| ## |
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 |
18 |
12673 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
54 |
18 |
12761 |
552.7 |
-0.7 |
0.681 |
9 |
1 |
0 |
0.000 |
| 2 |
2 |
|
C |
50 |
19 |
12707 |
◊ |
B |
x,y,z |
1_555 |
52 |
15 |
12673 |
506.8 |
-6.5 |
0.196 |
1 |
0 |
0 |
0.087 |
3 |
|
C |
51 |
15 |
12707 |
◊ |
A |
x,y,z |
1_555 |
47 |
17 |
12761 |
496.3 |
-7.7 |
0.110 |
0 |
0 |
0 |
0.087 |
4 |
|
B |
48 |
18 |
12673 |
◊ |
A |
x,y,z |
1_555 |
52 |
16 |
12761 |
471.2 |
-6.5 |
0.188 |
0 |
0 |
0 |
0.087 |
| Average: |
491.4 |
-6.9 |
0.165 |
0 |
0 |
0 |
0.087 |
| 3 |
5 |
|
C |
39 |
13 |
12707 |
◊ |
C |
-x+1,y,-z+3/2 |
3_656 |
39 |
13 |
12707 |
396.8 |
-2.7 |
0.464 |
4 |
0 |
0 |
0.000 |
6 |
|
B |
40 |
14 |
12673 |
◊ |
A |
-x+1,y,-z+3/2 |
3_656 |
38 |
13 |
12761 |
396.7 |
-2.0 |
0.526 |
5 |
0 |
0 |
0.000 |
| Average: |
396.8 |
-2.3 |
0.495 |
5 |
0 |
0 |
0.000 |
| 4 |
7 |
|
[UDP]A:403 |
25 |
1 |
505 |
f |
A |
x,y,z |
1_555 |
52 |
17 |
12761 |
345.4 |
-6.9 |
0.526 |
11 |
0 |
0 |
0.139 |
8 |
|
[UDP]C:403 |
25 |
1 |
502 |
f |
C |
x,y,z |
1_555 |
51 |
16 |
12707 |
338.6 |
-5.9 |
0.589 |
12 |
0 |
0 |
0.139 |
9 |
|
[UDP]B:403 |
25 |
1 |
504 |
f |
B |
x,y,z |
1_555 |
48 |
17 |
12673 |
338.2 |
-6.2 |
0.552 |
10 |
0 |
0 |
0.139 |
| Average: |
340.7 |
-6.4 |
0.556 |
11 |
0 |
0 |
0.139 |
| 5 |
10 |
|
C |
41 |
9 |
12707 |
◊ |
C |
x,-y,-z+1 |
4_556 |
41 |
9 |
12707 |
343.0 |
-3.5 |
0.387 |
4 |
0 |
0 |
0.000 |
| 6 |
11 |
|
[NAG]C:402 |
14 |
1 |
364 |
f |
C |
x,y,z |
1_555 |
35 |
15 |
12707 |
223.3 |
4.2 |
0.456 |
3 |
0 |
0 |
0.000 |
12 |
|
[NAG]B:402 |
14 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
32 |
15 |
12673 |
218.0 |
4.3 |
0.414 |
3 |
0 |
0 |
0.000 |
13 |
|
[NAG]A:402 |
14 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
32 |
15 |
12761 |
215.3 |
4.3 |
0.454 |
3 |
0 |
0 |
0.000 |
| Average: |
218.9 |
4.3 |
0.441 |
3 |
0 |
0 |
0.000 |
| 7 |
14 |
|
[GOL]B:405 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
26 |
12 |
12673 |
122.0 |
0.1 |
0.648 |
5 |
0 |
0 |
0.009 |
| 8 |
15 |
|
[GOL]A:405 |
6 |
1 |
211 |
f |
A |
x,y,z |
1_555 |
26 |
12 |
12761 |
117.0 |
-0.3 |
0.621 |
3 |
0 |
0 |
0.007 |
| 9 |
16 |
|
[GOL]C:405 |
6 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
23 |
10 |
12707 |
116.2 |
0.1 |
0.632 |
4 |
0 |
0 |
0.007 |
| 10 |
17 |
|
[SO4]A:406 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
12761 |
108.7 |
-15.7 |
0.853 |
7 |
0 |
0 |
0.077 |
| 11 |
18 |
|
[SO4]B:410 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
12673 |
107.6 |
-15.6 |
0.845 |
5 |
0 |
0 |
0.073 |
| 12 |
19 |
|
[SO4]C:406 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
12707 |
106.5 |
-15.4 |
0.858 |
4 |
0 |
0 |
0.071 |
| 13 |
20 |
|
[SO4]B:407 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
12673 |
105.7 |
-15.3 |
0.806 |
4 |
0 |
0 |
0.070 |
| 14 |
21 |
|
[GAL]A:401 |
9 |
1 |
304 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
12761 |
103.4 |
0.4 |
0.279 |
0 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[SO4]B:408 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
12673 |
99.5 |
-14.5 |
0.845 |
5 |
0 |
0 |
0.069 |
| 16 |
23 |
|
[GAL]B:401 |
8 |
1 |
302 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
12673 |
94.0 |
-0.2 |
0.176 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
[SO4]A:407 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
12761 |
93.1 |
-13.8 |
0.847 |
4 |
0 |
0 |
0.064 |
| 18 |
25 |
|
[GOL]B:406 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
12673 |
90.3 |
0.6 |
0.713 |
5 |
0 |
0 |
0.007 |
| 19 |
26 |
|
[SO4]C:407 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
12707 |
88.8 |
-13.0 |
0.876 |
5 |
0 |
0 |
0.063 |
| 20 |
27 |
|
[SO4]B:409 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
12673 |
70.9 |
-9.6 |
0.856 |
2 |
0 |
0 |
0.043 |
| 21 |
28 |
|
[GAL]C:401 |
7 |
1 |
305 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
12707 |
70.5 |
0.0 |
0.239 |
0 |
0 |
0 |
0.000 |
| 22 |
29 |
|
[GOL]B:406 |
5 |
1 |
217 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
11 |
5 |
12761 |
69.6 |
-0.2 |
0.569 |
1 |
0 |
0 |
0.000 |
| 23 |
30 |
|
[SO4]B:411 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
12673 |
65.8 |
-8.6 |
0.848 |
2 |
0 |
0 |
0.039 |
| 24 |
31 |
|
[SO4]A:408 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
12761 |
61.8 |
-8.1 |
0.843 |
2 |
0 |
0 |
0.037 |
| 25 |
32 |
|
[NAG]A:402 |
7 |
1 |
359 |
cf |
[GAL]A:401 |
x,y,z |
1_555 |
6 |
1 |
304 |
61.3 |
2.6 |
0.279 |
0 |
0 |
0 |
0.000 |
| 26 |
33 |
|
[NAG]B:402 |
9 |
1 |
363 |
cf |
[GAL]B:401 |
x,y,z |
1_555 |
6 |
1 |
302 |
61.0 |
1.9 |
0.091 |
0 |
0 |
0 |
0.000 |
| 27 |
34 |
|
[NAG]C:402 |
7 |
1 |
364 |
cf |
[GAL]C:401 |
x,y,z |
1_555 |
5 |
1 |
305 |
56.2 |
2.0 |
0.231 |
0 |
0 |
0 |
0.000 |
| 28 |
35 |
|
[MN]C:404 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
12707 |
49.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.057 |
36 |
|
[MN]B:404 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
12673 |
48.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.057 |
37 |
|
[MN]A:404 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
12761 |
48.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
48.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.057 |
| 29 |
38 |
|
[MN]A:404 |
1 |
1 |
123 |
f |
[UDP]A:403 |
x,y,z |
1_555 |
5 |
1 |
505 |
43.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.052 |
39 |
|
[MN]B:404 |
1 |
1 |
123 |
f |
[UDP]B:403 |
x,y,z |
1_555 |
7 |
1 |
504 |
42.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.052 |
40 |
|
[MN]C:404 |
1 |
1 |
123 |
f |
[UDP]C:403 |
x,y,z |
1_555 |
6 |
1 |
502 |
41.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
42.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.052 |
| 30 |
41 |
|
[GOL]B:405 |
4 |
1 |
219 |
f |
[UDP]B:403 |
x,y,z |
1_555 |
6 |
1 |
504 |
41.1 |
-0.2 |
0.681 |
2 |
0 |
0 |
0.004 |
| 31 |
42 |
|
B |
5 |
2 |
12673 |
x |
B |
x-1/2,-y+1/2,-z+1 |
8_456 |
5 |
3 |
12673 |
40.6 |
1.0 |
0.848 |
1 |
2 |
0 |
0.000 |
| 32 |
43 |
|
[GOL]C:405 |
4 |
1 |
215 |
f |
[UDP]C:403 |
x,y,z |
1_555 |
6 |
1 |
502 |
39.6 |
-0.6 |
0.547 |
1 |
0 |
0 |
0.004 |
| 33 |
44 |
|
[GOL]A:405 |
2 |
1 |
211 |
f |
[UDP]A:403 |
x,y,z |
1_555 |
7 |
1 |
505 |
38.2 |
-0.4 |
0.528 |
1 |
0 |
0 |
0.004 |
| 34 |
45 |
|
[GOL]C:405 |
4 |
1 |
215 |
f |
[NAG]C:402 |
x,y,z |
1_555 |
4 |
1 |
364 |
37.8 |
-0.3 |
0.233 |
1 |
0 |
0 |
0.003 |
| 35 |
46 |
|
[SO4]B:408 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
12707 |
36.5 |
-4.8 |
0.817 |
1 |
0 |
0 |
0.022 |
| 36 |
47 |
|
[GOL]B:405 |
3 |
1 |
219 |
f |
[NAG]B:402 |
x,y,z |
1_555 |
5 |
1 |
363 |
35.1 |
-0.1 |
0.184 |
0 |
0 |
0 |
0.000 |
| 37 |
48 |
|
[SO4]C:407 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
12761 |
33.7 |
-4.0 |
0.814 |
0 |
0 |
0 |
0.016 |
| 38 |
49 |
|
[GOL]A:405 |
4 |
1 |
211 |
f |
[NAG]A:402 |
x,y,z |
1_555 |
4 |
1 |
359 |
33.4 |
-0.4 |
0.177 |
0 |
0 |
0 |
0.002 |
| 39 |
50 |
|
[SO4]A:407 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
12673 |
26.8 |
-3.5 |
0.738 |
0 |
0 |
0 |
0.014 |
| 40 |
51 |
|
[SO4]C:406 |
2 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
12673 |
20.8 |
-2.4 |
0.863 |
0 |
0 |
0 |
0.010 |
| 41 |
52 |
|
[UDP]C:403 |
1 |
1 |
502 |
f |
[NAG]C:402 |
x,y,z |
1_555 |
1 |
1 |
364 |
10.3 |
-0.4 |
0.321 |
0 |
0 |
0 |
0.004 |
53 |
|
[UDP]A:403 |
1 |
1 |
505 |
f |
[NAG]A:402 |
x,y,z |
1_555 |
1 |
1 |
359 |
7.2 |
-0.3 |
0.227 |
0 |
0 |
0 |
0.004 |
54 |
|
[UDP]B:403 |
1 |
1 |
504 |
f |
[NAG]B:402 |
x,y,z |
1_555 |
1 |
1 |
363 |
6.9 |
-0.3 |
0.227 |
0 |
0 |
0 |
0.004 |
| Average: |
8.1 |
-0.4 |
0.258 |
0 |
0 |
0 |
0.004 |
| 42 |
55 |
|
[SO4]A:406 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
12707 |
10.1 |
-0.9 |
0.842 |
0 |
0 |
0 |
0.004 |
| 43 |
56 |
|
[SO4]B:410 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12761 |
6.8 |
-0.6 |
0.815 |
0 |
0 |
0 |
0.002 |
| 44 |
57 |
|
[SO4]C:407 |
1 |
1 |
185 |
◊ |
[SO4]A:406 |
x,y,z |
1_555 |
1 |
1 |
186 |
4.1 |
-1.0 |
1.000 |
0 |
0 |
0 |
0.004 |
| 45 |
58 |
|
[UDP]B:403 |
1 |
1 |
504 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
12761 |
2.8 |
-0.0 |
0.571 |
0 |
0 |
0 |
0.000 |
|