## |
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 |
71 |
19 |
6449 |
◊ |
C |
-x,-y,z-1/2 |
2_554 |
61 |
17 |
6363 |
609.2 |
-2.9 |
0.403 |
6 |
0 |
0 |
0.000 |
2 |
|
E |
53 |
14 |
6296 |
◊ |
F |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
59 |
16 |
6382 |
548.4 |
-1.7 |
0.425 |
5 |
0 |
0 |
0.000 |
Average: |
578.8 |
-2.3 |
0.414 |
6 |
0 |
0 |
0.000 |
2 |
3 |
|
D |
66 |
18 |
6216 |
◊ |
C |
-x,y,-z+3/2 |
3_556 |
67 |
19 |
6363 |
607.0 |
-4.0 |
0.298 |
7 |
5 |
0 |
0.000 |
4 |
|
F |
64 |
19 |
6382 |
◊ |
E |
-x,y,-z+3/2 |
3_556 |
64 |
19 |
6296 |
594.6 |
-4.5 |
0.264 |
8 |
3 |
0 |
0.000 |
5 |
|
B |
63 |
18 |
6321 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
62 |
18 |
6449 |
593.4 |
-3.8 |
0.327 |
9 |
4 |
0 |
0.000 |
Average: |
598.3 |
-4.1 |
0.296 |
8 |
4 |
0 |
0.000 |
3 |
6 |
|
B |
58 |
16 |
6321 |
◊ |
D |
-x-1/2,-y+1/2,z-1/2 |
6_454 |
56 |
16 |
6216 |
489.4 |
-6.8 |
0.103 |
1 |
0 |
0 |
0.000 |
4 |
7 |
|
D |
39 |
13 |
6216 |
◊ |
D |
-x,y,-z+3/2 |
3_556 |
39 |
13 |
6216 |
309.7 |
-0.2 |
0.573 |
0 |
0 |
0 |
0.000 |
8 |
|
E |
29 |
9 |
6296 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
27 |
8 |
6449 |
260.6 |
-0.5 |
0.517 |
3 |
0 |
0 |
0.000 |
Average: |
285.1 |
-0.3 |
0.545 |
2 |
0 |
0 |
0.000 |
5 |
9 |
|
[IDS]B:304 |
12 |
1 |
362 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
6321 |
131.5 |
1.8 |
0.735 |
8 |
0 |
0 |
0.000 |
10 |
|
[IDS]C:404 |
12 |
1 |
362 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
6363 |
116.1 |
1.0 |
0.645 |
3 |
0 |
0 |
0.000 |
Average: |
123.8 |
1.4 |
0.690 |
6 |
0 |
0 |
0.000 |
6 |
11 |
|
[SGN]B:305 |
10 |
1 |
438 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
6321 |
126.6 |
2.9 |
0.524 |
5 |
0 |
0 |
0.000 |
12 |
|
[SGN]C:405 |
7 |
1 |
425 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
6363 |
106.6 |
1.2 |
0.424 |
4 |
0 |
0 |
0.000 |
13 |
|
[SGN]F:505 |
7 |
1 |
432 |
◊ |
F |
x,y,z |
1_555 |
15 |
5 |
6382 |
93.8 |
1.1 |
0.428 |
4 |
0 |
0 |
0.000 |
Average: |
109.0 |
1.7 |
0.459 |
4 |
0 |
0 |
0.000 |
7 |
14 |
|
[IDS]B:302 |
12 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
6449 |
124.7 |
1.4 |
0.689 |
4 |
0 |
0 |
0.000 |
8 |
15 |
|
[IDS]F:506 |
9 |
1 |
363 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
6216 |
117.9 |
2.8 |
0.810 |
4 |
0 |
0 |
0.000 |
9 |
16 |
|
[IDS]C:402 |
10 |
1 |
369 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
6296 |
117.6 |
1.9 |
0.694 |
6 |
0 |
0 |
0.000 |
10 |
17 |
|
[SGN]C:403 |
9 |
1 |
432 |
f |
E |
x,y,z |
1_555 |
13 |
6 |
6296 |
103.6 |
1.8 |
0.442 |
2 |
0 |
0 |
0.000 |
11 |
18 |
|
[SGN]B:301 |
11 |
1 |
426 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
6321 |
102.1 |
2.0 |
0.296 |
4 |
0 |
0 |
0.000 |
12 |
19 |
|
[SGN]C:401 |
12 |
1 |
447 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
6363 |
101.9 |
2.6 |
0.313 |
2 |
0 |
0 |
0.000 |
13 |
20 |
|
[SGN]B:303 |
9 |
1 |
432 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
6321 |
101.2 |
0.8 |
0.302 |
3 |
0 |
0 |
0.000 |
21 |
|
[SGN]C:403 |
7 |
1 |
432 |
◊ |
C |
x,y,z |
1_555 |
13 |
3 |
6363 |
91.9 |
1.2 |
0.442 |
2 |
0 |
0 |
0.000 |
Average: |
96.5 |
1.0 |
0.372 |
3 |
0 |
0 |
0.000 |
14 |
22 |
|
[SGN]B:303 |
8 |
1 |
432 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
6449 |
99.5 |
1.9 |
0.481 |
4 |
0 |
0 |
0.000 |
15 |
23 |
|
[SGN]F:503 |
7 |
1 |
432 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
6382 |
97.1 |
1.9 |
0.552 |
3 |
0 |
0 |
0.000 |
16 |
24 |
|
[IDS]F:502 |
10 |
1 |
366 |
cf |
[SGN]F:503 |
x,y,z |
1_555 |
13 |
1 |
432 |
96.0 |
0.6 |
0.274 |
1 |
0 |
0 |
0.000 |
17 |
25 |
|
[IDS]F:504 |
8 |
1 |
365 |
◊ |
F |
x,y,z |
1_555 |
14 |
6 |
6382 |
93.8 |
2.0 |
0.769 |
3 |
0 |
0 |
0.000 |
18 |
26 |
|
[IDS]B:304 |
11 |
1 |
362 |
cf |
[SGN]B:305 |
x,y,z |
1_555 |
10 |
1 |
438 |
90.9 |
0.6 |
0.362 |
2 |
0 |
0 |
0.000 |
27 |
|
[IDS]C:404 |
10 |
1 |
362 |
cf |
[SGN]C:405 |
x,y,z |
1_555 |
9 |
1 |
425 |
86.7 |
0.7 |
0.380 |
1 |
0 |
0 |
0.000 |
28 |
|
[IDS]C:402 |
10 |
1 |
369 |
cf |
[SGN]C:403 |
x,y,z |
1_555 |
10 |
1 |
432 |
83.9 |
0.8 |
0.363 |
1 |
0 |
0 |
0.000 |
Average: |
87.2 |
0.7 |
0.368 |
1 |
0 |
0 |
0.000 |
19 |
29 |
|
[IDS]F:504 |
10 |
1 |
365 |
cf |
[SGN]F:505 |
x,y,z |
1_555 |
10 |
1 |
432 |
89.6 |
1.1 |
0.393 |
1 |
0 |
0 |
0.000 |
20 |
30 |
|
[SGN]F:505 |
8 |
1 |
432 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
6216 |
88.7 |
2.4 |
0.421 |
4 |
0 |
0 |
0.000 |
21 |
31 |
|
[IDS]B:302 |
11 |
1 |
360 |
cf |
[SGN]B:303 |
x,y,z |
1_555 |
11 |
1 |
432 |
87.1 |
0.8 |
0.324 |
1 |
0 |
0 |
0.000 |
22 |
32 |
|
[IDS]C:404 |
10 |
1 |
362 |
cf |
[SGN]C:403 |
x,y,z |
1_555 |
9 |
1 |
432 |
81.7 |
1.4 |
0.211 |
0 |
0 |
0 |
0.000 |
33 |
|
[IDS]B:304 |
9 |
1 |
362 |
cf |
[SGN]B:303 |
x,y,z |
1_555 |
10 |
1 |
432 |
78.8 |
1.9 |
0.189 |
0 |
0 |
0 |
0.000 |
Average: |
80.2 |
1.6 |
0.200 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
[IDS]C:402 |
10 |
1 |
369 |
cf |
[SGN]C:401 |
x,y,z |
1_555 |
8 |
1 |
447 |
80.1 |
1.3 |
0.253 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
[IDS]F:504 |
10 |
1 |
365 |
cf |
[SGN]F:503 |
x,y,z |
1_555 |
10 |
1 |
432 |
76.3 |
1.7 |
0.179 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
[IDS]F:506 |
10 |
1 |
363 |
cf |
[SGN]F:505 |
x,y,z |
1_555 |
9 |
1 |
432 |
73.7 |
1.0 |
0.197 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
[IDS]B:302 |
11 |
1 |
360 |
cf |
[SGN]B:301 |
x,y,z |
1_555 |
7 |
1 |
426 |
73.4 |
1.7 |
0.247 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
[IDS]F:502 |
9 |
1 |
366 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
6382 |
68.1 |
-0.8 |
0.501 |
2 |
0 |
0 |
0.000 |
28 |
39 |
|
[SGN]B:301 |
6 |
1 |
426 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
6449 |
61.0 |
0.8 |
0.362 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
[IDS]F:504 |
7 |
1 |
365 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
6216 |
59.2 |
-2.2 |
0.346 |
1 |
0 |
0 |
0.000 |
30 |
41 |
|
[IDS]B:302 |
6 |
1 |
360 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
6321 |
52.1 |
-0.6 |
0.466 |
0 |
0 |
0 |
0.000 |
31 |
42 |
|
[IDS]C:402 |
6 |
1 |
369 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
6363 |
51.7 |
-1.2 |
0.430 |
1 |
0 |
0 |
0.000 |
32 |
43 |
|
[SGN]F:503 |
7 |
1 |
432 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
6216 |
49.1 |
0.9 |
0.338 |
2 |
0 |
0 |
0.000 |
33 |
44 |
|
[SGN]B:305 |
4 |
1 |
438 |
f |
A |
x,y,z |
1_555 |
5 |
1 |
6449 |
44.0 |
1.2 |
0.575 |
0 |
0 |
0 |
0.000 |
34 |
45 |
|
B |
5 |
2 |
6321 |
◊ |
[SGN]F:503 |
-x-1/2,-y+1/2,z-1/2 |
6_454 |
4 |
1 |
432 |
41.2 |
-0.1 |
0.246 |
0 |
0 |
0 |
0.000 |
35 |
46 |
|
[SGN]C:401 |
6 |
1 |
447 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
6296 |
40.0 |
0.2 |
0.299 |
0 |
0 |
0 |
0.000 |
36 |
47 |
|
[IDS]F:506 |
3 |
1 |
363 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
6382 |
38.4 |
-1.5 |
0.381 |
1 |
0 |
0 |
0.000 |
37 |
48 |
|
[SGN]C:405 |
2 |
1 |
425 |
f |
E |
x,y,z |
1_555 |
4 |
1 |
6296 |
21.1 |
0.2 |
0.410 |
0 |
0 |
0 |
0.000 |
38 |
49 |
|
[IDS]F:506 |
3 |
1 |
363 |
f |
[IDS]F:504 |
x,y,z |
1_555 |
2 |
1 |
365 |
15.3 |
-0.1 |
0.412 |
0 |
0 |
0 |
0.000 |
39 |
50 |
|
[IDS]C:404 |
3 |
1 |
362 |
f |
[IDS]C:402 |
x,y,z |
1_555 |
3 |
1 |
369 |
13.4 |
-0.2 |
0.461 |
0 |
0 |
0 |
0.000 |
40 |
51 |
|
[IDS]B:304 |
1 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
6449 |
12.9 |
-0.8 |
0.267 |
0 |
0 |
0 |
0.000 |
41 |
52 |
|
[IDS]F:504 |
2 |
1 |
365 |
f |
[IDS]F:502 |
x,y,z |
1_555 |
2 |
1 |
366 |
8.2 |
0.2 |
0.467 |
0 |
0 |
0 |
0.000 |
42 |
53 |
|
[IDS]C:404 |
1 |
1 |
362 |
f |
E |
x,y,z |
1_555 |
2 |
1 |
6296 |
4.9 |
-0.4 |
0.383 |
0 |
0 |
0 |
0.000 |
43 |
54 |
|
[IDS]C:402 |
1 |
1 |
369 |
◊ |
F |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
6382 |
4.6 |
0.1 |
0.530 |
0 |
0 |
0 |
0.000 |
44 |
55 |
|
[IDS]B:304 |
1 |
1 |
362 |
f |
[IDS]B:302 |
x,y,z |
1_555 |
1 |
1 |
360 |
3.1 |
0.0 |
0.342 |
0 |
0 |
0 |
0.000 |
45 |
56 |
|
E |
1 |
1 |
6296 |
◊ |
D |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
6216 |
2.4 |
-0.0 |
0.550 |
0 |
0 |
0 |
0.000 |
46 |
57 |
|
[SGN]B:303 |
1 |
1 |
432 |
f |
[SGN]B:301 |
x,y,z |
1_555 |
1 |
1 |
426 |
2.2 |
0.0 |
0.229 |
0 |
0 |
0 |
0.000 |
47 |
58 |
|
[SGN]B:305 |
1 |
1 |
438 |
f |
[SGN]B:303 |
x,y,z |
1_555 |
1 |
1 |
432 |
1.9 |
0.0 |
0.235 |
0 |
0 |
0 |
0.000 |
59 |
|
[SGN]F:505 |
1 |
1 |
432 |
f |
[SGN]F:503 |
x,y,z |
1_555 |
1 |
1 |
432 |
1.4 |
0.0 |
0.235 |
0 |
0 |
0 |
0.000 |
60 |
|
[SGN]C:405 |
1 |
1 |
425 |
f |
[SGN]C:403 |
x,y,z |
1_555 |
1 |
1 |
432 |
0.9 |
0.0 |
0.258 |
0 |
0 |
0 |
0.000 |
Average: |
1.4 |
0.0 |
0.243 |
0 |
0 |
0 |
0.000 |
48 |
61 |
|
[SGN]C:403 |
1 |
1 |
432 |
f |
[SGN]C:401 |
x,y,z |
1_555 |
1 |
1 |
447 |
1.5 |
0.0 |
0.229 |
0 |
0 |
0 |
0.000 |
49 |
62 |
|
[IDS]F:502 |
1 |
1 |
366 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
6216 |
1.3 |
-0.0 |
0.411 |
0 |
0 |
0 |
0.000 |
|