| ## |
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 |
|
A |
80 |
23 |
10773 |
◊ |
A |
x,-y,-z+1 |
4_556 |
80 |
23 |
10773 |
817.1 |
-20.7 |
0.044 |
4 |
0 |
0 |
0.188 |
| 2 |
2 |
|
B |
60 |
17 |
11129 |
◊ |
A |
x,y,z |
1_555 |
63 |
16 |
10773 |
582.0 |
2.7 |
0.993 |
17 |
7 |
0 |
0.106 |
| 3 |
3 |
|
B |
51 |
18 |
11129 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
54 |
16 |
10773 |
499.6 |
-12.4 |
0.124 |
1 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
42 |
13 |
11129 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
44 |
14 |
10773 |
395.7 |
-7.4 |
0.458 |
3 |
0 |
0 |
0.153 |
| 5 |
5 |
|
[RET]B:261 |
19 |
1 |
551 |
cf |
B |
x,y,z |
1_555 |
65 |
20 |
11129 |
379.6 |
-1.5 |
0.643 |
0 |
0 |
0 |
0.050 |
6 |
|
[RET]A:260 |
19 |
1 |
548 |
cf |
A |
x,y,z |
1_555 |
62 |
18 |
10773 |
374.8 |
-1.3 |
0.652 |
0 |
0 |
0 |
0.050 |
| Average: |
377.2 |
-1.4 |
0.648 |
0 |
0 |
0 |
0.050 |
| 6 |
7 |
|
[BNG]B:312 |
21 |
1 |
547 |
f |
B |
x,y,z |
1_555 |
37 |
14 |
11129 |
281.8 |
2.3 |
0.218 |
1 |
0 |
0 |
0.000 |
| 7 |
8 |
|
B |
25 |
13 |
11129 |
◊ |
[BNG]A:307 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
19 |
1 |
567 |
229.9 |
0.9 |
0.169 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[BNG]A:305 |
17 |
1 |
554 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
10773 |
225.9 |
-0.1 |
0.099 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[BNG]B:310 |
15 |
1 |
563 |
f |
B |
x,y,z |
1_555 |
31 |
10 |
11129 |
200.4 |
0.8 |
0.247 |
2 |
0 |
0 |
0.001 |
| 10 |
11 |
|
[BNG]A:306 |
19 |
1 |
554 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
10773 |
198.7 |
0.9 |
0.104 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[BNG]A:304 |
16 |
1 |
554 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
10773 |
189.2 |
2.1 |
0.285 |
2 |
0 |
0 |
0.000 |
| 12 |
13 |
|
B |
26 |
6 |
11129 |
◊ |
[BNG]A:305 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
16 |
1 |
554 |
180.2 |
0.1 |
0.167 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[BNG]B:311 |
16 |
1 |
553 |
◊ |
B |
x,y,z |
1_555 |
26 |
5 |
11129 |
177.3 |
0.8 |
0.231 |
0 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[BNG]A:301 |
14 |
1 |
563 |
f |
A |
x,-y,-z+1 |
4_556 |
24 |
8 |
10773 |
169.8 |
1.0 |
0.256 |
0 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[BNG]A:302 |
14 |
1 |
562 |
f |
A |
x,y,z |
1_555 |
21 |
6 |
10773 |
166.5 |
1.3 |
0.265 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[BNG]A:309 |
17 |
1 |
562 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
10773 |
164.1 |
0.7 |
0.114 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[BNG]B:312 |
15 |
1 |
547 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
22 |
7 |
10773 |
163.9 |
3.4 |
0.438 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[BNG]B:311 |
12 |
1 |
553 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
23 |
9 |
10773 |
155.1 |
1.1 |
0.342 |
0 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[BNG]A:307 |
14 |
1 |
567 |
◊ |
[BNG]A:306 |
x,y,z |
1_555 |
13 |
1 |
554 |
122.2 |
5.3 |
0.123 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[BNG]A:308 |
10 |
1 |
566 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
10773 |
116.3 |
-0.1 |
0.163 |
0 |
0 |
0 |
0.001 |
| 21 |
22 |
|
[BNG]A:303 |
14 |
1 |
564 |
◊ |
[BNG]A:302 |
x,y,z |
1_555 |
9 |
1 |
562 |
111.0 |
3.2 |
0.098 |
1 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[BNG]A:301 |
12 |
1 |
563 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
10773 |
108.5 |
1.9 |
0.330 |
1 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[BNG]A:303 |
10 |
1 |
564 |
f |
A |
x,-y,-z+1 |
4_556 |
12 |
4 |
10773 |
98.8 |
0.0 |
0.200 |
1 |
0 |
0 |
0.007 |
| 24 |
25 |
|
[BNG]A:302 |
6 |
1 |
562 |
◊ |
A |
x,-y,-z+1 |
4_556 |
17 |
3 |
10773 |
93.9 |
-0.2 |
0.319 |
0 |
0 |
0 |
0.003 |
| 25 |
26 |
|
[BNG]A:308 |
12 |
1 |
566 |
◊ |
[BNG]A:306 |
x,y,z |
1_555 |
10 |
1 |
554 |
92.4 |
4.3 |
0.129 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[SO4]A:400 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
10773 |
87.1 |
-12.5 |
0.927 |
5 |
0 |
0 |
0.263 |
| 27 |
28 |
|
[SO4]B:401 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
11129 |
83.8 |
-12.3 |
0.911 |
3 |
0 |
0 |
0.243 |
| 28 |
29 |
|
[SO4]B:402 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
11129 |
80.1 |
-11.7 |
0.887 |
1 |
0 |
0 |
0.216 |
| 29 |
30 |
|
[BNG]A:303 |
9 |
1 |
564 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
10773 |
73.8 |
0.0 |
0.129 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[SO4]B:402 |
5 |
1 |
186 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
14 |
6 |
10773 |
65.2 |
-8.8 |
0.928 |
0 |
0 |
0 |
0.154 |
| 31 |
32 |
|
B |
5 |
3 |
11129 |
f |
[BNG]A:306 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
6 |
1 |
554 |
58.7 |
-0.7 |
0.131 |
0 |
0 |
0 |
0.012 |
| 32 |
33 |
|
[BNG]A:307 |
3 |
1 |
567 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
10773 |
52.0 |
-1.3 |
0.201 |
0 |
0 |
0 |
0.022 |
| 33 |
34 |
|
[BNG]A:305 |
6 |
1 |
554 |
◊ |
[BNG]A:304 |
x,y,z |
1_555 |
8 |
1 |
554 |
44.9 |
2.1 |
0.152 |
0 |
0 |
0 |
0.000 |
| 34 |
35 |
|
[SO4]B:401 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
10773 |
40.9 |
-5.0 |
0.775 |
1 |
0 |
0 |
0.097 |
| 35 |
36 |
|
[SO4]A:400 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
11129 |
39.7 |
-4.8 |
0.825 |
1 |
0 |
0 |
0.093 |
| 36 |
37 |
|
[BNG]A:304 |
4 |
1 |
554 |
◊ |
[BNG]A:302 |
x,y,z |
1_555 |
6 |
1 |
562 |
38.2 |
1.0 |
0.145 |
0 |
0 |
0 |
0.000 |
| 37 |
38 |
|
A |
2 |
1 |
10773 |
◊ |
A |
-x,y,-z+3/2 |
3_556 |
1 |
1 |
10773 |
32.9 |
0.8 |
0.963 |
0 |
0 |
0 |
0.000 |
| 38 |
39 |
|
[BNG]A:303 |
2 |
1 |
564 |
◊ |
[BNG]A:303 |
x,-y,-z+1 |
4_556 |
2 |
1 |
564 |
31.4 |
0.4 |
0.283 |
0 |
0 |
0 |
0.000 |
| 39 |
40 |
|
[BNG]A:304 |
2 |
1 |
554 |
f |
[BNG]A:303 |
x,y,z |
1_555 |
3 |
1 |
564 |
30.2 |
0.3 |
0.180 |
0 |
0 |
0 |
0.000 |
| 40 |
41 |
|
[BNG]A:308 |
5 |
1 |
566 |
f |
[BNG]A:307 |
x,y,z |
1_555 |
4 |
1 |
567 |
28.2 |
0.7 |
0.145 |
0 |
0 |
0 |
0.000 |
| 41 |
42 |
|
[BNG]B:311 |
2 |
1 |
553 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
10773 |
11.0 |
0.3 |
0.437 |
0 |
0 |
0 |
0.000 |
| 42 |
43 |
|
[SO4]B:402 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10773 |
4.2 |
-0.6 |
0.639 |
0 |
0 |
0 |
0.010 |
| 43 |
44 |
|
A |
1 |
1 |
10773 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
10773 |
3.3 |
-0.1 |
0.434 |
0 |
0 |
0 |
0.000 |
| 44 |
45 |
|
[SO4]B:402 |
1 |
1 |
186 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
11129 |
2.5 |
-0.3 |
0.804 |
0 |
0 |
0 |
0.005 |
| 45 |
46 |
|
B |
1 |
1 |
11129 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
11129 |
0.2 |
-0.0 |
0.714 |
0 |
0 |
0 |
0.000 |
|