| ## |
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 |
157 |
41 |
21089 |
◊ |
A |
-x,-x+y,-z+1/3 |
9_555 |
153 |
40 |
21089 |
1541.8 |
-17.7 |
0.038 |
3 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
59 |
20 |
21089 |
◊ |
A |
-y,-x,-z+1/6 |
10_555 |
59 |
20 |
21089 |
465.6 |
0.5 |
0.792 |
1 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[GDE]A:603 |
12 |
1 |
301 |
f |
A |
x,y,z |
1_555 |
27 |
14 |
21089 |
194.9 |
-1.4 |
0.317 |
3 |
0 |
0 |
0.156 |
| 4 |
4 |
|
[NAG]C:1 |
13 |
1 |
357 |
cf |
A |
x,y,z |
1_555 |
26 |
10 |
21089 |
168.0 |
5.1 |
0.501 |
0 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[NAG]G:1 |
12 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
23 |
10 |
21089 |
165.9 |
4.7 |
0.474 |
1 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[NAG]B:1 |
12 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
20 |
8 |
21089 |
155.1 |
3.9 |
0.423 |
0 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[FWN]A:612 |
9 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
21089 |
112.7 |
2.7 |
0.496 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[NAG]D:1 |
13 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
13 |
4 |
21089 |
112.2 |
1.6 |
0.138 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[NAG]A:602 |
12 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
21089 |
108.0 |
2.6 |
0.288 |
0 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[MAN]B:6 |
9 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
21089 |
102.0 |
1.1 |
0.275 |
1 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[NAG]E:1 |
10 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
13 |
3 |
21089 |
88.7 |
2.7 |
0.326 |
0 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[NAG]A:601 |
8 |
1 |
351 |
cf |
A |
x,y,z |
1_555 |
13 |
5 |
21089 |
85.4 |
2.7 |
0.450 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[NAG]F:1 |
8 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
7 |
2 |
21089 |
75.5 |
2.0 |
0.388 |
0 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[MAN]C:4 |
9 |
1 |
295 |
◊ |
A |
x,x-y-1,-z-1/6 |
12_544 |
11 |
5 |
21089 |
73.5 |
0.2 |
0.163 |
0 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[NAG]D:2 |
6 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
21089 |
73.2 |
1.7 |
0.409 |
1 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[NAG]E:2 |
8 |
1 |
360 |
cf |
[NAG]E:1 |
x,y,z |
1_555 |
7 |
1 |
362 |
72.4 |
1.9 |
0.091 |
0 |
0 |
0 |
0.000 |
17 |
|
[NAG]D:2 |
10 |
1 |
360 |
cf |
[NAG]D:1 |
x,y,z |
1_555 |
5 |
1 |
361 |
70.6 |
1.8 |
0.088 |
0 |
0 |
0 |
0.000 |
| Average: |
71.5 |
1.8 |
0.089 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[NAG]G:2 |
9 |
1 |
361 |
cf |
[NAG]G:1 |
x,y,z |
1_555 |
6 |
1 |
359 |
71.0 |
1.8 |
0.082 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[CL]A:609 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
21089 |
69.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.719 |
| 19 |
20 |
|
[NAG]F:2 |
9 |
1 |
359 |
cf |
[NAG]F:1 |
x,y,z |
1_555 |
6 |
1 |
361 |
69.0 |
1.6 |
0.108 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[NAG]C:2 |
9 |
1 |
360 |
cf |
[NAG]C:1 |
x,y,z |
1_555 |
6 |
1 |
357 |
68.4 |
1.5 |
0.082 |
0 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[NAG]B:2 |
10 |
1 |
360 |
cf |
[NAG]B:1 |
x,y,z |
1_555 |
6 |
1 |
360 |
67.2 |
1.5 |
0.080 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[NAG]C:2 |
4 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
21089 |
65.3 |
1.5 |
0.419 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[CL]A:610 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
21089 |
65.2 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.497 |
| 24 |
25 |
|
[MAN]B:6 |
7 |
1 |
294 |
cf |
[MAN]B:5 |
x,y,z |
1_555 |
7 |
1 |
288 |
60.4 |
2.2 |
0.172 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[MAN]C:6 |
7 |
1 |
288 |
cf |
[BMA]C:3 |
x,y,z |
1_555 |
5 |
1 |
287 |
60.1 |
2.5 |
0.232 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[BMA]C:3 |
7 |
1 |
287 |
cf |
[NAG]C:2 |
x,y,z |
1_555 |
6 |
1 |
360 |
60.0 |
1.1 |
0.080 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[MAN]B:8 |
7 |
1 |
291 |
cf |
[BMA]B:3 |
x,y,z |
1_555 |
6 |
1 |
290 |
59.5 |
2.6 |
0.180 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[MAN]C:4 |
7 |
1 |
295 |
cf |
[BMA]C:3 |
x,y,z |
1_555 |
6 |
1 |
287 |
59.2 |
2.7 |
0.229 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[NAG]F:1 |
5 |
1 |
361 |
◊ |
A |
x,x-y-1,-z-1/6 |
12_544 |
10 |
6 |
21089 |
58.0 |
1.1 |
0.416 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[MAN]B:4 |
6 |
1 |
294 |
cf |
[BMA]B:3 |
x,y,z |
1_555 |
4 |
1 |
290 |
57.9 |
2.0 |
0.257 |
0 |
0 |
0 |
0.000 |
| 31 |
32 |
|
[BMA]B:3 |
6 |
1 |
290 |
cf |
[NAG]B:2 |
x,y,z |
1_555 |
6 |
1 |
360 |
57.7 |
1.2 |
0.111 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[MAN]B:4 |
7 |
1 |
294 |
f |
[NAG]B:2 |
x,y,z |
1_555 |
7 |
1 |
360 |
56.3 |
1.5 |
0.120 |
0 |
0 |
0 |
0.000 |
| 33 |
34 |
|
[MAN]B:6 |
5 |
1 |
294 |
f |
[NAG]B:2 |
x,y,z |
1_555 |
7 |
1 |
360 |
56.2 |
1.9 |
0.207 |
1 |
0 |
0 |
0.000 |
| 34 |
35 |
|
[FWN]A:612 |
5 |
1 |
397 |
f |
[NAG]B:1 |
x,y,z |
1_555 |
5 |
1 |
360 |
55.6 |
1.3 |
0.273 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[MAN]B:7 |
6 |
1 |
282 |
cf |
[MAN]B:4 |
x,y,z |
1_555 |
5 |
1 |
294 |
55.3 |
2.3 |
0.225 |
0 |
0 |
0 |
0.000 |
| 36 |
37 |
|
[NA]A:611 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
21089 |
55.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.410 |
| 37 |
38 |
|
[MAN]C:5 |
4 |
1 |
286 |
cf |
[MAN]C:4 |
x,y,z |
1_555 |
5 |
1 |
295 |
53.9 |
1.9 |
0.325 |
0 |
0 |
0 |
0.000 |
| 38 |
39 |
|
[MAN]B:5 |
6 |
1 |
288 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
21089 |
51.8 |
0.7 |
0.263 |
1 |
0 |
0 |
0.000 |
| 39 |
40 |
|
[MAN]B:5 |
6 |
1 |
288 |
cf |
[MAN]B:4 |
x,y,z |
1_555 |
4 |
1 |
294 |
51.6 |
2.4 |
0.260 |
0 |
0 |
0 |
0.000 |
| 40 |
41 |
|
[NAG]E:1 |
6 |
1 |
362 |
◊ |
A |
-x,-x+y,-z+1/3 |
9_555 |
4 |
1 |
21089 |
50.5 |
1.2 |
0.309 |
1 |
0 |
0 |
0.000 |
| 41 |
42 |
|
[ZN]A:605 |
1 |
1 |
98 |
cx |
A |
x,y,z |
1_555 |
6 |
2 |
21089 |
46.5 |
-27.8 |
0.000 |
0 |
0 |
0 |
1.000 |
| 42 |
43 |
|
[NAG]B:2 |
6 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
21089 |
42.0 |
1.3 |
0.408 |
0 |
0 |
0 |
0.000 |
| 43 |
44 |
|
[ZN]A:608 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
21089 |
40.2 |
-19.2 |
0.000 |
0 |
0 |
0 |
1.000 |
| 44 |
45 |
|
[MAN]B:7 |
5 |
1 |
282 |
f |
[NAG]B:2 |
x,y,z |
1_555 |
4 |
1 |
360 |
38.9 |
2.1 |
0.272 |
0 |
0 |
0 |
0.000 |
| 45 |
46 |
|
[NAG]G:2 |
1 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
21089 |
38.5 |
1.2 |
0.636 |
0 |
0 |
0 |
0.000 |
| 46 |
47 |
|
[ZN]A:606 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
8 |
4 |
21089 |
37.6 |
-19.7 |
0.000 |
0 |
0 |
0 |
1.000 |
| 47 |
48 |
|
A |
4 |
3 |
21089 |
◊ |
A |
x,x-y-1,-z-1/6 |
12_544 |
4 |
3 |
21089 |
37.0 |
0.9 |
0.875 |
0 |
0 |
0 |
0.000 |
| 48 |
49 |
|
[MAN]B:5 |
5 |
1 |
288 |
f |
[BMA]B:3 |
x,y,z |
1_555 |
6 |
1 |
290 |
36.9 |
1.4 |
0.135 |
0 |
0 |
0 |
0.000 |
| 49 |
50 |
|
[MAN]B:6 |
4 |
1 |
294 |
f |
[MAN]B:4 |
x,y,z |
1_555 |
4 |
1 |
294 |
34.1 |
0.8 |
0.174 |
0 |
0 |
0 |
0.000 |
| 50 |
51 |
|
[ZN]A:607 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
3 |
1 |
21089 |
32.3 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 51 |
52 |
|
[FWN]A:612 |
3 |
1 |
397 |
f |
[NAG]B:2 |
x,y,z |
1_555 |
3 |
1 |
360 |
31.2 |
0.5 |
0.271 |
0 |
0 |
0 |
0.000 |
| 52 |
53 |
|
[MAN]B:6 |
2 |
1 |
294 |
f |
[NAG]B:1 |
x,y,z |
1_555 |
4 |
1 |
360 |
26.0 |
1.5 |
0.375 |
0 |
0 |
0 |
0.000 |
| 53 |
54 |
|
[NAG]E:1 |
3 |
1 |
362 |
f |
[NAG]A:601 |
x,y,z |
1_555 |
3 |
1 |
351 |
26.0 |
1.5 |
0.291 |
0 |
0 |
0 |
0.000 |
| 54 |
55 |
|
[MAN]C:5 |
4 |
1 |
286 |
f |
[BMA]C:3 |
x,y,z |
1_555 |
3 |
1 |
287 |
24.5 |
0.4 |
0.173 |
0 |
0 |
0 |
0.000 |
| 55 |
56 |
|
[MAN]B:6 |
4 |
1 |
294 |
f |
[BMA]B:3 |
x,y,z |
1_555 |
4 |
1 |
290 |
23.9 |
0.9 |
0.173 |
0 |
0 |
0 |
0.000 |
| 56 |
57 |
|
[MAN]B:5 |
3 |
1 |
288 |
f |
[NAG]B:2 |
x,y,z |
1_555 |
5 |
1 |
360 |
23.5 |
0.9 |
0.166 |
0 |
0 |
0 |
0.000 |
| 57 |
58 |
|
[MAN]B:4 |
2 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
21089 |
23.3 |
0.0 |
0.370 |
0 |
0 |
0 |
0.000 |
| 58 |
59 |
|
[NA]A:611 |
1 |
1 |
125 |
◊ |
[NAG]F:1 |
x,x-y-1,-z-1/6 |
12_544 |
3 |
1 |
361 |
21.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 59 |
60 |
|
[MAN]B:7 |
1 |
1 |
282 |
◊ |
A |
x-y,x,z-1/6 |
6_554 |
2 |
2 |
21089 |
19.1 |
0.7 |
0.774 |
0 |
0 |
0 |
0.000 |
| 60 |
61 |
|
[NAG]E:2 |
3 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
21089 |
15.9 |
0.6 |
0.401 |
0 |
0 |
0 |
0.000 |
| 61 |
62 |
|
[NA]A:611 |
1 |
1 |
125 |
◊ |
A |
x,x-y-1,-z-1/6 |
12_544 |
4 |
2 |
21089 |
15.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 62 |
63 |
|
[MAN]C:4 |
3 |
1 |
295 |
f |
[NAG]C:2 |
x,y,z |
1_555 |
3 |
1 |
360 |
15.4 |
0.6 |
0.239 |
0 |
0 |
0 |
0.000 |
| 63 |
64 |
|
[NAG]C:2 |
2 |
1 |
360 |
◊ |
[NAG]C:2 |
x,x-y-1,-z-1/6 |
12_544 |
2 |
1 |
360 |
13.5 |
0.4 |
0.204 |
0 |
0 |
0 |
0.000 |
| 64 |
65 |
|
[ZN]A:607 |
1 |
1 |
98 |
x |
[NAG]C:1 |
x,y,z |
1_555 |
2 |
1 |
357 |
11.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 65 |
66 |
|
[MAN]C:5 |
4 |
1 |
286 |
◊ |
A |
x,x-y-1,-z-1/6 |
12_544 |
4 |
3 |
21089 |
10.3 |
-0.0 |
0.256 |
0 |
0 |
0 |
0.000 |
| 66 |
67 |
|
[MAN]B:7 |
1 |
1 |
282 |
f |
[BMA]B:3 |
x,y,z |
1_555 |
1 |
1 |
290 |
9.8 |
0.4 |
0.234 |
0 |
0 |
0 |
0.000 |
| 67 |
68 |
|
[MAN]C:6 |
1 |
1 |
288 |
f |
[NAG]C:2 |
x,y,z |
1_555 |
3 |
1 |
360 |
9.2 |
0.4 |
0.249 |
0 |
0 |
0 |
0.000 |
| 68 |
69 |
|
[MAN]C:4 |
1 |
1 |
295 |
◊ |
[NAG]C:1 |
x,x-y-1,-z-1/6 |
12_544 |
1 |
1 |
357 |
6.8 |
0.2 |
0.161 |
0 |
0 |
0 |
0.000 |
| 69 |
70 |
|
[NAG]A:601 |
2 |
1 |
351 |
◊ |
A |
-x,-x+y,-z+1/3 |
9_555 |
1 |
1 |
21089 |
6.1 |
-0.1 |
0.403 |
0 |
0 |
0 |
0.000 |
| 70 |
71 |
|
[MAN]B:8 |
3 |
1 |
291 |
f |
[NAG]B:2 |
x,y,z |
1_555 |
2 |
1 |
360 |
5.5 |
0.1 |
0.189 |
0 |
0 |
0 |
0.000 |
| 71 |
72 |
|
[MAN]B:8 |
2 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
21089 |
4.9 |
0.2 |
0.421 |
0 |
0 |
0 |
0.000 |
| 72 |
73 |
|
[NAG]F:2 |
1 |
1 |
359 |
◊ |
A |
x,x-y-1,-z-1/6 |
12_544 |
1 |
1 |
21089 |
2.4 |
0.0 |
0.235 |
0 |
0 |
0 |
0.000 |
| 73 |
74 |
|
[MAN]C:4 |
1 |
1 |
295 |
◊ |
[NAG]C:2 |
x,x-y-1,-z-1/6 |
12_544 |
1 |
1 |
360 |
2.2 |
0.1 |
0.161 |
0 |
0 |
0 |
0.000 |
| 74 |
75 |
|
[ZN]A:608 |
1 |
1 |
98 |
◊ |
A |
-y,-x,-z+1/6 |
10_555 |
1 |
1 |
21089 |
1.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.046 |
| 75 |
76 |
|
[NAG]C:2 |
1 |
1 |
360 |
◊ |
[NAG]C:1 |
x,x-y-1,-z-1/6 |
12_544 |
1 |
1 |
357 |
1.7 |
0.1 |
0.143 |
0 |
0 |
0 |
0.000 |
| 76 |
77 |
|
[BMA]C:3 |
1 |
1 |
287 |
◊ |
A |
x,x-y-1,-z-1/6 |
12_544 |
1 |
1 |
21089 |
0.2 |
0.0 |
0.341 |
0 |
0 |
0 |
0.000 |
|