| ## |
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 |
55 |
17 |
12391 |
◊ |
A |
x,y,z |
1_555 |
52 |
17 |
12428 |
524.7 |
-0.5 |
0.712 |
9 |
1 |
0 |
0.000 |
| 2 |
2 |
|
A |
53 |
19 |
12428 |
◊ |
C |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
56 |
17 |
12466 |
523.2 |
-6.8 |
0.184 |
1 |
0 |
0 |
0.063 |
3 |
|
C |
50 |
18 |
12466 |
◊ |
B |
x,y,z |
1_555 |
51 |
16 |
12391 |
494.4 |
-5.4 |
0.246 |
1 |
0 |
0 |
0.063 |
4 |
|
A |
52 |
16 |
12428 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
49 |
19 |
12391 |
473.4 |
-5.4 |
0.256 |
0 |
0 |
0 |
0.063 |
| Average: |
497.0 |
-5.9 |
0.229 |
1 |
0 |
0 |
0.063 |
| 3 |
5 |
|
[UDH]B:401 |
32 |
1 |
657 |
f |
B |
x,y,z |
1_555 |
72 |
21 |
12391 |
463.6 |
-9.8 |
0.573 |
11 |
0 |
0 |
0.050 |
| 4 |
6 |
|
[UDH]C:403 |
32 |
1 |
671 |
f |
C |
x,y,z |
1_555 |
64 |
19 |
12466 |
444.3 |
-9.9 |
0.559 |
9 |
0 |
0 |
0.098 |
7 |
|
[UDH]A:399 |
32 |
1 |
670 |
f |
A |
x,y,z |
1_555 |
64 |
19 |
12428 |
441.1 |
-10.7 |
0.505 |
10 |
0 |
0 |
0.098 |
| Average: |
442.7 |
-10.3 |
0.532 |
10 |
0 |
0 |
0.098 |
| 5 |
8 |
|
A |
37 |
14 |
12428 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
8_456 |
41 |
14 |
12391 |
396.2 |
-1.9 |
0.538 |
5 |
0 |
0 |
0.002 |
9 |
|
C |
35 |
12 |
12466 |
◊ |
C |
-x+1,y,-z+3/2 |
3_656 |
35 |
12 |
12466 |
392.3 |
-1.8 |
0.533 |
8 |
0 |
0 |
0.002 |
| Average: |
394.2 |
-1.8 |
0.536 |
7 |
0 |
0 |
0.002 |
| 6 |
10 |
|
C |
42 |
9 |
12466 |
◊ |
C |
x,-y,-z+1 |
4_556 |
42 |
9 |
12466 |
326.4 |
-2.8 |
0.459 |
4 |
0 |
0 |
0.000 |
| 7 |
11 |
|
[NAG]C:410 |
14 |
1 |
366 |
f |
C |
x,y,z |
1_555 |
34 |
15 |
12466 |
218.5 |
4.3 |
0.467 |
3 |
0 |
0 |
0.000 |
12 |
|
[NAG]A:405 |
14 |
1 |
366 |
f |
A |
x,y,z |
1_555 |
32 |
14 |
12428 |
216.7 |
4.5 |
0.466 |
3 |
0 |
0 |
0.000 |
13 |
|
[NAG]B:407 |
14 |
1 |
366 |
f |
B |
x,y,z |
1_555 |
33 |
14 |
12391 |
208.8 |
4.0 |
0.399 |
3 |
0 |
0 |
0.000 |
| Average: |
214.7 |
4.2 |
0.444 |
3 |
0 |
0 |
0.000 |
| 8 |
14 |
|
[GOL]B:418 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
12391 |
124.0 |
-0.6 |
0.573 |
3 |
0 |
0 |
0.006 |
| 9 |
15 |
|
[DIO]C:433 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
12466 |
123.3 |
4.6 |
0.272 |
0 |
0 |
0 |
0.000 |
| 10 |
16 |
|
[GOL]B:417 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
12391 |
122.1 |
-0.1 |
0.618 |
6 |
0 |
0 |
0.009 |
| 11 |
17 |
|
[GOL]A:415 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
12428 |
119.5 |
-0.3 |
0.626 |
4 |
0 |
0 |
0.022 |
18 |
|
[GOL]B:412 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
25 |
11 |
12391 |
117.5 |
-0.1 |
0.572 |
4 |
0 |
0 |
0.022 |
19 |
|
[GOL]C:416 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
23 |
9 |
12466 |
117.0 |
-0.3 |
0.616 |
5 |
0 |
0 |
0.022 |
| Average: |
118.0 |
-0.2 |
0.605 |
4 |
0 |
0 |
0.022 |
| 12 |
20 |
|
[SO4]A:420 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
12428 |
108.8 |
-15.8 |
0.814 |
6 |
0 |
0 |
0.063 |
| 13 |
21 |
|
[SO4]C:426 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
12466 |
107.4 |
-14.8 |
0.843 |
5 |
0 |
0 |
0.058 |
| 14 |
22 |
|
[SO4]C:423 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
12466 |
107.4 |
-16.0 |
0.869 |
3 |
0 |
0 |
0.059 |
| 15 |
23 |
|
[SO4]B:425 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
12391 |
107.4 |
-14.7 |
0.832 |
5 |
0 |
0 |
0.057 |
| 16 |
24 |
|
[SO4]A:419 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
12428 |
105.3 |
-15.7 |
0.894 |
5 |
0 |
0 |
0.061 |
| 17 |
25 |
|
[MAN]A:406 |
10 |
1 |
305 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
12428 |
102.0 |
1.0 |
0.244 |
0 |
0 |
0 |
0.000 |
26 |
|
[MAN]B:408 |
9 |
1 |
297 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
12391 |
100.8 |
1.3 |
0.261 |
0 |
0 |
0 |
0.000 |
| Average: |
101.4 |
1.2 |
0.252 |
0 |
0 |
0 |
0.000 |
| 18 |
27 |
|
[SO4]B:424 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
12391 |
101.2 |
-13.6 |
0.907 |
5 |
0 |
0 |
0.053 |
| 19 |
28 |
|
[MAN]C:411 |
10 |
1 |
304 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
12466 |
94.5 |
1.3 |
0.272 |
0 |
0 |
0 |
0.000 |
| 20 |
29 |
|
[GOL]B:413 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
12391 |
89.8 |
-0.7 |
0.495 |
1 |
0 |
0 |
0.004 |
| 21 |
30 |
|
[GOL]B:414 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
12391 |
89.7 |
0.7 |
0.699 |
4 |
0 |
0 |
0.004 |
| 22 |
31 |
|
A |
14 |
8 |
12428 |
◊ |
[GOL]B:413 |
x-1/2,-y+1/2,-z+1 |
8_456 |
6 |
1 |
219 |
87.6 |
-0.7 |
0.480 |
1 |
0 |
0 |
0.000 |
| 23 |
32 |
|
[SO4]C:431 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
12466 |
82.9 |
-11.1 |
0.805 |
2 |
0 |
0 |
0.041 |
| 24 |
33 |
|
[SO4]B:430 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
12391 |
80.3 |
-12.6 |
0.716 |
3 |
0 |
0 |
0.047 |
| 25 |
34 |
|
[SO4]B:432 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
12391 |
78.6 |
-11.1 |
0.784 |
3 |
0 |
0 |
0.042 |
| 26 |
35 |
|
[GOL]B:414 |
4 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
12428 |
72.6 |
-0.2 |
0.567 |
1 |
0 |
0 |
0.000 |
| 27 |
36 |
|
[SO4]C:427 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
12466 |
68.4 |
-8.9 |
0.872 |
3 |
0 |
0 |
0.035 |
| 28 |
37 |
|
[SO4]A:429 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
12428 |
68.2 |
-7.9 |
0.853 |
2 |
0 |
0 |
0.030 |
| 29 |
38 |
|
[MAN]B:408 |
7 |
1 |
297 |
cf |
[NAG]B:407 |
x,y,z |
1_555 |
8 |
1 |
366 |
63.9 |
2.4 |
0.134 |
0 |
0 |
0 |
0.000 |
39 |
|
[MAN]A:406 |
7 |
1 |
305 |
cf |
[NAG]A:405 |
x,y,z |
1_555 |
8 |
1 |
366 |
63.7 |
2.4 |
0.152 |
0 |
0 |
0 |
0.000 |
| Average: |
63.8 |
2.4 |
0.143 |
0 |
0 |
0 |
0.000 |
| 30 |
40 |
|
[SO4]B:428 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
12391 |
63.4 |
-8.2 |
0.845 |
3 |
0 |
0 |
0.032 |
| 31 |
41 |
|
[SO4]B:422 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
12391 |
63.1 |
-8.0 |
0.843 |
2 |
0 |
0 |
0.030 |
| 32 |
42 |
|
[MAN]C:411 |
7 |
1 |
304 |
cf |
[NAG]C:410 |
x,y,z |
1_555 |
9 |
1 |
366 |
62.8 |
2.0 |
0.134 |
0 |
0 |
0 |
0.000 |
| 33 |
43 |
|
[MAN]B:409 |
6 |
1 |
307 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
12391 |
62.5 |
1.0 |
0.334 |
0 |
0 |
0 |
0.000 |
| 34 |
44 |
|
[SO4]A:421 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
12428 |
60.9 |
-7.7 |
0.865 |
2 |
0 |
0 |
0.029 |
| 35 |
45 |
|
[MAN]B:409 |
5 |
1 |
307 |
cf |
[MAN]B:408 |
x,y,z |
1_555 |
6 |
1 |
297 |
60.0 |
2.4 |
0.264 |
0 |
0 |
0 |
0.000 |
| 36 |
46 |
|
[MN]C:404 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
12466 |
50.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.046 |
47 |
|
[MN]A:400 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
12428 |
49.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.046 |
48 |
|
[MN]B:402 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
12391 |
49.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.046 |
| Average: |
49.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.046 |
| 37 |
49 |
|
[SO4]B:424 |
3 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
12466 |
48.4 |
-5.6 |
0.868 |
1 |
0 |
0 |
0.020 |
| 38 |
50 |
|
[UDH]A:399 |
6 |
1 |
670 |
f |
[MN]A:400 |
x,y,z |
1_555 |
1 |
1 |
123 |
43.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.043 |
51 |
|
[UDH]C:403 |
7 |
1 |
671 |
f |
[MN]C:404 |
x,y,z |
1_555 |
1 |
1 |
123 |
43.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.043 |
52 |
|
[UDH]B:401 |
6 |
1 |
657 |
f |
[MN]B:402 |
x,y,z |
1_555 |
1 |
1 |
123 |
43.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.043 |
| Average: |
43.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.043 |
| 39 |
53 |
|
B |
3 |
1 |
12391 |
x |
B |
x-1/2,-y+1/2,-z+1 |
8_456 |
5 |
3 |
12391 |
39.4 |
1.2 |
0.894 |
1 |
2 |
0 |
0.000 |
| 40 |
54 |
|
[GOL]C:416 |
4 |
1 |
217 |
f |
[UDH]C:403 |
x,y,z |
1_555 |
6 |
1 |
671 |
39.0 |
-0.3 |
0.704 |
2 |
0 |
0 |
0.008 |
55 |
|
[GOL]A:415 |
5 |
1 |
218 |
f |
[UDH]A:399 |
x,y,z |
1_555 |
5 |
1 |
670 |
38.2 |
-0.2 |
0.668 |
2 |
0 |
0 |
0.008 |
| Average: |
38.6 |
-0.3 |
0.686 |
2 |
0 |
0 |
0.008 |
| 41 |
56 |
|
A |
7 |
3 |
12428 |
◊ |
[SO4]C:426 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
4 |
1 |
185 |
38.6 |
-4.1 |
0.842 |
0 |
0 |
0 |
0.014 |
| 42 |
57 |
|
[GOL]B:412 |
5 |
1 |
218 |
f |
[UDH]B:401 |
x,y,z |
1_555 |
4 |
1 |
657 |
38.6 |
-0.3 |
0.646 |
2 |
0 |
0 |
0.004 |
| 43 |
58 |
|
[GOL]C:416 |
3 |
1 |
217 |
f |
[NAG]C:410 |
x,y,z |
1_555 |
4 |
1 |
366 |
33.6 |
-0.4 |
0.238 |
1 |
0 |
0 |
0.003 |
| 44 |
59 |
|
[GOL]A:415 |
3 |
1 |
218 |
f |
[NAG]A:405 |
x,y,z |
1_555 |
4 |
1 |
366 |
33.0 |
-0.4 |
0.194 |
0 |
0 |
0 |
0.004 |
60 |
|
[GOL]B:412 |
4 |
1 |
218 |
f |
[NAG]B:407 |
x,y,z |
1_555 |
5 |
1 |
366 |
32.9 |
-0.3 |
0.173 |
1 |
0 |
0 |
0.004 |
| Average: |
32.9 |
-0.3 |
0.183 |
1 |
0 |
0 |
0.004 |
| 45 |
61 |
|
[UDH]C:403 |
4 |
1 |
671 |
f |
[SO4]C:431 |
x,y,z |
1_555 |
2 |
1 |
185 |
30.3 |
-4.1 |
0.844 |
1 |
0 |
0 |
0.015 |
| 46 |
62 |
|
[SO4]A:420 |
3 |
1 |
186 |
◊ |
C |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
2 |
2 |
12466 |
28.4 |
-3.3 |
0.874 |
1 |
0 |
0 |
0.013 |
| 47 |
63 |
|
[SO4]A:419 |
3 |
1 |
184 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
2 |
2 |
12391 |
20.6 |
-2.7 |
0.656 |
0 |
0 |
0 |
0.009 |
| 48 |
64 |
|
A |
4 |
2 |
12428 |
◊ |
[SO4]B:425 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
2 |
1 |
184 |
17.7 |
-1.9 |
0.883 |
0 |
0 |
0 |
0.007 |
| 49 |
65 |
|
[MAN]B:409 |
2 |
1 |
307 |
f |
[NAG]B:407 |
x,y,z |
1_555 |
1 |
1 |
366 |
14.9 |
0.7 |
0.467 |
0 |
0 |
0 |
0.000 |
| 50 |
66 |
|
[SO4]C:423 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
12391 |
13.5 |
-1.5 |
0.778 |
0 |
0 |
0 |
0.005 |
| 51 |
67 |
|
[SO4]B:430 |
2 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12428 |
9.8 |
-1.3 |
0.663 |
0 |
0 |
0 |
0.000 |
| 52 |
68 |
|
[SO4]A:420 |
1 |
1 |
186 |
◊ |
[SO4]C:426 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
185 |
7.2 |
-1.7 |
0.800 |
0 |
0 |
0 |
0.006 |
| 53 |
69 |
|
[UDH]A:399 |
1 |
1 |
670 |
f |
[NAG]A:405 |
x,y,z |
1_555 |
1 |
1 |
366 |
6.3 |
-0.3 |
0.250 |
0 |
0 |
0 |
0.002 |
70 |
|
[UDH]C:403 |
1 |
1 |
671 |
f |
[NAG]C:410 |
x,y,z |
1_555 |
1 |
1 |
366 |
5.3 |
-0.2 |
0.259 |
0 |
0 |
0 |
0.002 |
| Average: |
5.8 |
-0.3 |
0.254 |
0 |
0 |
0 |
0.002 |
| 54 |
71 |
|
[UDH]B:401 |
1 |
1 |
657 |
f |
[NAG]B:407 |
x,y,z |
1_555 |
1 |
1 |
366 |
6.0 |
-0.3 |
0.250 |
0 |
0 |
0 |
0.000 |
| 55 |
72 |
|
[SO4]C:423 |
2 |
1 |
184 |
◊ |
[SO4]B:424 |
x,y,z |
1_555 |
1 |
1 |
183 |
5.2 |
-1.2 |
0.876 |
0 |
0 |
0 |
0.004 |
|