| ## |
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 |
|
O |
216 |
58 |
11487 |
◊ |
K |
x,y,z |
1_555 |
191 |
60 |
12415 |
1806.5 |
-26.1 |
0.045 |
13 |
1 |
0 |
0.599 |
2 |
|
N |
210 |
57 |
11535 |
◊ |
J |
x,y,z |
1_555 |
191 |
58 |
12296 |
1803.4 |
-25.3 |
0.050 |
11 |
0 |
0 |
0.599 |
3 |
|
M |
212 |
58 |
11435 |
◊ |
I |
x,y,z |
1_555 |
192 |
59 |
12341 |
1785.5 |
-25.5 |
0.053 |
10 |
1 |
0 |
0.599 |
4 |
|
L |
212 |
57 |
11388 |
◊ |
H |
x,y,z |
1_555 |
185 |
58 |
12345 |
1771.9 |
-25.9 |
0.048 |
13 |
1 |
0 |
0.599 |
| Average: |
1791.8 |
-25.7 |
0.049 |
12 |
1 |
0 |
0.599 |
| 2 |
5 |
|
I |
73 |
19 |
12341 |
◊ |
B |
x,y,z |
1_555 |
82 |
27 |
12336 |
680.5 |
-5.2 |
0.478 |
10 |
0 |
0 |
0.000 |
6 |
|
K |
73 |
19 |
12415 |
◊ |
D |
x,y,z |
1_555 |
80 |
28 |
12287 |
665.5 |
-4.7 |
0.512 |
8 |
0 |
0 |
0.000 |
7 |
|
H |
72 |
18 |
12345 |
◊ |
A |
x,y,z |
1_555 |
75 |
26 |
12313 |
649.5 |
-4.8 |
0.513 |
10 |
0 |
0 |
0.000 |
| Average: |
665.2 |
-4.9 |
0.501 |
9 |
0 |
0 |
0.000 |
| 3 |
8 |
|
J |
74 |
18 |
12296 |
◊ |
C |
x,y,z |
1_555 |
80 |
27 |
12294 |
677.0 |
-4.7 |
0.510 |
9 |
0 |
0 |
0.000 |
| 4 |
9 |
|
M |
50 |
20 |
11435 |
◊ |
D |
x,y,z |
1_555 |
64 |
20 |
12287 |
524.5 |
-1.8 |
0.539 |
11 |
0 |
0 |
0.000 |
| 5 |
10 |
|
L |
49 |
19 |
11388 |
◊ |
C |
x-1,y,z |
1_455 |
64 |
20 |
12294 |
506.7 |
-1.9 |
0.519 |
9 |
0 |
0 |
0.000 |
| 6 |
11 |
|
C |
54 |
12 |
12294 |
◊ |
B |
x,y,z |
1_555 |
55 |
12 |
12336 |
386.8 |
-7.5 |
0.114 |
1 |
0 |
0 |
0.000 |
12 |
|
A |
52 |
12 |
12313 |
◊ |
D |
-x-1,y-1/2,-z+1 |
2_446 |
54 |
12 |
12287 |
367.3 |
-7.3 |
0.123 |
0 |
0 |
0 |
0.000 |
| Average: |
377.0 |
-7.4 |
0.118 |
1 |
0 |
0 |
0.000 |
| 7 |
13 |
|
L |
32 |
10 |
11388 |
◊ |
B |
x,y,z |
1_555 |
34 |
13 |
12336 |
342.6 |
-0.9 |
0.545 |
5 |
2 |
0 |
0.063 |
| 8 |
14 |
|
D |
35 |
10 |
12287 |
◊ |
N |
x-1,y,z |
1_455 |
34 |
11 |
11535 |
335.2 |
-3.2 |
0.173 |
1 |
0 |
0 |
0.000 |
| 9 |
15 |
|
C |
32 |
7 |
12294 |
◊ |
O |
-x,y-1/2,-z+2 |
2_547 |
26 |
10 |
11487 |
271.4 |
-1.7 |
0.305 |
3 |
0 |
0 |
0.000 |
| 10 |
16 |
|
A |
28 |
11 |
12313 |
◊ |
M |
-x-1,y-1/2,-z+2 |
2_447 |
26 |
8 |
11435 |
267.9 |
-1.5 |
0.405 |
3 |
0 |
0 |
0.000 |
| 11 |
17 |
|
C |
28 |
8 |
12294 |
◊ |
O |
-x+1,y-1/2,-z+2 |
2_647 |
28 |
11 |
11487 |
249.9 |
-0.3 |
0.568 |
2 |
0 |
0 |
0.000 |
| 12 |
18 |
|
A |
24 |
11 |
12313 |
◊ |
H |
x-1,y,z |
1_455 |
26 |
8 |
12345 |
242.7 |
-0.4 |
0.635 |
2 |
0 |
0 |
0.000 |
| 13 |
19 |
|
J |
25 |
10 |
12296 |
◊ |
I |
x,y,z-1 |
1_554 |
23 |
8 |
12341 |
200.0 |
-1.4 |
0.590 |
2 |
0 |
0 |
0.000 |
| 14 |
20 |
|
M |
24 |
9 |
11435 |
◊ |
N |
x-1,y,z+1 |
1_456 |
14 |
6 |
11535 |
169.6 |
-1.6 |
0.380 |
2 |
0 |
0 |
0.000 |
| 15 |
21 |
|
H |
14 |
5 |
12345 |
◊ |
K |
-x,y-1/2,-z+1 |
2_546 |
19 |
9 |
12415 |
129.5 |
-0.2 |
0.716 |
3 |
0 |
0 |
0.000 |
| 16 |
22 |
|
J |
20 |
7 |
12296 |
◊ |
M |
x,y,z-1 |
1_554 |
15 |
4 |
11435 |
128.7 |
0.1 |
0.695 |
1 |
0 |
0 |
0.000 |
| 17 |
23 |
|
L |
15 |
5 |
11388 |
◊ |
K |
-x,y-1/2,-z+1 |
2_546 |
16 |
5 |
12415 |
127.5 |
0.2 |
0.694 |
2 |
0 |
0 |
0.000 |
| 18 |
24 |
|
L |
14 |
4 |
11388 |
◊ |
O |
-x,y-1/2,-z+2 |
2_547 |
18 |
7 |
11487 |
122.8 |
-1.2 |
0.385 |
1 |
0 |
0 |
0.000 |
| 19 |
25 |
|
B |
15 |
6 |
12336 |
◊ |
I |
x,y,z-1 |
1_554 |
14 |
5 |
12341 |
119.6 |
2.2 |
0.907 |
1 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[NAG]D:701 |
10 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
14 |
6 |
12287 |
103.4 |
2.7 |
0.392 |
0 |
0 |
0 |
0.000 |
27 |
|
[NAG]C:701 |
9 |
1 |
355 |
cf |
C |
x,y,z |
1_555 |
12 |
5 |
12294 |
92.8 |
2.5 |
0.375 |
0 |
0 |
0 |
0.000 |
| Average: |
98.1 |
2.6 |
0.383 |
0 |
0 |
0 |
0.000 |
| 21 |
28 |
|
[NAG]A:701 |
10 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
14 |
6 |
12313 |
102.5 |
2.8 |
0.375 |
0 |
0 |
0 |
0.000 |
| 22 |
29 |
|
N |
8 |
2 |
11535 |
◊ |
I |
x,y,z-1 |
1_554 |
10 |
3 |
12341 |
87.6 |
-0.7 |
0.390 |
1 |
0 |
0 |
0.000 |
| 23 |
30 |
|
[NAG]C:702 |
9 |
1 |
362 |
cf |
[NAG]C:701 |
x,y,z |
1_555 |
6 |
1 |
355 |
66.9 |
1.2 |
0.080 |
0 |
0 |
0 |
0.000 |
| 24 |
31 |
|
I |
6 |
3 |
12341 |
◊ |
N |
x-1,y,z+1 |
1_456 |
6 |
5 |
11535 |
49.6 |
-0.3 |
0.555 |
1 |
0 |
0 |
0.000 |
| 25 |
32 |
|
[ZN]N:301 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
11 |
4 |
11535 |
45.4 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.401 |
33 |
|
[ZN]O:301 |
1 |
1 |
98 |
f |
O |
x,y,z |
1_555 |
10 |
4 |
11487 |
43.4 |
-21.5 |
0.000 |
0 |
0 |
0 |
0.401 |
| Average: |
44.4 |
-22.1 |
0.000 |
0 |
0 |
0 |
0.401 |
| 26 |
34 |
|
[ZN]L:301 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
6 |
3 |
12345 |
43.6 |
-21.6 |
0.000 |
0 |
0 |
0 |
0.300 |
35 |
|
[ZN]M:301 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
5 |
3 |
12341 |
43.3 |
-20.8 |
0.000 |
0 |
0 |
0 |
0.300 |
36 |
|
[ZN]N:302 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
6 |
3 |
12296 |
43.1 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.300 |
| Average: |
43.3 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.300 |
| 27 |
37 |
|
[ZN]L:302 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
9 |
3 |
11388 |
39.6 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.385 |
| 28 |
38 |
|
[ZN]L:302 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
12336 |
37.0 |
-18.2 |
0.000 |
0 |
0 |
0 |
0.334 |
| 29 |
39 |
|
[ZN]M:301 |
1 |
1 |
98 |
◊ |
M |
x,y,z |
1_555 |
5 |
3 |
11435 |
36.2 |
-18.5 |
0.000 |
0 |
0 |
0 |
0.267 |
40 |
|
[ZN]N:302 |
1 |
1 |
98 |
◊ |
N |
x,y,z |
1_555 |
5 |
3 |
11535 |
35.9 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.267 |
41 |
|
[ZN]L:301 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
11388 |
34.7 |
-17.7 |
0.000 |
0 |
0 |
0 |
0.267 |
| Average: |
35.6 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.267 |
| 30 |
42 |
|
[ZN]J:301 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
5 |
2 |
11535 |
34.5 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.218 |
43 |
|
[ZN]H:301 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
5 |
2 |
11388 |
27.6 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.218 |
| Average: |
31.1 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.218 |
| 31 |
44 |
|
[ZN]H:301 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
12345 |
28.6 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.098 |
45 |
|
[ZN]J:301 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
12296 |
28.3 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.098 |
| Average: |
28.5 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.098 |
| 32 |
46 |
|
N |
3 |
1 |
11535 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12294 |
23.7 |
0.2 |
0.622 |
0 |
0 |
0 |
0.000 |
| 33 |
47 |
|
H |
2 |
2 |
12345 |
◊ |
D |
-x-1,y-1/2,-z+1 |
2_446 |
4 |
3 |
12287 |
21.7 |
-0.5 |
0.302 |
0 |
0 |
0 |
0.000 |
48 |
|
J |
2 |
2 |
12296 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
12336 |
12.4 |
-0.3 |
0.437 |
0 |
0 |
0 |
0.000 |
| Average: |
17.1 |
-0.4 |
0.370 |
0 |
0 |
0 |
0.000 |
| 34 |
49 |
|
M |
3 |
1 |
11435 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12336 |
19.2 |
0.3 |
0.711 |
0 |
0 |
0 |
0.000 |
50 |
|
O |
2 |
1 |
11487 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
12287 |
12.3 |
0.1 |
0.564 |
0 |
0 |
0 |
0.000 |
51 |
|
L |
1 |
1 |
11388 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12313 |
10.1 |
0.1 |
0.628 |
0 |
0 |
0 |
0.000 |
| Average: |
13.8 |
0.2 |
0.634 |
0 |
0 |
0 |
0.000 |
| 35 |
52 |
|
L |
4 |
3 |
11388 |
◊ |
K |
-x,y-1/2,-z+2 |
2_547 |
4 |
2 |
12415 |
17.2 |
-0.3 |
0.510 |
0 |
0 |
0 |
0.000 |
| 36 |
53 |
|
I |
2 |
2 |
12341 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
12294 |
12.9 |
-0.3 |
0.399 |
0 |
0 |
0 |
0.000 |
| 37 |
54 |
|
B |
2 |
1 |
12336 |
◊ |
O |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
11487 |
10.2 |
-0.0 |
0.516 |
0 |
0 |
0 |
0.000 |
| 38 |
55 |
|
D |
1 |
1 |
12287 |
◊ |
N |
x-1,y,z+1 |
1_456 |
2 |
1 |
11535 |
3.3 |
-0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
| 39 |
56 |
|
A |
1 |
1 |
12313 |
◊ |
K |
-x-1,y-1/2,-z+1 |
2_446 |
1 |
1 |
12415 |
0.4 |
-0.0 |
0.558 |
0 |
0 |
0 |
0.000 |
|