| ## |
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 |
|
D |
157 |
43 |
14486 |
◊ |
C |
x,y,z |
1_555 |
171 |
52 |
14505 |
1614.1 |
-10.4 |
0.130 |
25 |
2 |
0 |
1.000 |
2 |
|
B |
159 |
43 |
14519 |
◊ |
A |
x,y,z |
1_555 |
174 |
52 |
14486 |
1609.9 |
-10.3 |
0.128 |
25 |
2 |
0 |
1.000 |
3 |
|
D |
170 |
52 |
14486 |
◊ |
A |
x,y,z |
1_555 |
155 |
43 |
14486 |
1605.5 |
-10.6 |
0.126 |
25 |
2 |
0 |
1.000 |
4 |
|
C |
154 |
43 |
14505 |
◊ |
B |
x,y,z |
1_555 |
171 |
52 |
14519 |
1605.4 |
-10.8 |
0.112 |
25 |
1 |
0 |
1.000 |
| Average: |
1608.7 |
-10.5 |
0.124 |
25 |
2 |
0 |
1.000 |
| 2 |
5 |
|
B |
41 |
15 |
14519 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
39 |
14 |
14505 |
348.4 |
-2.0 |
0.349 |
2 |
0 |
0 |
0.000 |
6 |
|
A |
39 |
14 |
14486 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
37 |
14 |
14486 |
341.3 |
-1.8 |
0.359 |
3 |
1 |
0 |
0.000 |
| Average: |
344.9 |
-1.9 |
0.354 |
3 |
1 |
0 |
0.000 |
| 3 |
7 |
|
[ZMR]D:1002 |
23 |
1 |
503 |
f |
D |
x,y,z |
1_555 |
39 |
17 |
14486 |
329.9 |
4.7 |
0.614 |
13 |
0 |
0 |
0.160 |
8 |
|
[ZMR]C:1002 |
23 |
1 |
501 |
f |
C |
x,y,z |
1_555 |
39 |
17 |
14505 |
328.5 |
4.8 |
0.637 |
13 |
0 |
0 |
0.160 |
9 |
|
[ZMR]B:1002 |
23 |
1 |
499 |
f |
B |
x,y,z |
1_555 |
39 |
17 |
14519 |
328.0 |
4.5 |
0.601 |
13 |
0 |
0 |
0.160 |
10 |
|
[ZMR]A:1002 |
23 |
1 |
500 |
f |
A |
x,y,z |
1_555 |
38 |
17 |
14486 |
326.9 |
5.0 |
0.640 |
14 |
0 |
0 |
0.160 |
| Average: |
328.3 |
4.7 |
0.623 |
13 |
0 |
0 |
0.160 |
| 4 |
11 |
|
A |
22 |
8 |
14486 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
8 |
14505 |
227.8 |
2.0 |
0.814 |
2 |
0 |
0 |
0.000 |
| 5 |
12 |
|
[NAG]D:601 |
12 |
1 |
359 |
cf |
D |
x,y,z |
1_555 |
21 |
4 |
14486 |
135.4 |
3.1 |
0.337 |
0 |
0 |
0 |
0.000 |
13 |
|
[NAG]B:601 |
12 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
21 |
4 |
14519 |
133.6 |
3.4 |
0.335 |
0 |
0 |
0 |
0.000 |
14 |
|
[NAG]A:601 |
12 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
21 |
5 |
14486 |
132.6 |
3.2 |
0.336 |
0 |
0 |
0 |
0.000 |
15 |
|
[NAG]C:601 |
12 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
21 |
4 |
14505 |
132.5 |
3.3 |
0.341 |
0 |
0 |
0 |
0.000 |
| Average: |
133.5 |
3.3 |
0.337 |
0 |
0 |
0 |
0.000 |
| 6 |
16 |
|
[NAG]B:604 |
9 |
1 |
361 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
14486 |
123.0 |
2.0 |
0.314 |
3 |
0 |
0 |
0.000 |
17 |
|
[NAG]D:604 |
10 |
1 |
359 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
14505 |
121.6 |
1.9 |
0.291 |
3 |
0 |
0 |
0.000 |
18 |
|
[NAG]C:604 |
10 |
1 |
362 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
14519 |
121.4 |
2.0 |
0.293 |
3 |
0 |
0 |
0.000 |
19 |
|
[NAG]A:604 |
10 |
1 |
360 |
◊ |
D |
x,y,z |
1_555 |
18 |
7 |
14486 |
121.3 |
1.9 |
0.295 |
3 |
0 |
0 |
0.000 |
| Average: |
121.8 |
2.0 |
0.298 |
3 |
0 |
0 |
0.000 |
| 7 |
20 |
|
[NAG]B:603 |
9 |
1 |
361 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
14486 |
104.7 |
1.3 |
0.238 |
3 |
0 |
0 |
0.000 |
21 |
|
[NAG]D:603 |
9 |
1 |
360 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
14505 |
103.9 |
1.4 |
0.238 |
2 |
0 |
0 |
0.000 |
22 |
|
[NAG]A:603 |
9 |
1 |
360 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
14486 |
101.3 |
1.3 |
0.211 |
1 |
0 |
0 |
0.000 |
23 |
|
[NAG]C:603 |
8 |
1 |
358 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
14519 |
101.0 |
1.3 |
0.251 |
1 |
0 |
0 |
0.000 |
| Average: |
102.7 |
1.3 |
0.235 |
2 |
0 |
0 |
0.000 |
| 8 |
24 |
|
[BMA]D:605 |
9 |
1 |
291 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
14505 |
103.2 |
1.5 |
0.265 |
3 |
0 |
0 |
0.000 |
25 |
|
[BMA]B:605 |
9 |
1 |
290 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
14486 |
103.2 |
1.4 |
0.241 |
3 |
0 |
0 |
0.000 |
26 |
|
[BMA]C:605 |
9 |
1 |
292 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
14519 |
103.2 |
1.4 |
0.251 |
3 |
0 |
0 |
0.000 |
27 |
|
[BMA]A:605 |
9 |
1 |
294 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
14486 |
102.7 |
1.4 |
0.257 |
3 |
0 |
0 |
0.000 |
| Average: |
103.1 |
1.4 |
0.253 |
3 |
0 |
0 |
0.000 |
| 9 |
28 |
|
[MAN]A:606 |
8 |
1 |
291 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
14486 |
93.4 |
1.9 |
0.354 |
0 |
0 |
0 |
0.000 |
29 |
|
[MAN]C:606 |
8 |
1 |
291 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
14519 |
93.4 |
1.9 |
0.356 |
0 |
0 |
0 |
0.000 |
30 |
|
[MAN]B:606 |
8 |
1 |
290 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
14486 |
91.8 |
1.9 |
0.340 |
0 |
0 |
0 |
0.000 |
31 |
|
[MAN]D:606 |
8 |
1 |
291 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
14505 |
91.3 |
1.9 |
0.353 |
0 |
0 |
0 |
0.000 |
| Average: |
92.5 |
1.9 |
0.351 |
0 |
0 |
0 |
0.000 |
| 10 |
32 |
|
[NAG]D:602 |
9 |
1 |
362 |
cf |
[NAG]D:601 |
x,y,z |
1_555 |
6 |
1 |
359 |
69.4 |
1.6 |
0.091 |
0 |
0 |
0 |
0.000 |
| 11 |
33 |
|
[NAG]B:604 |
8 |
1 |
361 |
cf |
[NAG]B:603 |
x,y,z |
1_555 |
6 |
1 |
361 |
68.2 |
1.5 |
0.099 |
0 |
0 |
0 |
0.000 |
34 |
|
[NAG]C:604 |
9 |
1 |
362 |
cf |
[NAG]C:603 |
x,y,z |
1_555 |
6 |
1 |
358 |
67.5 |
1.4 |
0.085 |
0 |
0 |
0 |
0.000 |
35 |
|
[NAG]D:604 |
8 |
1 |
359 |
cf |
[NAG]D:603 |
x,y,z |
1_555 |
6 |
1 |
360 |
67.4 |
1.4 |
0.101 |
0 |
0 |
0 |
0.000 |
36 |
|
[NAG]A:604 |
9 |
1 |
360 |
cf |
[NAG]A:603 |
x,y,z |
1_555 |
6 |
1 |
360 |
66.8 |
1.4 |
0.087 |
0 |
0 |
0 |
0.000 |
| Average: |
67.5 |
1.4 |
0.093 |
0 |
0 |
0 |
0.000 |
| 12 |
37 |
|
[NAG]A:602 |
9 |
1 |
359 |
cf |
[NAG]A:601 |
x,y,z |
1_555 |
6 |
1 |
359 |
67.5 |
1.6 |
0.095 |
0 |
0 |
0 |
0.000 |
38 |
|
[NAG]C:602 |
10 |
1 |
359 |
cf |
[NAG]C:601 |
x,y,z |
1_555 |
6 |
1 |
358 |
67.2 |
1.6 |
0.080 |
0 |
0 |
0 |
0.000 |
| Average: |
67.3 |
1.6 |
0.087 |
0 |
0 |
0 |
0.000 |
| 13 |
39 |
|
[MAN]A:606 |
6 |
1 |
291 |
cf |
[BMA]A:605 |
x,y,z |
1_555 |
6 |
1 |
294 |
61.6 |
2.7 |
0.246 |
0 |
0 |
0 |
0.000 |
40 |
|
[MAN]B:606 |
6 |
1 |
290 |
cf |
[BMA]B:605 |
x,y,z |
1_555 |
6 |
1 |
290 |
61.2 |
2.7 |
0.217 |
0 |
0 |
0 |
0.000 |
41 |
|
[MAN]D:606 |
6 |
1 |
291 |
cf |
[BMA]D:605 |
x,y,z |
1_555 |
6 |
1 |
291 |
61.1 |
2.7 |
0.231 |
0 |
0 |
0 |
0.000 |
42 |
|
[MAN]C:606 |
6 |
1 |
291 |
cf |
[BMA]C:605 |
x,y,z |
1_555 |
6 |
1 |
292 |
61.0 |
2.7 |
0.231 |
0 |
0 |
0 |
0.000 |
| Average: |
61.2 |
2.7 |
0.231 |
0 |
0 |
0 |
0.000 |
| 14 |
43 |
|
[NAG]B:603 |
7 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
7 |
3 |
14519 |
59.3 |
1.6 |
0.389 |
0 |
0 |
0 |
0.000 |
44 |
|
[NAG]D:603 |
6 |
1 |
360 |
cf |
D |
x,y,z |
1_555 |
6 |
3 |
14486 |
56.9 |
1.6 |
0.422 |
1 |
0 |
0 |
0.000 |
45 |
|
[NAG]C:603 |
7 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
4 |
1 |
14505 |
55.4 |
1.6 |
0.336 |
0 |
0 |
0 |
0.000 |
46 |
|
[NAG]A:603 |
6 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
4 |
1 |
14486 |
54.7 |
1.6 |
0.423 |
0 |
0 |
0 |
0.000 |
| Average: |
56.6 |
1.6 |
0.392 |
0 |
0 |
0 |
0.000 |
| 15 |
47 |
|
[BMA]C:605 |
8 |
1 |
292 |
cf |
[NAG]C:604 |
x,y,z |
1_555 |
5 |
1 |
362 |
59.2 |
1.3 |
0.097 |
0 |
0 |
0 |
0.000 |
48 |
|
[BMA]D:605 |
8 |
1 |
291 |
cf |
[NAG]D:604 |
x,y,z |
1_555 |
5 |
1 |
359 |
58.9 |
1.3 |
0.104 |
0 |
0 |
0 |
0.000 |
49 |
|
[BMA]A:605 |
8 |
1 |
294 |
cf |
[NAG]A:604 |
x,y,z |
1_555 |
6 |
1 |
360 |
58.8 |
1.3 |
0.093 |
0 |
0 |
0 |
0.000 |
50 |
|
[BMA]B:605 |
8 |
1 |
290 |
cf |
[NAG]B:604 |
x,y,z |
1_555 |
5 |
1 |
361 |
58.8 |
1.3 |
0.106 |
0 |
0 |
0 |
0.000 |
| Average: |
58.9 |
1.3 |
0.100 |
0 |
0 |
0 |
0.000 |
| 16 |
51 |
|
[CA]D:501 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
14486 |
44.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
1.000 |
52 |
|
[CA]A:501 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
14486 |
44.4 |
-12.7 |
0.000 |
0 |
0 |
0 |
1.000 |
53 |
|
[CA]C:501 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
14505 |
44.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
1.000 |
54 |
|
[CA]B:501 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
14519 |
44.1 |
-12.7 |
0.000 |
0 |
0 |
0 |
1.000 |
| Average: |
44.4 |
-12.7 |
0.000 |
0 |
0 |
0 |
1.000 |
| 17 |
55 |
|
[NAG]A:602 |
5 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
14486 |
37.8 |
0.3 |
0.163 |
0 |
0 |
0 |
0.000 |
56 |
|
[NAG]C:602 |
5 |
1 |
359 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
14505 |
37.6 |
0.3 |
0.161 |
0 |
0 |
0 |
0.000 |
| Average: |
37.7 |
0.3 |
0.162 |
0 |
0 |
0 |
0.000 |
| 18 |
57 |
|
[NAG]D:602 |
5 |
1 |
362 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
14486 |
33.9 |
0.2 |
0.148 |
0 |
0 |
0 |
0.000 |
| 19 |
58 |
|
[MAN]C:606 |
3 |
1 |
291 |
f |
[NAG]C:604 |
x,y,z |
1_555 |
3 |
1 |
362 |
24.1 |
0.9 |
0.255 |
0 |
0 |
0 |
0.000 |
59 |
|
[MAN]A:606 |
3 |
1 |
291 |
f |
[NAG]A:604 |
x,y,z |
1_555 |
3 |
1 |
360 |
24.0 |
0.9 |
0.255 |
0 |
0 |
0 |
0.000 |
60 |
|
[MAN]B:606 |
3 |
1 |
290 |
f |
[NAG]B:604 |
x,y,z |
1_555 |
3 |
1 |
361 |
23.7 |
0.9 |
0.253 |
0 |
0 |
0 |
0.000 |
61 |
|
[MAN]D:606 |
3 |
1 |
291 |
f |
[NAG]D:604 |
x,y,z |
1_555 |
2 |
1 |
359 |
23.1 |
0.9 |
0.327 |
0 |
0 |
0 |
0.000 |
| Average: |
23.7 |
0.9 |
0.273 |
0 |
0 |
0 |
0.000 |
| 20 |
62 |
|
[NAG]D:601 |
1 |
1 |
359 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14505 |
1.1 |
0.0 |
0.250 |
0 |
0 |
0 |
0.000 |
63 |
|
[NAG]C:601 |
1 |
1 |
358 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14519 |
0.8 |
0.0 |
0.259 |
0 |
0 |
0 |
0.000 |
64 |
|
[NAG]B:601 |
1 |
1 |
359 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14486 |
0.7 |
0.0 |
0.256 |
0 |
0 |
0 |
0.000 |
65 |
|
[NAG]A:601 |
1 |
1 |
359 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
14486 |
0.3 |
0.0 |
0.277 |
0 |
0 |
0 |
0.000 |
| Average: |
0.7 |
0.0 |
0.261 |
0 |
0 |
0 |
0.000 |
|