
5434 |
79.8 |
0.1 |
0.675 |
1 |
0 |
0 |
0.000 |
15 |
19 |
|
[SO4]A:1202 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
11204 |
74.9 |
-9.0 |
0.904 |
3 |
0 |
0 |
0.094 |
16 |
20 |
|
[SO4]B:1202 |
4 |
1 |
187 |
f |
I |
x,y,z |
1_555 |
15 |
4 |
5390 |
72.3 |
-10.3 |
0.819 |
1 |
0 |
0 |
0.100 |
17 |
21 |
|
[SO4]B:1202 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
11220 |
72.0 |
-8.4 |
0.902 |
3 |
0 |
0 |
0.086 |
18 |
22 |
|
[SO4]A:1202 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
14 |
4 |
5434 |
70.6 |
-10.3 |
0.792 |
1 |
0 |
0 |
0.100 |
19 |
23 |
|
[GOL]H:1201 |
6 |
1 |
220 |
◊ |
H |
x,y,z |
1_555 |
14 |
6 |
5434 |
67.2 |
-0.2 |
0.583 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[GOL]H:1201 |
5 |
1 |
220 |
f |
[GOL]H:1201 |
-x,y,-z+1/2 |
3_555 |
5 |
1 |
220 |
65.1 |
-0.9 |
0.382 |
0 |
0 |
0 |
0.100 |
21 |
25 |
|
H |
3 |
1 |
5434 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
9 |
3 |
11220 |
63.3 |
-1.4 |
0.217 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
I |
2 |
1 |
5390 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
6 |
2 |
11204 |
56.4 |
-1.7 |
0.123 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
H |
2 |
1 |
5434 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
11220 |
49.8 |
-0.6 |
0.275 |
0 |
0 |
0 |
0.000 |
28 |
|
I |
2 |
1 |
5390 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
7 |
2 |
11204 |
35.5 |
-0.4 |
0.364 |
0 |
0 |
0 |
0.000 |
Average: |
42.7 |
-0.5 |
0.320 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
B |
8 |
3 |
11220 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
5 |
3 |
11204 |
40.6 |
0.2 |
0.695 |
0 |
2 |
0 |
0.000 |
25 |
30 |
|
[9AW]A:1204 |
2 |
1 |
509 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
5434 |
39.4 |
-0.8 |
0.513 |
0 |
0 |
0 |
0.007 |
31 |
|
[9AW]B:1204 |
2 |
1 |
508 |
◊ |
I |
x,y,z |
1_555 |
7 |
2 |
5390 |
38.1 |
-0.8 |
0.502 |
0 |
0 |
0 |
0.007 |
Average: |
38.8 |
-0.8 |
0.507 |
0 |
0 |
0 |
0.007 |
26 |
32 |
|
B |
2 |
1 |
11220 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
4 |
1 |
11204 |
29.7 |
0.7 |
0.822 |
0 |
2 |
0 |
0.000 |
27 |
33 |
|
B |
3 |
1 |
11220 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
3 |
1 |
11220 |
28.7 |
-0.9 |
0.225 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
[SO4]A:1201 |
2 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
3 |
3 |
5434 |
19.4 |
-2.2 |
0.868 |
0 |
0 |
0 |
0.020 |
29 |
35 |
|
[SO4]B:1201 |
2 |
1 |
187 |
◊ |
I |
x,y,z |
1_555 |
3 |
3 |
5390 |
14.9 |
-1.7 |
0.862 |
0 |
0 |
0 |
0.015 |
30 |
36 |
|
[SO4]A:1201 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
11220 |
8.8 |
-0.9 |
0.804 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[SO4]B:1201 |
1 |
1 |
187 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
11204 |
5.6 |
-0.6 |
0.791 |
0 |
0 |
0 |
0.000 |
|