| ## |
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 |
59 |
17 |
12587 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
52 |
18 |
12730 |
556.4 |
-0.3 |
0.711 |
9 |
1 |
0 |
0.026 |
| 2 |
2 |
|
C |
51 |
18 |
12625 |
◊ |
B |
x,y,z |
1_555 |
51 |
17 |
12587 |
486.1 |
-6.2 |
0.215 |
1 |
0 |
0 |
0.088 |
3 |
|
B |
46 |
17 |
12587 |
◊ |
A |
x,y,z |
1_555 |
48 |
17 |
12730 |
469.6 |
-6.6 |
0.158 |
0 |
0 |
0 |
0.088 |
4 |
|
C |
49 |
15 |
12625 |
◊ |
A |
x,y,z |
1_555 |
44 |
15 |
12730 |
443.4 |
-8.4 |
0.063 |
0 |
0 |
0 |
0.088 |
| Average: |
466.4 |
-7.0 |
0.145 |
0 |
0 |
0 |
0.088 |
| 3 |
5 |
|
B |
39 |
15 |
12587 |
◊ |
A |
-x+1,y,-z+3/2 |
3_656 |
35 |
12 |
12730 |
397.7 |
-1.9 |
0.532 |
6 |
0 |
0 |
0.000 |
6 |
|
C |
34 |
12 |
12625 |
◊ |
C |
-x+1,y,-z+3/2 |
3_656 |
34 |
12 |
12625 |
379.8 |
-2.4 |
0.453 |
4 |
0 |
0 |
0.000 |
| Average: |
388.8 |
-2.1 |
0.493 |
5 |
0 |
0 |
0.000 |
| 4 |
7 |
|
[UDP]A:403 |
25 |
1 |
508 |
f |
A |
x,y,z |
1_555 |
50 |
16 |
12730 |
346.6 |
-6.7 |
0.532 |
11 |
0 |
0 |
0.131 |
8 |
|
[UDP]C:403 |
25 |
1 |
500 |
f |
C |
x,y,z |
1_555 |
48 |
16 |
12625 |
340.6 |
-6.5 |
0.546 |
9 |
0 |
0 |
0.131 |
9 |
|
[UDP]B:403 |
25 |
1 |
497 |
f |
B |
x,y,z |
1_555 |
49 |
17 |
12587 |
332.5 |
-5.7 |
0.629 |
10 |
0 |
0 |
0.131 |
| Average: |
339.9 |
-6.3 |
0.569 |
10 |
0 |
0 |
0.131 |
| 5 |
10 |
|
C |
39 |
9 |
12625 |
◊ |
C |
x,-y,-z+1 |
4_556 |
39 |
9 |
12625 |
335.3 |
-3.6 |
0.355 |
4 |
0 |
0 |
0.000 |
| 6 |
11 |
|
[NAG]A:402 |
14 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
35 |
15 |
12730 |
206.4 |
3.5 |
0.426 |
3 |
0 |
0 |
0.000 |
12 |
|
[NAG]B:402 |
14 |
1 |
359 |
f |
B |
x,y,z |
1_555 |
36 |
15 |
12587 |
206.2 |
3.5 |
0.414 |
3 |
0 |
0 |
0.000 |
13 |
|
[NAG]C:402 |
14 |
1 |
361 |
f |
C |
x,y,z |
1_555 |
33 |
15 |
12625 |
205.0 |
3.9 |
0.431 |
3 |
0 |
0 |
0.000 |
| Average: |
205.9 |
3.6 |
0.424 |
3 |
0 |
0 |
0.000 |
| 7 |
14 |
|
[BBV]B:401 |
17 |
1 |
505 |
f |
B |
x,y,z |
1_555 |
24 |
7 |
12587 |
185.1 |
2.1 |
0.115 |
0 |
0 |
0 |
0.000 |
15 |
|
[BBV]A:401 |
17 |
1 |
513 |
f |
A |
x,y,z |
1_555 |
24 |
7 |
12730 |
184.1 |
2.0 |
0.120 |
0 |
0 |
0 |
0.000 |
16 |
|
[BBV]C:401 |
15 |
1 |
511 |
f |
C |
x,y,z |
1_555 |
24 |
8 |
12625 |
169.7 |
1.9 |
0.151 |
0 |
0 |
0 |
0.000 |
| Average: |
179.6 |
2.0 |
0.129 |
0 |
0 |
0 |
0.000 |
| 8 |
17 |
|
[GOL]C:407 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
24 |
11 |
12625 |
118.7 |
-0.4 |
0.589 |
4 |
0 |
0 |
0.009 |
| 9 |
18 |
|
[GOL]A:409 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
24 |
12 |
12730 |
118.4 |
-0.3 |
0.618 |
2 |
0 |
0 |
0.007 |
| 10 |
19 |
|
[GOL]B:410 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
12587 |
114.8 |
-0.3 |
0.620 |
5 |
0 |
0 |
0.014 |
| 11 |
20 |
|
[SO4]A:406 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
12730 |
111.8 |
-16.0 |
0.858 |
7 |
0 |
0 |
0.109 |
| 12 |
21 |
|
[SO4]B:405 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
12587 |
109.3 |
-15.7 |
0.881 |
4 |
0 |
0 |
0.100 |
| 13 |
22 |
|
[SO4]B:406 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
12587 |
107.4 |
-15.4 |
0.805 |
4 |
0 |
0 |
0.098 |
| 14 |
23 |
|
[SO4]C:405 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
12625 |
105.3 |
-15.2 |
0.865 |
5 |
0 |
0 |
0.071 |
| 15 |
24 |
|
[SO4]B:408 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
12587 |
102.1 |
-15.2 |
0.863 |
5 |
0 |
0 |
0.100 |
| 16 |
25 |
|
[SO4]C:406 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
12625 |
90.1 |
-13.1 |
0.870 |
5 |
0 |
0 |
0.062 |
| 17 |
26 |
|
[SO4]A:405 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
12730 |
89.3 |
-12.8 |
0.851 |
4 |
0 |
0 |
0.083 |
| 18 |
27 |
|
[SO4]A:407 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
12730 |
86.2 |
-12.6 |
0.824 |
1 |
0 |
0 |
0.075 |
| 19 |
28 |
|
[NAG]A:402 |
9 |
1 |
360 |
cf |
[BBV]A:401 |
x,y,z |
1_555 |
12 |
1 |
513 |
80.5 |
3.4 |
0.097 |
0 |
0 |
0 |
0.000 |
29 |
|
[NAG]B:402 |
8 |
1 |
359 |
cf |
[BBV]B:401 |
x,y,z |
1_555 |
12 |
1 |
505 |
80.2 |
3.3 |
0.090 |
0 |
0 |
0 |
0.000 |
30 |
|
[NAG]C:402 |
7 |
1 |
361 |
cf |
[BBV]C:401 |
x,y,z |
1_555 |
11 |
1 |
511 |
77.3 |
3.3 |
0.129 |
0 |
0 |
0 |
0.000 |
| Average: |
79.3 |
3.3 |
0.105 |
0 |
0 |
0 |
0.000 |
| 20 |
31 |
|
B |
13 |
8 |
12587 |
f |
[SO4]A:408 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
5 |
1 |
188 |
78.4 |
-10.4 |
0.891 |
3 |
0 |
0 |
0.067 |
| 21 |
32 |
|
[SO4]B:407 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
12587 |
66.6 |
-8.4 |
0.866 |
2 |
0 |
0 |
0.053 |
| 22 |
33 |
|
[SO4]B:409 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
12587 |
65.2 |
-8.7 |
0.847 |
2 |
0 |
0 |
0.055 |
| 23 |
34 |
|
[SO4]A:408 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
12730 |
61.7 |
-8.2 |
0.797 |
1 |
0 |
0 |
0.050 |
| 24 |
35 |
|
[MN]C:404 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
12625 |
50.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.056 |
36 |
|
[MN]A:404 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
12730 |
49.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.056 |
37 |
|
[MN]B:404 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
12587 |
48.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.056 |
| Average: |
49.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.056 |
| 25 |
38 |
|
B |
5 |
2 |
12587 |
x |
B |
x-1/2,-y+1/2,-z+1 |
8_456 |
7 |
3 |
12587 |
49.4 |
1.4 |
0.894 |
1 |
2 |
0 |
0.000 |
| 26 |
39 |
|
[MN]A:404 |
1 |
1 |
123 |
f |
[UDP]A:403 |
x,y,z |
1_555 |
8 |
1 |
508 |
43.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.052 |
40 |
|
[MN]B:404 |
1 |
1 |
123 |
f |
[UDP]B:403 |
x,y,z |
1_555 |
7 |
1 |
497 |
42.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.052 |
41 |
|
[MN]C:404 |
1 |
1 |
123 |
f |
[UDP]C:403 |
x,y,z |
1_555 |
7 |
1 |
500 |
42.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
42.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.052 |
| 27 |
42 |
|
[GOL]C:407 |
4 |
1 |
217 |
f |
[UDP]C:403 |
x,y,z |
1_555 |
6 |
1 |
500 |
38.0 |
0.1 |
0.721 |
2 |
0 |
0 |
0.003 |
| 28 |
43 |
|
[SO4]B:408 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
12625 |
37.4 |
-4.6 |
0.807 |
0 |
0 |
0 |
0.019 |
| 29 |
44 |
|
[GOL]B:410 |
4 |
1 |
215 |
f |
[UDP]B:403 |
x,y,z |
1_555 |
6 |
1 |
497 |
36.1 |
0.0 |
0.713 |
2 |
0 |
0 |
0.005 |
| 30 |
45 |
|
[GOL]C:407 |
5 |
1 |
217 |
f |
[NAG]C:402 |
x,y,z |
1_555 |
5 |
1 |
361 |
34.2 |
-0.2 |
0.191 |
1 |
0 |
0 |
0.002 |
| 31 |
46 |
|
[GOL]A:409 |
4 |
1 |
218 |
f |
[NAG]A:402 |
x,y,z |
1_555 |
5 |
1 |
360 |
34.1 |
-0.4 |
0.169 |
0 |
0 |
0 |
0.002 |
| 32 |
47 |
|
[SO4]A:405 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
12587 |
33.9 |
-4.0 |
0.888 |
0 |
0 |
0 |
0.016 |
| 33 |
48 |
|
[GOL]A:409 |
4 |
1 |
218 |
f |
[UDP]A:403 |
x,y,z |
1_555 |
6 |
1 |
508 |
33.8 |
-0.1 |
0.706 |
1 |
0 |
0 |
0.003 |
| 34 |
49 |
|
[GOL]B:410 |
4 |
1 |
215 |
f |
[NAG]B:402 |
x,y,z |
1_555 |
4 |
1 |
359 |
33.1 |
-0.2 |
0.234 |
0 |
0 |
0 |
0.001 |
| 35 |
50 |
|
[SO4]C:406 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
12730 |
29.9 |
-3.7 |
0.803 |
0 |
0 |
0 |
0.015 |
| 36 |
51 |
|
[BBV]C:401 |
1 |
1 |
511 |
◊ |
C |
-x+1,y,-z+3/2 |
3_656 |
2 |
1 |
12625 |
14.3 |
0.3 |
0.494 |
0 |
0 |
0 |
0.000 |
52 |
|
[BBV]B:401 |
1 |
1 |
505 |
◊ |
A |
-x+1,y,-z+3/2 |
3_656 |
2 |
1 |
12730 |
13.7 |
0.4 |
0.540 |
0 |
0 |
0 |
0.000 |
53 |
|
[BBV]A:401 |
1 |
1 |
513 |
◊ |
B |
-x+1,y,-z+3/2 |
3_656 |
2 |
1 |
12587 |
5.7 |
0.1 |
0.395 |
0 |
0 |
0 |
0.000 |
| Average: |
11.3 |
0.3 |
0.476 |
0 |
0 |
0 |
0.000 |
| 37 |
54 |
|
B |
1 |
1 |
12587 |
◊ |
[SO4]A:407 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
3 |
1 |
187 |
14.3 |
-1.2 |
0.952 |
0 |
0 |
0 |
0.007 |
| 38 |
55 |
|
[SO4]C:405 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12587 |
12.6 |
-1.4 |
0.761 |
0 |
0 |
0 |
0.006 |
| 39 |
56 |
|
[UDP]A:403 |
1 |
1 |
508 |
f |
[NAG]A:402 |
x,y,z |
1_555 |
2 |
1 |
360 |
10.8 |
-0.5 |
0.256 |
0 |
0 |
0 |
0.006 |
57 |
|
[UDP]C:403 |
1 |
1 |
500 |
f |
[NAG]C:402 |
x,y,z |
1_555 |
2 |
1 |
361 |
10.4 |
-0.5 |
0.256 |
0 |
0 |
0 |
0.006 |
58 |
|
[UDP]B:403 |
1 |
1 |
497 |
f |
[NAG]B:402 |
x,y,z |
1_555 |
1 |
1 |
359 |
9.0 |
-0.4 |
0.302 |
0 |
0 |
0 |
0.006 |
| Average: |
10.1 |
-0.5 |
0.271 |
0 |
0 |
0 |
0.006 |
| 40 |
59 |
|
[SO4]A:406 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
12625 |
7.1 |
-0.6 |
0.856 |
0 |
0 |
0 |
0.002 |
| 41 |
60 |
|
[SO4]B:405 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12730 |
5.6 |
-0.5 |
0.808 |
0 |
0 |
0 |
0.002 |
| 42 |
61 |
|
[UDP]B:403 |
1 |
1 |
497 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
12730 |
4.2 |
-0.0 |
0.582 |
0 |
0 |
0 |
0.000 |
| 43 |
62 |
|
[SO4]C:405 |
1 |
1 |
185 |
◊ |
[SO4]B:408 |
x,y,z |
1_555 |
1 |
1 |
184 |
2.7 |
-0.6 |
1.000 |
0 |
0 |
0 |
0.003 |
|