## |
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 |
73 |
25 |
15620 |
◊ |
A |
x,y,z |
1_555 |
73 |
25 |
15608 |
778.8 |
-2.2 |
0.399 |
10 |
10 |
0 |
0.000 |
2 |
2 |
|
A |
39 |
14 |
15608 |
◊ |
B |
x-1,y+1,z-1 |
1_464 |
40 |
14 |
15620 |
356.7 |
3.1 |
0.814 |
8 |
2 |
0 |
0.000 |
3 |
3 |
|
B |
42 |
11 |
15620 |
◊ |
A |
x,y-1,z+1 |
1_546 |
39 |
12 |
15608 |
343.1 |
-2.7 |
0.190 |
4 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
34 |
10 |
15608 |
◊ |
B |
x,y,z-1 |
1_554 |
25 |
7 |
15620 |
237.4 |
2.0 |
0.764 |
5 |
2 |
0 |
0.000 |
5 |
5 |
|
[PC]B:510 |
10 |
1 |
337 |
f |
B |
x,y,z |
1_555 |
34 |
16 |
15620 |
206.3 |
5.5 |
0.464 |
4 |
0 |
0 |
0.000 |
6 |
6 |
|
[PC]A:512 |
10 |
1 |
336 |
f |
A |
x,y,z |
1_555 |
32 |
13 |
15608 |
203.6 |
5.3 |
0.470 |
3 |
0 |
0 |
0.000 |
7 |
7 |
|
A |
24 |
6 |
15608 |
x |
A |
x,y-1,z |
1_545 |
23 |
6 |
15608 |
171.0 |
-0.3 |
0.437 |
3 |
0 |
0 |
0.000 |
8 |
8 |
|
[NAG]B:505 |
13 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
25 |
9 |
15620 |
159.9 |
4.1 |
0.383 |
0 |
0 |
0 |
0.000 |
9 |
|
[NAG]A:506 |
12 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
25 |
8 |
15608 |
156.8 |
3.9 |
0.384 |
0 |
0 |
0 |
0.000 |
Average: |
158.4 |
4.0 |
0.384 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
[NAG]B:502 |
12 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
20 |
5 |
15620 |
138.2 |
4.5 |
0.464 |
0 |
0 |
0 |
0.000 |
11 |
|
[NAG]A:503 |
12 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
18 |
5 |
15608 |
127.9 |
4.1 |
0.428 |
0 |
0 |
0 |
0.000 |
Average: |
133.1 |
4.3 |
0.446 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
[FUL]A:505 |
10 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
15608 |
131.2 |
3.8 |
0.381 |
2 |
0 |
0 |
0.000 |
11 |
13 |
|
[FUL]B:503 |
9 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
15620 |
130.0 |
4.4 |
0.495 |
2 |
0 |
0 |
0.000 |
12 |
14 |
|
[NAG]B:501 |
10 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
18 |
6 |
15620 |
125.8 |
2.6 |
0.314 |
0 |
0 |
0 |
0.000 |
15 |
|
[NAG]A:501 |
10 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
18 |
6 |
15608 |
124.0 |
2.6 |
0.326 |
0 |
0 |
0 |
0.000 |
Average: |
124.9 |
2.6 |
0.320 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
[EDO]A:513 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
15608 |
114.2 |
3.7 |
0.475 |
4 |
0 |
0 |
0.000 |
14 |
17 |
|
[EDO]B:511 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
20 |
10 |
15620 |
113.6 |
3.7 |
0.471 |
3 |
0 |
0 |
0.000 |
15 |
18 |
|
[EDO]A:511 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
15608 |
113.2 |
4.1 |
0.626 |
6 |
0 |
0 |
0.000 |
16 |
19 |
|
[EDO]A:510 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
15608 |
110.0 |
3.1 |
0.401 |
4 |
0 |
0 |
0.000 |
20 |
|
[EDO]B:509 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
15620 |
106.4 |
3.0 |
0.395 |
5 |
0 |
0 |
0.000 |
Average: |
108.2 |
3.0 |
0.398 |
5 |
0 |
0 |
0.000 |
17 |
21 |
|
A |
11 |
4 |
15608 |
◊ |
B |
x-1,y+1,z |
1_465 |
13 |
6 |
15620 |
98.6 |
2.1 |
0.847 |
2 |
3 |
0 |
0.000 |
18 |
22 |
|
[NAG]B:504 |
9 |
1 |
363 |
cf |
[NAG]B:502 |
x,y,z |
1_555 |
7 |
1 |
362 |
76.8 |
1.8 |
0.095 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
[NAG]A:502 |
7 |
1 |
350 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
7 |
1 |
362 |
73.7 |
2.1 |
0.156 |
0 |
0 |
0 |
0.000 |
24 |
|
[NAG]A:507 |
9 |
1 |
360 |
cf |
[NAG]A:506 |
x,y,z |
1_555 |
6 |
1 |
360 |
68.5 |
1.5 |
0.086 |
0 |
0 |
0 |
0.000 |
Average: |
71.1 |
1.8 |
0.121 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[NAG]A:504 |
9 |
1 |
362 |
cf |
[NAG]A:503 |
x,y,z |
1_555 |
7 |
1 |
362 |
72.2 |
1.7 |
0.094 |
0 |
0 |
0 |
0.000 |
26 |
|
[NAG]B:506 |
8 |
1 |
363 |
cf |
[NAG]B:505 |
x,y,z |
1_555 |
7 |
1 |
363 |
67.8 |
1.4 |
0.084 |
0 |
0 |
0 |
0.000 |
Average: |
70.0 |
1.6 |
0.089 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[FUL]B:503 |
5 |
1 |
277 |
cf |
[NAG]B:502 |
x,y,z |
1_555 |
6 |
1 |
362 |
61.3 |
2.0 |
0.173 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[FUL]A:505 |
5 |
1 |
276 |
cf |
[NAG]A:503 |
x,y,z |
1_555 |
6 |
1 |
362 |
61.2 |
1.9 |
0.173 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[NAG]A:507 |
5 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
15608 |
48.6 |
1.8 |
0.525 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[NAG]B:504 |
4 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
15620 |
48.5 |
1.4 |
0.500 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[NAG]B:506 |
5 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
15620 |
48.3 |
1.8 |
0.492 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[NAG]A:502 |
4 |
1 |
350 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
15608 |
39.4 |
0.9 |
0.458 |
1 |
0 |
0 |
0.000 |
27 |
33 |
|
[FUL]A:505 |
4 |
1 |
276 |
f |
[NAG]A:504 |
x,y,z |
1_555 |
7 |
1 |
362 |
34.8 |
1.6 |
0.133 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
[ZN]B:508 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
15620 |
34.2 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.054 |
35 |
|
[ZN]A:508 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
15608 |
34.2 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.054 |
Average: |
34.2 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.054 |
29 |
36 |
|
[ZN]A:509 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
15608 |
33.1 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.059 |
37 |
|
[ZN]B:507 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
15620 |
33.1 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.059 |
Average: |
33.1 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.059 |
30 |
38 |
|
[NAG]A:504 |
4 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
15608 |
29.9 |
0.8 |
0.369 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[FUL]B:503 |
3 |
1 |
277 |
f |
[NAG]B:504 |
x,y,z |
1_555 |
4 |
1 |
363 |
28.5 |
1.4 |
0.274 |
0 |
0 |
0 |
0.000 |
32 |
40 |
|
[PC]B:510 |
4 |
1 |
337 |
f |
[ZN]B:508 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.0 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.026 |
41 |
|
[PC]A:512 |
4 |
1 |
336 |
f |
[ZN]A:508 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
27.9 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.026 |
33 |
42 |
|
[PC]A:512 |
4 |
1 |
336 |
f |
[ZN]A:509 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.5 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.021 |
34 |
43 |
|
[PC]B:510 |
4 |
1 |
337 |
f |
[ZN]B:507 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.8 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.020 |
35 |
44 |
|
A |
3 |
1 |
15608 |
f |
[EDO]B:511 |
x-1,y+1,z-1 |
1_464 |
2 |
1 |
185 |
24.4 |
0.8 |
0.938 |
1 |
0 |
0 |
0.000 |
36 |
45 |
|
[EDO]A:513 |
1 |
1 |
184 |
f |
B |
x-1,y+1,z-1 |
1_464 |
2 |
1 |
15620 |
22.4 |
0.7 |
0.947 |
1 |
0 |
0 |
0.000 |
37 |
46 |
|
[EDO]A:510 |
2 |
1 |
185 |
f |
[NAG]A:506 |
x,y,z |
1_555 |
1 |
1 |
360 |
16.6 |
0.8 |
0.886 |
0 |
0 |
0 |
0.000 |
47 |
|
[EDO]B:509 |
2 |
1 |
185 |
f |
[NAG]B:505 |
x,y,z |
1_555 |
1 |
1 |
363 |
15.9 |
0.8 |
0.886 |
0 |
0 |
0 |
0.000 |
Average: |
16.2 |
0.8 |
0.886 |
0 |
0 |
0 |
0.000 |
38 |
48 |
|
[ZN]B:508 |
1 |
1 |
98 |
f |
[ZN]B:507 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.014 |
39 |
49 |
|
[ZN]A:509 |
1 |
1 |
98 |
f |
[ZN]A:508 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.015 |
40 |
50 |
|
[PC]A:512 |
1 |
1 |
336 |
◊ |
[EDO]A:513 |
x,y,z |
1_555 |
2 |
1 |
184 |
5.9 |
0.4 |
0.548 |
0 |
0 |
0 |
0.000 |
41 |
51 |
|
[PC]B:510 |
1 |
1 |
337 |
◊ |
[EDO]B:511 |
x,y,z |
1_555 |
2 |
1 |
185 |
5.5 |
0.4 |
0.548 |
0 |
0 |
0 |
0.000 |
|