## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
175 |
53 |
10908 |
◊ |
A |
x,y,z |
1_555 |
156 |
48 |
10880 |
1489.3 |
-26.4 |
0.237 |
10 |
0 |
0 |
0.239 |
2 |
|
E |
157 |
51 |
11252 |
◊ |
D |
x,y,z |
1_555 |
159 |
50 |
10944 |
1454.0 |
-23.9 |
0.334 |
13 |
0 |
0 |
0.350 |
3 |
|
B |
84 |
32 |
10908 |
◊ |
C |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
75 |
24 |
9565 |
693.0 |
-6.0 |
0.721 |
6 |
0 |
0 |
0.058 |
4 |
|
C |
62 |
19 |
9565 |
◊ |
A |
x,y,z |
1_555 |
63 |
14 |
10880 |
587.1 |
-5.4 |
0.609 |
6 |
2 |
0 |
0.072 |
5 |
|
F |
67 |
20 |
8614 |
◊ |
D |
x,y,z |
1_555 |
62 |
13 |
10944 |
579.6 |
-5.4 |
0.670 |
4 |
3 |
0 |
0.177 |
6 |
|
C |
52 |
17 |
9565 |
◊ |
B |
x,y,z |
1_555 |
50 |
16 |
10908 |
430.3 |
-3.5 |
0.630 |
6 |
2 |
0 |
0.029 |
7 |
|
F |
44 |
16 |
8614 |
◊ |
E |
x,y,z |
1_555 |
50 |
16 |
11252 |
393.1 |
-3.8 |
0.579 |
7 |
2 |
0 |
0.062 |
8 |
|
C |
50 |
11 |
9565 |
◊ |
F |
x,y-1,z |
1_545 |
40 |
15 |
8614 |
381.2 |
-7.0 |
0.283 |
1 |
0 |
0 |
0.024 |
9 |
|
F |
33 |
13 |
8614 |
◊ |
E |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
38 |
16 |
11252 |
337.7 |
-4.9 |
0.458 |
3 |
0 |
0 |
0.068 |
10 |
|
B |
29 |
7 |
10908 |
x |
B |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
28 |
12 |
10908 |
280.4 |
-4.8 |
0.273 |
1 |
0 |
0 |
0.000 |
11 |
|
D |
31 |
10 |
10944 |
◊ |
A |
-x,y,-z-1 |
2_554 |
32 |
13 |
10880 |
279.6 |
-3.3 |
0.583 |
2 |
0 |
0 |
0.000 |
12 |
|
F |
15 |
5 |
8614 |
◊ |
C |
x,y,z |
1_555 |
24 |
10 |
9565 |
216.0 |
-3.7 |
0.301 |
0 |
0 |
0 |
0.011 |
13 |
|
C |
12 |
6 |
9565 |
◊ |
E |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
15 |
8 |
11252 |
164.3 |
-4.3 |
0.109 |
0 |
0 |
0 |
0.014 |
14 |
|
C |
20 |
3 |
9565 |
◊ |
D |
x,y-1,z |
1_545 |
17 |
7 |
10944 |
142.1 |
0.1 |
0.775 |
2 |
0 |
0 |
0.000 |
15 |
|
[GOL]B:308 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
21 |
12 |
10908 |
126.6 |
-0.9 |
0.647 |
2 |
0 |
0 |
0.014 |
16 |
|
[GOL]E:303 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
18 |
7 |
11252 |
120.5 |
-1.2 |
0.534 |
0 |
0 |
0 |
0.015 |
17 |
|
A |
15 |
5 |
10880 |
◊ |
C |
x,y-1,z |
1_545 |
10 |
2 |
9565 |
112.8 |
0.7 |
0.839 |
3 |
0 |
0 |
0.000 |
18 |
|
[SO4]E:301 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
17 |
8 |
11252 |
110.7 |
-18.8 |
0.793 |
5 |
0 |
0 |
0.248 |
19 |
|
[SO4]B:301 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
10908 |
104.2 |
-15.1 |
0.906 |
1 |
0 |
0 |
0.121 |
20 |
|
[GOL]B:306 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
10908 |
103.9 |
-0.3 |
0.599 |
5 |
0 |
0 |
0.019 |
21 |
|
[NAG]F:201 |
8 |
1 |
351 |
cf |
F |
x,y,z |
1_555 |
8 |
4 |
8614 |
102.7 |
2.7 |
0.462 |
1 |
0 |
0 |
0.000 |
22 |
|
E |
14 |
6 |
11252 |
x |
E |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
13 |
4 |
11252 |
101.3 |
-0.5 |
0.727 |
0 |
0 |
0 |
0.000 |
23 |
|
[NAG]C:201 |
9 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
10 |
4 |
9565 |
96.5 |
3.1 |
0.448 |
1 |
0 |
0 |
0.000 |
24 |
|
A |
11 |
3 |
10880 |
◊ |
B |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
10 |
5 |
10908 |
96.0 |
-0.8 |
0.549 |
1 |
0 |
0 |
0.000 |
25 |
|
[GOL]A:304 |
5 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
10880 |
95.9 |
0.2 |
0.744 |
3 |
0 |
0 |
0.010 |
26 |
|
[GOL]C:209 |
5 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
9565 |
94.8 |
-0.2 |
0.689 |
4 |
0 |
0 |
0.017 |
27 |
|
C |
14 |
4 |
9565 |
◊ |
E |
x,y-1,z |
1_545 |
12 |
5 |
11252 |
94.0 |
-0.9 |
0.576 |
2 |
0 |
0 |
0.000 |
28 |
|
[SO4]C:203 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
9565 |
89.5 |
-14.8 |
0.730 |
4 |
0 |
0 |
0.143 |
29 |
|
[GOL]B:307 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
10908 |
86.9 |
-0.4 |
0.660 |
2 |
0 |
0 |
0.010 |
30 |
|
[GOL]C:210 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
9565 |
82.9 |
-0.0 |
0.587 |
1 |
0 |
0 |
0.004 |
31 |
|
B |
12 |
4 |
10908 |
◊ |
[GOL]C:208 |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
5 |
1 |
216 |
81.4 |
-0.0 |
0.725 |
4 |
0 |
0 |
0.012 |
32 |
|
[SO4]B:302 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
10908 |
76.1 |
-8.1 |
0.960 |
1 |
0 |
0 |
0.066 |
33 |
|
[SO4]B:305 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
10908 |
74.8 |
-9.8 |
0.634 |
0 |
0 |
0 |
0.076 |
34 |
|
F |
10 |
3 |
8614 |
◊ |
D |
x,y-1,z |
1_545 |
10 |
5 |
10944 |
73.8 |
-0.8 |
0.595 |
0 |
0 |
0 |
0.000 |
35 |
|
[SO4]C:202 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
9565 |
72.0 |
-10.0 |
0.830 |
3 |
0 |
0 |
0.098 |
36 |
|
[SO4]C:205 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
9565 |
71.8 |
-9.8 |
0.778 |
3 |
0 |
0 |
0.096 |
37 |
|
[SO4]A:302 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
10880 |
70.7 |
-9.8 |
0.881 |
3 |
0 |
0 |
0.096 |
38 |
|
[SO4]D:302 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
10944 |
69.9 |
-9.9 |
0.727 |
2 |
0 |
0 |
0.249 |
39 |
|
[SO4]D:301 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
10944 |
68.5 |
-8.8 |
0.913 |
3 |
0 |
0 |
0.235 |
40 |
|
[SO4]B:303 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
10908 |
67.5 |
-8.7 |
0.952 |
1 |
0 |
0 |
0.071 |
41 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
10880 |
67.5 |
-9.4 |
0.763 |
2 |
0 |
0 |
0.088 |
42 |
|
[SO4]E:302 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
11252 |
65.7 |
-9.2 |
0.810 |
3 |
0 |
0 |
0.125 |
43 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
10880 |
65.6 |
-9.6 |
0.705 |
3 |
0 |
0 |
0.094 |
44 |
|
[SO4]C:206 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
9565 |
62.6 |
-7.5 |
0.897 |
2 |
0 |
0 |
0.072 |
45 |
|
[SO4]F:204 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
8614 |
60.6 |
-7.1 |
0.918 |
4 |
0 |
0 |
0.206 |
46 |
|
[SO4]B:304 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
10908 |
60.0 |
-7.8 |
0.794 |
1 |
0 |
0 |
0.064 |
47 |
|
[GOL]E:304 |
4 |
1 |
217 |
f |
E |
x,y,z |
1_555 |
7 |
3 |
11252 |
59.3 |
-0.8 |
0.476 |
1 |
0 |
0 |
0.014 |
48 |
|
E |
8 |
4 |
11252 |
◊ |
D |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
7 |
2 |
10944 |
58.8 |
-0.8 |
0.536 |
0 |
0 |
0 |
0.000 |
49 |
|
[SO4]C:207 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
9565 |
55.8 |
-6.9 |
0.705 |
0 |
0 |
0 |
0.059 |
50 |
|
[SO4]C:204 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
9565 |
54.7 |
-7.5 |
0.508 |
1 |
0 |
0 |
0.068 |
51 |
|
F |
6 |
4 |
8614 |
◊ |
[SO4]E:302 |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
4 |
1 |
185 |
53.0 |
-7.2 |
0.616 |
1 |
0 |
0 |
0.083 |
52 |
|
[FUC]F:202 |
4 |
1 |
277 |
cf |
[NAG]F:201 |
x,y,z |
1_555 |
4 |
1 |
351 |
52.3 |
1.6 |
0.251 |
0 |
0 |
0 |
0.000 |
53 |
|
[SO4]C:204 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
8614 |
50.2 |
-5.8 |
0.923 |
2 |
0 |
0 |
0.021 |
54 |
|
[SO4]A:301 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
9565 |
47.3 |
-6.1 |
0.717 |
1 |
0 |
0 |
0.057 |
55 |
|
[SO4]D:301 |
5 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
6 |
4 |
8614 |
45.2 |
-5.8 |
0.774 |
1 |
0 |
0 |
0.145 |
56 |
|
[GOL]B:306 |
3 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
10880 |
44.9 |
0.4 |
0.720 |
1 |
0 |
0 |
0.000 |
57 |
|
[GOL]E:304 |
5 |
1 |
217 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
8614 |
44.3 |
-0.8 |
0.443 |
0 |
0 |
0 |
0.007 |
58 |
|
[SO4]B:305 |
4 |
1 |
185 |
◊ |
C |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
6 |
3 |
9565 |
43.9 |
-5.6 |
0.742 |
2 |
0 |
0 |
0.044 |
59 |
|
A |
5 |
2 |
10880 |
◊ |
A |
-x-1,y,-z-1 |
2_454 |
5 |
2 |
10880 |
43.5 |
-0.5 |
0.531 |
0 |
0 |
0 |
0.000 |
60 |
|
[SO4]F:203 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
8614 |
42.3 |
-3.0 |
0.973 |
2 |
0 |
0 |
0.090 |
61 |
|
[GOL]B:308 |
3 |
1 |
216 |
f |
[SO4]B:303 |
x,y,z |
1_555 |
4 |
1 |
185 |
40.1 |
-4.3 |
0.716 |
1 |
0 |
0 |
0.037 |
62 |
|
[GOL]C:208 |
4 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
9565 |
39.8 |
-0.3 |
0.383 |
0 |
0 |
0 |
0.003 |
63 |
|
[SO4]C:203 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
10908 |
33.9 |
-3.7 |
0.783 |
2 |
0 |
0 |
0.021 |
64 |
|
B |
3 |
2 |
10908 |
◊ |
[SO4]C:207 |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
4 |
1 |
185 |
31.8 |
-3.2 |
0.841 |
1 |
0 |
0 |
0.025 |
65 |
|
C |
4 |
2 |
9565 |
◊ |
[FUC]F:202 |
x,y-1,z |
1_545 |
4 |
1 |
277 |
27.9 |
0.3 |
0.273 |
0 |
0 |
0 |
0.000 |
66 |
|
[GOL]A:304 |
3 |
1 |
214 |
f |
[SO4]A:302 |
x,y,z |
1_555 |
4 |
1 |
184 |
25.2 |
-2.5 |
0.857 |
1 |
0 |
0 |
0.025 |
67 |
|
C |
4 |
2 |
9565 |
◊ |
[NAG]F:201 |
x,y-1,z |
1_545 |
5 |
1 |
351 |
22.7 |
0.6 |
0.267 |
0 |
0 |
0 |
0.000 |
68 |
|
C |
4 |
1 |
9565 |
◊ |
B |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
3 |
1 |
10908 |
21.5 |
-0.7 |
0.381 |
0 |
0 |
0 |
0.000 |
69 |
|
[GOL]C:209 |
2 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10880 |
18.8 |
0.3 |
0.825 |
1 |
0 |
0 |
0.001 |
70 |
|
[GOL]C:208 |
2 |
1 |
216 |
f |
[SO4]C:207 |
x,y,z |
1_555 |
2 |
1 |
185 |
18.7 |
-2.1 |
0.849 |
1 |
0 |
0 |
0.022 |
71 |
|
[NAG]F:201 |
4 |
1 |
351 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
9565 |
17.6 |
-0.0 |
0.178 |
0 |
0 |
0 |
0.000 |
72 |
|
[SO4]F:203 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
9565 |
16.2 |
-1.6 |
0.857 |
0 |
0 |
0 |
0.005 |
73 |
|
[FUC]F:202 |
2 |
1 |
277 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
8614 |
16.1 |
0.5 |
0.459 |
0 |
0 |
0 |
0.000 |
74 |
|
C |
4 |
3 |
9565 |
◊ |
[GOL]B:307 |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
2 |
1 |
219 |
14.5 |
-0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
75 |
|
B |
3 |
3 |
10908 |
◊ |
[SO4]C:202 |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
2 |
1 |
185 |
8.1 |
-1.1 |
0.705 |
0 |
0 |
0 |
0.008 |
76 |
|
[SO4]F:204 |
2 |
1 |
184 |
◊ |
[SO4]A:302 |
x,y,z |
1_555 |
2 |
1 |
184 |
4.9 |
-1.2 |
0.960 |
0 |
0 |
0 |
0.004 |
77 |
|
[SO4]B:304 |
1 |
1 |
185 |
◊ |
[FUC]F:202 |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
2 |
1 |
277 |
4.6 |
-0.5 |
0.473 |
0 |
0 |
0 |
0.002 |
78 |
|
B |
2 |
1 |
10908 |
◊ |
[FUC]F:202 |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
1 |
1 |
277 |
3.8 |
0.1 |
0.330 |
0 |
0 |
0 |
0.000 |
79 |
|
[SO4]B:305 |
1 |
1 |
185 |
◊ |
[SO4]C:202 |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
1 |
1 |
185 |
2.3 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.004 |
80 |
|
[GOL]C:210 |
1 |
1 |
219 |
◊ |
E |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
1 |
1 |
11252 |
0.4 |
0.0 |
0.545 |
0 |
0 |
0 |
0.000 |
81 |
|
[GOL]E:303 |
1 |
1 |
218 |
f |
[SO4]E:301 |
x,y,z |
1_555 |
1 |
1 |
184 |
0.3 |
-0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
82 |
|
[SO4]A:302 |
1 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
8614 |
0.1 |
-0.0 |
0.804 |
0 |
0 |
0 |
0.000 |
|