| ## |
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 |
104 |
30 |
18029 |
◊ |
A |
-x+1,y,-z-1/2 |
3_654 |
110 |
34 |
17982 |
993.9 |
-9.8 |
0.241 |
0 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
58 |
20 |
17982 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
56 |
19 |
17982 |
570.8 |
-1.9 |
0.607 |
0 |
0 |
0 |
0.008 |
| 3 |
3 |
|
B |
60 |
22 |
18029 |
◊ |
A |
x,y,z |
1_555 |
56 |
24 |
17982 |
527.7 |
-8.1 |
0.136 |
2 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
46 |
15 |
18029 |
◊ |
B |
x,-y,-z |
4_555 |
46 |
15 |
18029 |
449.0 |
-5.3 |
0.251 |
6 |
0 |
0 |
0.000 |
| 5 |
5 |
|
B |
41 |
13 |
18029 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
42 |
14 |
17982 |
367.2 |
-4.9 |
0.241 |
2 |
0 |
0 |
0.000 |
| 6 |
6 |
|
B |
25 |
10 |
18029 |
◊ |
B |
-x+1,y,-z-1/2 |
3_654 |
25 |
10 |
18029 |
223.5 |
0.2 |
0.718 |
0 |
0 |
0 |
0.000 |
| 7 |
7 |
|
B |
20 |
7 |
18029 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
21 |
7 |
17982 |
176.1 |
0.0 |
0.620 |
1 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[NAG]A:1498 |
11 |
1 |
356 |
cf |
A |
x,y,z |
1_555 |
19 |
7 |
17982 |
132.9 |
3.0 |
0.374 |
0 |
0 |
0 |
0.000 |
9 |
|
[NAG]B:1498 |
11 |
1 |
356 |
cf |
B |
x,y,z |
1_555 |
19 |
8 |
18029 |
125.8 |
3.0 |
0.374 |
0 |
0 |
0 |
0.000 |
| Average: |
129.3 |
3.0 |
0.374 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[SO4]A:1501 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
17982 |
106.7 |
-16.6 |
0.705 |
4 |
0 |
0 |
0.159 |
| 10 |
11 |
|
[SO4]B:1511 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
18029 |
103.8 |
-16.6 |
0.723 |
5 |
0 |
0 |
0.023 |
| 11 |
12 |
|
[SO4]A:1502 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
17982 |
94.0 |
-13.3 |
0.881 |
4 |
0 |
0 |
0.131 |
| 12 |
13 |
|
[SO4]A:1503 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
17982 |
94.0 |
-12.8 |
0.873 |
2 |
0 |
0 |
0.119 |
| 13 |
14 |
|
[SO4]B:1515 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
18029 |
92.9 |
-12.9 |
0.846 |
3 |
0 |
0 |
0.017 |
| 14 |
15 |
|
[SO4]B:1508 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
18029 |
92.9 |
-12.8 |
0.918 |
7 |
0 |
0 |
0.019 |
| 15 |
16 |
|
[NAG]B:1506 |
7 |
1 |
362 |
◊ |
A |
-x+1,y,-z-1/2 |
3_654 |
12 |
6 |
17982 |
89.6 |
1.7 |
0.376 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[SO4]A:1506 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
17982 |
89.1 |
-14.1 |
0.809 |
4 |
0 |
0 |
0.137 |
| 17 |
18 |
|
[NAG]B:1503 |
7 |
1 |
361 |
◊ |
B |
x,-y,-z |
4_555 |
7 |
4 |
18029 |
88.3 |
1.4 |
0.213 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[SO4]A:1504 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
17982 |
87.0 |
-12.4 |
0.806 |
2 |
0 |
0 |
0.116 |
| 19 |
20 |
|
[SO4]B:1510 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
18029 |
83.1 |
-11.4 |
0.819 |
2 |
0 |
0 |
0.015 |
| 20 |
21 |
|
[NAG]A:1500 |
9 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
7 |
3 |
17982 |
82.3 |
2.1 |
0.374 |
1 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[NAG]B:1507 |
8 |
1 |
361 |
◊ |
A |
-x+1,y,-z-1/2 |
3_654 |
10 |
4 |
17982 |
79.6 |
0.3 |
0.149 |
2 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[SO4]B:1514 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
18029 |
78.4 |
-10.7 |
0.867 |
1 |
0 |
0 |
0.013 |
| 23 |
24 |
|
[NAG]B:1503 |
7 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
7 |
2 |
18029 |
75.9 |
2.4 |
0.497 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
A |
7 |
4 |
17982 |
x |
A |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
7 |
2 |
17982 |
74.7 |
-1.1 |
0.257 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[SO4]B:1512 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
18029 |
74.0 |
-11.4 |
0.720 |
3 |
0 |
0 |
0.015 |
| 26 |
27 |
|
[NAG]B:1506 |
7 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
10 |
3 |
18029 |
73.7 |
2.4 |
0.437 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[SO4]B:1513 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
18029 |
71.6 |
-10.0 |
0.762 |
1 |
0 |
0 |
0.013 |
| 28 |
29 |
|
[NAG]B:1507 |
8 |
1 |
361 |
cf |
[NAG]B:1506 |
x,y,z |
1_555 |
7 |
1 |
362 |
71.1 |
1.5 |
0.091 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[NAG]B:1499 |
9 |
1 |
359 |
cf |
[NAG]B:1498 |
x,y,z |
1_555 |
7 |
1 |
356 |
71.0 |
1.9 |
0.097 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[NAG]B:1504 |
6 |
1 |
364 |
cf |
[NAG]B:1503 |
x,y,z |
1_555 |
7 |
1 |
361 |
70.3 |
2.1 |
0.160 |
0 |
0 |
0 |
0.000 |
| 31 |
32 |
|
[SO4]A:1509 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
17982 |
70.1 |
-9.7 |
0.777 |
1 |
0 |
0 |
0.088 |
| 32 |
33 |
|
[BMA]B:1505 |
6 |
1 |
296 |
cf |
[NAG]B:1504 |
x,y,z |
1_555 |
7 |
1 |
364 |
67.1 |
1.6 |
0.108 |
0 |
0 |
0 |
0.000 |
| 33 |
34 |
|
[SO4]A:1507 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
17982 |
65.9 |
-8.2 |
0.923 |
4 |
0 |
0 |
0.086 |
| 34 |
35 |
|
[MAN]B:1502 |
7 |
1 |
298 |
cf |
[BMA]B:1500 |
x,y,z |
1_555 |
7 |
1 |
294 |
64.9 |
2.8 |
0.153 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[NAG]B:1504 |
9 |
1 |
364 |
◊ |
[NAG]B:1499 |
x,-y,-z |
4_555 |
7 |
1 |
359 |
63.2 |
2.2 |
0.114 |
0 |
0 |
0 |
0.000 |
| 36 |
37 |
|
[SO4]B:1509 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
18029 |
62.7 |
-8.0 |
0.947 |
3 |
0 |
0 |
0.011 |
| 37 |
38 |
|
[NAG]A:1499 |
11 |
1 |
354 |
cf |
[NAG]A:1498 |
x,y,z |
1_555 |
6 |
1 |
356 |
62.4 |
1.4 |
0.064 |
0 |
0 |
0 |
0.000 |
| 38 |
39 |
|
[SO4]A:1505 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
17982 |
60.1 |
-7.9 |
0.897 |
2 |
0 |
0 |
0.076 |
| 39 |
40 |
|
[BMA]B:1500 |
8 |
1 |
294 |
cf |
[NAG]B:1499 |
x,y,z |
1_555 |
6 |
1 |
359 |
59.6 |
1.6 |
0.105 |
0 |
0 |
0 |
0.000 |
| 40 |
41 |
|
[SO4]A:1508 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
17982 |
57.5 |
-7.2 |
0.899 |
1 |
0 |
0 |
0.066 |
| 41 |
42 |
|
[MAN]B:1501 |
6 |
1 |
288 |
cf |
[BMA]B:1500 |
x,y,z |
1_555 |
5 |
1 |
294 |
54.2 |
1.7 |
0.203 |
0 |
0 |
0 |
0.000 |
| 42 |
43 |
|
[SO4]A:1505 |
4 |
1 |
185 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
5 |
2 |
17982 |
47.8 |
-6.1 |
0.855 |
1 |
0 |
0 |
0.057 |
| 43 |
44 |
|
[BMA]B:1505 |
4 |
1 |
296 |
◊ |
B |
x,-y,-z |
4_555 |
7 |
3 |
18029 |
45.8 |
1.8 |
0.534 |
0 |
0 |
0 |
0.000 |
| 44 |
45 |
|
[NAG]B:1499 |
4 |
1 |
359 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
18029 |
45.3 |
1.5 |
0.504 |
0 |
0 |
0 |
0.000 |
| 45 |
46 |
|
[BMA]B:1500 |
3 |
1 |
294 |
◊ |
[NAG]B:1504 |
x,-y,-z |
4_555 |
3 |
1 |
364 |
38.0 |
1.8 |
0.368 |
0 |
0 |
0 |
0.000 |
| 46 |
47 |
|
[NAG]B:1504 |
5 |
1 |
364 |
◊ |
B |
x,-y,-z |
4_555 |
5 |
3 |
18029 |
35.9 |
-0.3 |
0.157 |
0 |
0 |
0 |
0.000 |
| 47 |
48 |
|
[NAG]B:1504 |
4 |
1 |
364 |
◊ |
[NAG]B:1498 |
x,-y,-z |
4_555 |
6 |
1 |
356 |
35.8 |
1.0 |
0.151 |
1 |
0 |
0 |
0.000 |
| 48 |
49 |
|
[MAN]B:1501 |
5 |
1 |
288 |
◊ |
[NAG]B:1504 |
x,-y,-z |
4_555 |
4 |
1 |
364 |
32.0 |
0.3 |
0.146 |
0 |
0 |
0 |
0.000 |
| 49 |
50 |
|
[NAG]A:1499 |
5 |
1 |
354 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
17982 |
31.8 |
0.3 |
0.255 |
0 |
0 |
0 |
0.000 |
| 50 |
51 |
|
[BMA]B:1505 |
4 |
1 |
296 |
◊ |
[NAG]B:1498 |
x,-y,-z |
4_555 |
3 |
1 |
356 |
20.8 |
0.5 |
0.147 |
0 |
0 |
0 |
0.000 |
| 51 |
52 |
|
[MAN]B:1501 |
3 |
1 |
288 |
f |
[NAG]B:1499 |
x,y,z |
1_555 |
2 |
1 |
359 |
14.6 |
0.4 |
0.215 |
0 |
0 |
0 |
0.000 |
| 52 |
53 |
|
[NAG]A:1498 |
3 |
1 |
356 |
◊ |
A |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
4 |
1 |
17982 |
13.4 |
0.6 |
0.411 |
0 |
0 |
0 |
0.000 |
| 53 |
54 |
|
[MAN]B:1502 |
2 |
1 |
298 |
f |
[NAG]B:1499 |
x,y,z |
1_555 |
2 |
1 |
359 |
11.0 |
0.2 |
0.219 |
0 |
0 |
0 |
0.000 |
| 54 |
55 |
|
[NAG]B:1503 |
2 |
1 |
361 |
◊ |
[NAG]B:1498 |
x,-y,-z |
4_555 |
1 |
1 |
356 |
10.5 |
0.2 |
0.270 |
0 |
0 |
0 |
0.000 |
| 55 |
56 |
|
[NAG]B:1503 |
2 |
1 |
361 |
◊ |
[NAG]B:1499 |
x,-y,-z |
4_555 |
4 |
1 |
359 |
9.5 |
0.1 |
0.192 |
0 |
0 |
0 |
0.000 |
| 56 |
57 |
|
[SO4]A:1501 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18029 |
9.3 |
-1.3 |
0.418 |
0 |
0 |
0 |
0.000 |
| 57 |
58 |
|
[SO4]A:1507 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18029 |
8.5 |
-0.7 |
0.866 |
0 |
0 |
0 |
0.000 |
| 58 |
59 |
|
[BMA]B:1505 |
1 |
1 |
296 |
◊ |
[NAG]B:1499 |
x,-y,-z |
4_555 |
3 |
1 |
359 |
7.4 |
0.1 |
0.179 |
0 |
0 |
0 |
0.000 |
| 59 |
60 |
|
[SO4]A:1507 |
1 |
1 |
185 |
f |
[SO4]A:1504 |
x,y,z |
1_555 |
1 |
1 |
186 |
6.2 |
-1.5 |
0.800 |
0 |
0 |
0 |
0.013 |
| 60 |
61 |
|
[SO4]B:1510 |
1 |
1 |
184 |
f |
[SO4]B:1509 |
x,y,z |
1_555 |
1 |
1 |
186 |
6.0 |
-1.4 |
0.800 |
0 |
0 |
0 |
0.002 |
| 61 |
62 |
|
[SO4]B:1509 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
17982 |
5.4 |
-0.5 |
0.823 |
0 |
0 |
0 |
0.000 |
| 62 |
63 |
|
[NAG]B:1507 |
1 |
1 |
361 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
1 |
1 |
17982 |
5.3 |
0.1 |
0.298 |
0 |
0 |
0 |
0.000 |
| 63 |
64 |
|
[SO4]A:1508 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18029 |
3.0 |
-0.3 |
0.918 |
0 |
0 |
0 |
0.000 |
| 64 |
65 |
|
[SO4]B:1511 |
1 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
17982 |
2.6 |
-0.4 |
0.734 |
0 |
0 |
0 |
0.000 |
| 65 |
66 |
|
B |
1 |
1 |
18029 |
◊ |
[BMA]B:1505 |
-x+1,-y,z-1/2 |
2_654 |
1 |
1 |
296 |
2.3 |
0.1 |
0.369 |
0 |
0 |
0 |
0.000 |
|