| ## |
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 |
123 |
34 |
15691 |
◊ |
C |
x,y,z |
1_555 |
121 |
31 |
15464 |
1150.0 |
-17.5 |
0.042 |
10 |
8 |
0 |
0.210 |
2 |
|
B |
126 |
34 |
15616 |
◊ |
A |
x,y,z |
1_555 |
117 |
31 |
15609 |
1142.3 |
-18.0 |
0.022 |
11 |
7 |
0 |
0.210 |
| Average: |
1146.1 |
-17.7 |
0.032 |
11 |
8 |
0 |
0.210 |
| 2 |
3 |
|
D |
69 |
21 |
15691 |
◊ |
B |
x,y,z |
1_555 |
70 |
20 |
15616 |
656.2 |
-11.4 |
0.064 |
2 |
0 |
0 |
0.010 |
| 3 |
4 |
|
[HX7]D:402 |
29 |
1 |
757 |
f |
D |
x,y,z |
1_555 |
55 |
19 |
15691 |
367.7 |
-13.4 |
0.470 |
4 |
0 |
0 |
0.133 |
5 |
|
[HX7]B:503 |
29 |
1 |
760 |
f |
B |
x,y,z |
1_555 |
51 |
19 |
15616 |
363.0 |
-12.9 |
0.408 |
5 |
0 |
0 |
0.133 |
| Average: |
365.4 |
-13.2 |
0.439 |
5 |
0 |
0 |
0.133 |
| 4 |
6 |
|
C |
28 |
9 |
15464 |
x |
C |
x,y-1,z |
1_545 |
40 |
9 |
15464 |
362.9 |
0.5 |
0.646 |
5 |
2 |
0 |
0.000 |
| 5 |
7 |
|
[HX7]B:503 |
27 |
1 |
760 |
◊ |
A |
x,y,z |
1_555 |
44 |
9 |
15609 |
306.6 |
-11.7 |
0.497 |
0 |
0 |
0 |
0.103 |
8 |
|
[HX7]D:402 |
26 |
1 |
757 |
◊ |
C |
x,y,z |
1_555 |
44 |
9 |
15464 |
299.0 |
-11.0 |
0.520 |
0 |
0 |
0 |
0.103 |
| Average: |
302.8 |
-11.4 |
0.508 |
0 |
0 |
0 |
0.103 |
| 6 |
9 |
|
[NAG]C:501 |
11 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
19 |
8 |
15464 |
142.8 |
4.1 |
0.473 |
1 |
0 |
0 |
0.000 |
| 7 |
10 |
|
[NAG]A:502 |
11 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
21 |
9 |
15609 |
139.4 |
4.1 |
0.478 |
0 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[NAG]D:401 |
9 |
1 |
353 |
cf |
D |
x,y,z |
1_555 |
12 |
4 |
15691 |
112.0 |
3.0 |
0.524 |
1 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[NAG]C:502 |
10 |
1 |
355 |
cf |
C |
x,y,z |
1_555 |
15 |
7 |
15464 |
110.3 |
2.3 |
0.347 |
0 |
0 |
0 |
0.000 |
13 |
|
[NAG]A:501 |
10 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
14 |
6 |
15609 |
109.6 |
2.4 |
0.341 |
1 |
0 |
0 |
0.000 |
| Average: |
109.9 |
2.4 |
0.344 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[NAG]B:501 |
9 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
13 |
4 |
15616 |
77.1 |
2.3 |
0.374 |
0 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[NA]A:507 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
21 |
12 |
15609 |
77.1 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.105 |
16 |
|
[NA]C:503 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
17 |
10 |
15464 |
76.1 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.105 |
| Average: |
76.6 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.105 |
| 12 |
17 |
|
[CL]D:403 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
15691 |
75.8 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.109 |
18 |
|
[CL]B:504 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
15616 |
72.9 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.109 |
| Average: |
74.3 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.109 |
| 13 |
19 |
|
[CL]C:505 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
15464 |
71.9 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.089 |
| 14 |
20 |
|
[CL]B:507 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
15616 |
71.4 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.095 |
21 |
|
[CL]D:406 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
15691 |
69.0 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.095 |
| Average: |
70.2 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.095 |
| 15 |
22 |
|
A |
9 |
3 |
15609 |
◊ |
B |
x,y-1,z |
1_545 |
9 |
4 |
15616 |
71.1 |
-1.0 |
0.369 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[NAG]B:502 |
8 |
1 |
347 |
cf |
B |
x,y,z |
1_555 |
7 |
3 |
15616 |
70.3 |
2.1 |
0.390 |
1 |
0 |
0 |
0.000 |
| 17 |
24 |
|
[NAG]A:503 |
9 |
1 |
364 |
cf |
[NAG]A:502 |
x,y,z |
1_555 |
7 |
1 |
362 |
69.9 |
1.5 |
0.077 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[CL]B:506 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
15616 |
69.3 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.088 |
| 19 |
26 |
|
[CL]A:509 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
15609 |
67.9 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.103 |
| 20 |
27 |
|
[CL]C:504 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
15464 |
67.7 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.086 |
28 |
|
[CL]A:508 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
15609 |
61.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.086 |
| Average: |
64.5 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.086 |
| 21 |
29 |
|
[CL]B:505 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
15616 |
66.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.084 |
30 |
|
[CL]D:404 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
15691 |
63.8 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.084 |
| Average: |
65.2 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.084 |
| 22 |
31 |
|
[BMA]A:504 |
6 |
1 |
294 |
cf |
[NAG]A:503 |
x,y,z |
1_555 |
5 |
1 |
364 |
63.1 |
1.3 |
0.123 |
1 |
0 |
0 |
0.000 |
| 23 |
32 |
|
[MAN]A:506 |
6 |
1 |
291 |
cf |
[BMA]A:504 |
x,y,z |
1_555 |
5 |
1 |
294 |
56.9 |
2.5 |
0.237 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
[CL]D:405 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
15691 |
56.8 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.070 |
| 25 |
34 |
|
[MAN]A:505 |
6 |
1 |
292 |
f |
[NAG]A:503 |
x,y,z |
1_555 |
5 |
1 |
364 |
56.6 |
1.7 |
0.175 |
0 |
0 |
0 |
0.000 |
| 26 |
35 |
|
[MAN]A:505 |
6 |
1 |
292 |
cf |
[BMA]A:504 |
x,y,z |
1_555 |
3 |
1 |
294 |
52.2 |
2.2 |
0.270 |
0 |
0 |
0 |
0.000 |
| 27 |
36 |
|
[CL]C:504 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
15691 |
30.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.032 |
37 |
|
[CL]A:508 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
15616 |
28.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
29.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.032 |
| 28 |
38 |
|
[CL]B:505 |
1 |
1 |
125 |
f |
[NAG]B:501 |
x,y,z |
1_555 |
4 |
1 |
360 |
29.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.020 |
| 29 |
39 |
|
B |
3 |
1 |
15616 |
x |
B |
x,y-1,z |
1_545 |
2 |
1 |
15616 |
21.4 |
-0.5 |
0.249 |
0 |
0 |
0 |
0.000 |
| 30 |
40 |
|
[NAG]A:503 |
1 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
15609 |
20.6 |
0.4 |
0.394 |
0 |
0 |
0 |
0.000 |
| 31 |
41 |
|
[CL]A:508 |
1 |
1 |
125 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
1 |
15616 |
19.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 32 |
42 |
|
[CL]B:506 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
15609 |
13.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.014 |
| 33 |
43 |
|
[MAN]A:506 |
1 |
1 |
291 |
f |
[NAG]A:503 |
x,y,z |
1_555 |
1 |
1 |
364 |
4.2 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| 34 |
44 |
|
[CL]D:406 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15464 |
3.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
|