## |
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 |
515 |
127 |
17374 |
◊ |
A |
x,y,z |
1_555 |
508 |
125 |
17739 |
5231.6 |
-86.4 |
0.000 |
43 |
22 |
0 |
0.339 |
2 |
2 |
|
[NAP]B:401 |
43 |
1 |
889 |
f |
B |
x,y,z |
1_555 |
82 |
28 |
17374 |
562.8 |
-3.4 |
0.627 |
9 |
0 |
0 |
0.023 |
3 |
3 |
|
A |
37 |
10 |
17739 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
47 |
13 |
17374 |
381.1 |
-4.7 |
0.357 |
3 |
1 |
0 |
0.000 |
4 |
|
A |
46 |
13 |
17739 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
38 |
11 |
17374 |
355.0 |
-5.4 |
0.275 |
2 |
0 |
0 |
0.000 |
Average: |
368.0 |
-5.0 |
0.316 |
3 |
1 |
0 |
0.000 |
4 |
5 |
|
A |
34 |
16 |
17739 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
34 |
13 |
17374 |
351.9 |
1.2 |
0.803 |
2 |
4 |
0 |
0.000 |
5 |
6 |
|
[GOL]A:402 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
17739 |
137.6 |
-0.0 |
0.630 |
6 |
0 |
0 |
0.008 |
6 |
7 |
|
[GOL]B:404 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
17374 |
120.2 |
-0.0 |
0.578 |
3 |
0 |
0 |
0.004 |
7 |
8 |
|
[GOL]B:408 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
17374 |
117.2 |
0.2 |
0.606 |
5 |
0 |
0 |
0.006 |
8 |
9 |
|
[SO4]A:406 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17739 |
100.0 |
-13.8 |
0.844 |
8 |
0 |
0 |
0.054 |
9 |
10 |
|
[SO4]A:407 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
17739 |
99.3 |
-14.9 |
0.781 |
3 |
0 |
0 |
0.051 |
10 |
11 |
|
[GOL]B:407 |
6 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
17374 |
97.4 |
-1.5 |
0.329 |
0 |
0 |
0 |
0.009 |
12 |
|
[GOL]B:406 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
17739 |
96.3 |
-1.5 |
0.350 |
0 |
0 |
0 |
0.009 |
Average: |
96.8 |
-1.5 |
0.339 |
0 |
0 |
0 |
0.009 |
11 |
13 |
|
[NAP]B:401 |
14 |
1 |
889 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
17739 |
97.2 |
-1.6 |
0.513 |
1 |
0 |
0 |
0.006 |
12 |
14 |
|
[SO4]A:405 |
5 |
1 |
185 |
f |
B |
x-1/2,-y+1/2,-z |
4_455 |
16 |
7 |
17374 |
95.1 |
-13.4 |
0.878 |
3 |
0 |
0 |
0.046 |
13 |
15 |
|
[GOL]A:401 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
17739 |
91.2 |
-1.2 |
0.395 |
1 |
0 |
0 |
0.010 |
16 |
|
[GOL]B:405 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
17374 |
90.5 |
-1.2 |
0.409 |
1 |
0 |
0 |
0.010 |
Average: |
90.9 |
-1.2 |
0.402 |
1 |
0 |
0 |
0.010 |
14 |
17 |
|
[GOL]A:403 |
5 |
1 |
214 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
17739 |
90.6 |
-0.4 |
0.536 |
1 |
0 |
0 |
0.003 |
15 |
18 |
|
[GOL]B:407 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
17739 |
87.0 |
-0.4 |
0.544 |
2 |
0 |
0 |
0.009 |
19 |
|
[GOL]B:406 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
17374 |
86.1 |
-0.2 |
0.574 |
3 |
0 |
0 |
0.009 |
Average: |
86.5 |
-0.3 |
0.559 |
3 |
0 |
0 |
0.009 |
16 |
20 |
|
[SO4]B:411 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
17374 |
84.5 |
-13.6 |
0.633 |
4 |
0 |
0 |
0.048 |
17 |
21 |
|
[SO4]B:410 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
17374 |
83.2 |
-8.1 |
0.984 |
3 |
0 |
0 |
0.029 |
18 |
22 |
|
[SO4]B:409 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
17374 |
72.9 |
-8.4 |
0.951 |
2 |
0 |
0 |
0.029 |
19 |
23 |
|
[SO4]B:412 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
17739 |
71.2 |
-8.2 |
0.702 |
0 |
0 |
0 |
0.026 |
20 |
24 |
|
[SO4]A:409 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
17739 |
64.0 |
-8.8 |
0.596 |
1 |
0 |
0 |
0.029 |
21 |
25 |
|
[SO4]A:404 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
17739 |
62.5 |
-7.1 |
0.970 |
4 |
0 |
0 |
0.028 |
22 |
26 |
|
[SO4]A:408 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
17374 |
62.3 |
-8.5 |
0.584 |
1 |
0 |
0 |
0.028 |
23 |
27 |
|
[SO4]A:408 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
17739 |
60.3 |
-7.7 |
0.793 |
2 |
0 |
0 |
0.027 |
24 |
28 |
|
[SO4]B:412 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
17374 |
60.1 |
-7.7 |
0.683 |
1 |
0 |
0 |
0.025 |
25 |
29 |
|
[SO4]A:409 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
17374 |
57.1 |
-7.2 |
0.798 |
2 |
0 |
0 |
0.025 |
26 |
30 |
|
[GOL]B:405 |
4 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
17739 |
55.3 |
0.1 |
0.668 |
1 |
0 |
0 |
0.002 |
31 |
|
[GOL]A:401 |
4 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
17374 |
53.7 |
0.2 |
0.666 |
1 |
0 |
0 |
0.002 |
Average: |
54.5 |
0.2 |
0.667 |
1 |
0 |
0 |
0.002 |
27 |
32 |
|
[SO4]A:405 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
17739 |
54.7 |
-6.9 |
0.837 |
0 |
0 |
0 |
0.004 |
28 |
33 |
|
[SO4]A:407 |
4 |
1 |
185 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
8 |
5 |
17374 |
48.6 |
-5.3 |
0.868 |
0 |
0 |
0 |
0.003 |
29 |
34 |
|
A |
7 |
2 |
17739 |
◊ |
[GOL]B:404 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
221 |
44.1 |
0.1 |
0.598 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
17374 |
37.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.015 |
31 |
36 |
|
[SO4]B:409 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
17739 |
34.2 |
-3.7 |
0.909 |
1 |
0 |
0 |
0.013 |
32 |
37 |
|
[GOL]A:403 |
3 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
17374 |
33.6 |
-0.9 |
0.294 |
0 |
0 |
0 |
0.003 |
33 |
38 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
17374 |
33.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.013 |
34 |
39 |
|
[SO4]A:404 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
17374 |
32.1 |
-3.2 |
0.923 |
1 |
0 |
0 |
0.012 |
35 |
40 |
|
[SO4]B:411 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
17739 |
27.1 |
-3.5 |
0.811 |
1 |
0 |
0 |
0.012 |
36 |
41 |
|
[MG]B:402 |
1 |
1 |
98 |
◊ |
[SO4]B:412 |
x,y,z |
1_555 |
3 |
1 |
185 |
21.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.014 |
37 |
42 |
|
[MG]B:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
17739 |
20.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.005 |
38 |
43 |
|
[NAP]B:401 |
5 |
1 |
889 |
◊ |
[SO4]B:412 |
x,y,z |
1_555 |
1 |
1 |
185 |
19.6 |
-2.4 |
0.615 |
0 |
0 |
0 |
0.008 |
39 |
44 |
|
[MG]B:403 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
17739 |
17.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.006 |
40 |
45 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
[NAP]B:401 |
x,y,z |
1_555 |
6 |
1 |
889 |
15.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.006 |
41 |
46 |
|
[MG]B:403 |
1 |
1 |
98 |
◊ |
[SO4]B:412 |
x,y,z |
1_555 |
4 |
1 |
185 |
13.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.008 |
42 |
47 |
|
B |
2 |
1 |
17374 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
17739 |
10.9 |
0.1 |
0.649 |
0 |
0 |
0 |
0.000 |
43 |
48 |
|
[GOL]B:406 |
1 |
1 |
218 |
f |
[GOL]B:405 |
x,y,z |
1_555 |
3 |
1 |
218 |
10.6 |
0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
49 |
|
[GOL]B:407 |
1 |
1 |
220 |
f |
[GOL]A:401 |
x,y,z |
1_555 |
3 |
1 |
218 |
9.4 |
0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
Average: |
10.0 |
0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
44 |
50 |
|
[SO4]A:409 |
2 |
1 |
184 |
◊ |
[SO4]A:408 |
x,y,z |
1_555 |
2 |
1 |
186 |
9.8 |
-2.4 |
0.960 |
0 |
0 |
0 |
0.007 |
45 |
51 |
|
[SO4]B:410 |
1 |
1 |
185 |
f |
[SO4]B:409 |
x,y,z |
1_555 |
3 |
1 |
186 |
9.7 |
-2.3 |
0.891 |
0 |
0 |
0 |
0.007 |
46 |
52 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
[MG]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.006 |
47 |
53 |
|
[NAP]B:401 |
2 |
1 |
889 |
f |
[SO4]B:410 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.3 |
-0.5 |
0.756 |
0 |
0 |
0 |
0.001 |
48 |
54 |
|
[NAP]B:401 |
1 |
1 |
889 |
f |
[SO4]B:411 |
x,y,z |
1_555 |
1 |
1 |
184 |
0.9 |
-0.1 |
0.744 |
0 |
0 |
0 |
0.000 |
|