| ## |
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 |
48 |
8 |
4722 |
◊ |
A |
x,y,z |
1_555 |
49 |
8 |
4704 |
378.5 |
-1.2 |
0.952 |
18 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
29 |
2 |
4722 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
31 |
2 |
4704 |
198.7 |
3.7 |
0.972 |
0 |
0 |
0 |
0.000 |
| 3 |
3 |
|
B |
17 |
5 |
4722 |
◊ |
A |
x-1,-y+1,-z+1 |
4_466 |
16 |
4 |
4704 |
130.3 |
-5.5 |
0.511 |
0 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
14 |
4 |
4722 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
15 |
4 |
4704 |
110.7 |
-3.4 |
0.610 |
0 |
0 |
0 |
0.000 |
| 5 |
5 |
|
B |
13 |
2 |
4722 |
◊ |
B |
-x+1,y,-z+3/2 |
3_656 |
13 |
2 |
4722 |
105.5 |
1.2 |
0.870 |
2 |
0 |
0 |
0.000 |
| 6 |
6 |
|
B |
13 |
2 |
4722 |
◊ |
A |
-x+1,y,-z+3/2 |
3_656 |
11 |
1 |
4704 |
95.5 |
2.2 |
0.891 |
2 |
0 |
0 |
0.000 |
| 7 |
7 |
|
A |
15 |
1 |
4704 |
◊ |
A |
-x+2,y,-z+3/2 |
3_756 |
15 |
1 |
4704 |
92.4 |
3.2 |
0.946 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
A |
13 |
3 |
4704 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
13 |
3 |
4704 |
79.4 |
-0.7 |
0.769 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
B |
9 |
2 |
4722 |
◊ |
B |
x,-y+1,-z+1 |
4_566 |
9 |
2 |
4722 |
69.6 |
-2.4 |
0.548 |
0 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[SO4]B:107 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
2 |
4722 |
64.4 |
-8.6 |
0.880 |
1 |
0 |
0 |
0.225 |
| 11 |
11 |
|
[CL]A:102 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
4704 |
55.6 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.025 |
| 12 |
12 |
|
[SO4]B:104 |
4 |
1 |
186 |
f |
[SO4]B:104 |
-x+1,y,-z+3/2 |
3_656 |
4 |
1 |
186 |
53.0 |
-12.4 |
0.973 |
0 |
0 |
0 |
0.154 |
| 13 |
13 |
|
[SO4]B:104 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
4722 |
51.0 |
-6.5 |
0.791 |
0 |
0 |
0 |
0.161 |
| 14 |
14 |
|
[NA]A:111 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
4704 |
50.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.161 |
15 |
|
[NA]B:106 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
4722 |
45.6 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.161 |
| Average: |
47.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.161 |
| 15 |
16 |
|
[SO4]B:109 |
3 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
4722 |
46.4 |
-4.9 |
0.910 |
1 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[SO4]A:108 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
4704 |
46.4 |
-4.8 |
0.918 |
2 |
0 |
0 |
0.020 |
| 17 |
18 |
|
[SO4]B:107 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
4704 |
45.6 |
-6.7 |
0.729 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[NA]A:103 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
4704 |
44.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.018 |
| 19 |
20 |
|
[SO4]B:107 |
4 |
1 |
186 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
2 |
4704 |
41.5 |
-5.2 |
0.830 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[NA]B:105 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
4722 |
38.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.123 |
| 21 |
22 |
|
B |
7 |
2 |
4722 |
◊ |
[NA]A:111 |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
125 |
36.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
|
[NA]B:106 |
1 |
1 |
125 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
7 |
2 |
4704 |
27.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
32.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[SO4]B:104 |
4 |
1 |
186 |
◊ |
B |
-x+1,y,-z+3/2 |
3_656 |
5 |
2 |
4722 |
35.9 |
-4.5 |
0.851 |
1 |
0 |
0 |
0.122 |
| 23 |
25 |
|
B |
6 |
3 |
4722 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
3 |
4704 |
34.1 |
-2.2 |
0.362 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[NA]A:103 |
1 |
1 |
125 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
5 |
2 |
4704 |
33.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[NA]B:105 |
1 |
1 |
125 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
8 |
2 |
4704 |
32.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
28 |
|
[NA]A:103 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
4722 |
31.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 27 |
29 |
|
B |
4 |
1 |
4722 |
x |
B |
x-1/2,-y+1/2,-z+1 |
8_456 |
6 |
2 |
4722 |
31.7 |
-1.3 |
0.536 |
0 |
0 |
0 |
0.000 |
| 28 |
30 |
|
B |
6 |
2 |
4722 |
◊ |
A |
x-3/2,y-1/2,z |
5_345 |
3 |
1 |
4704 |
30.7 |
-1.6 |
0.443 |
0 |
0 |
0 |
0.000 |
| 29 |
31 |
|
B |
4 |
1 |
4722 |
◊ |
[NA]B:106 |
x-1/2,-y+1/2,-z+1 |
8_456 |
1 |
1 |
125 |
27.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[MG]A:101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
4704 |
24.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| 31 |
33 |
|
[MG]B:110 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
4722 |
23.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.059 |
| 32 |
34 |
|
[NA]B:105 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
4704 |
23.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 33 |
35 |
|
[NA]B:105 |
1 |
1 |
125 |
◊ |
B |
x,-y+1,-z+1 |
4_566 |
4 |
2 |
4722 |
22.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[SO4]B:109 |
3 |
1 |
186 |
◊ |
[SO4]A:108 |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
186 |
16.9 |
-4.0 |
0.891 |
0 |
0 |
0 |
0.000 |
| 35 |
37 |
|
B |
2 |
2 |
4722 |
◊ |
[SO4]A:108 |
x-1/2,y-1/2,z |
5_445 |
3 |
1 |
186 |
14.2 |
-2.2 |
0.600 |
0 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[NA]B:106 |
1 |
1 |
125 |
◊ |
[NA]A:111 |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
125 |
13.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 37 |
39 |
|
[SO4]B:109 |
2 |
1 |
186 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
2 |
2 |
4704 |
12.8 |
-2.0 |
0.588 |
0 |
0 |
0 |
0.000 |
| 38 |
40 |
|
[NA]B:105 |
1 |
1 |
125 |
◊ |
[NA]B:105 |
x,-y+1,-z+1 |
4_566 |
1 |
1 |
125 |
11.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 39 |
41 |
|
[SO4]B:104 |
2 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
4704 |
9.1 |
-1.6 |
0.591 |
0 |
0 |
0 |
0.000 |
| 40 |
42 |
|
[CL]A:102 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
4722 |
5.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 41 |
43 |
|
[NA]A:111 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
8_466 |
1 |
1 |
4704 |
4.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 42 |
44 |
|
[NA]B:105 |
1 |
1 |
125 |
◊ |
[NA]A:103 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 43 |
45 |
|
[MG]B:110 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
4704 |
1.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 44 |
46 |
|
A |
1 |
1 |
4704 |
x |
A |
x-1/2,-y+3/2,-z+1 |
8_466 |
1 |
1 |
4704 |
0.2 |
-0.0 |
0.373 |
0 |
0 |
0 |
0.000 |
|