## |
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 |
117 |
34 |
15913 |
◊ |
A |
x,y,z |
1_555 |
140 |
44 |
15730 |
1253.0 |
-10.0 |
0.230 |
14 |
5 |
0 |
0.614 |
2 |
|
B |
137 |
44 |
15407 |
◊ |
A |
x,y,z |
1_555 |
111 |
30 |
15730 |
1194.9 |
-10.5 |
0.234 |
10 |
4 |
0 |
0.614 |
3 |
|
F |
128 |
41 |
15502 |
◊ |
E |
x,y,z |
1_555 |
107 |
28 |
15344 |
1100.1 |
-10.9 |
0.215 |
11 |
4 |
0 |
0.614 |
4 |
|
D |
123 |
42 |
15913 |
◊ |
B |
x,y,z |
1_555 |
101 |
27 |
15407 |
1078.2 |
-10.5 |
0.195 |
10 |
4 |
0 |
0.614 |
Average: |
1156.6 |
-10.5 |
0.219 |
11 |
4 |
0 |
0.614 |
2 |
5 |
|
D |
71 |
19 |
15913 |
◊ |
C |
x,y,z |
1_555 |
67 |
19 |
15317 |
604.7 |
-6.5 |
0.313 |
7 |
0 |
0 |
0.471 |
6 |
|
E |
70 |
18 |
15344 |
◊ |
D |
x,y,z |
1_555 |
70 |
19 |
15913 |
594.0 |
-6.9 |
0.298 |
6 |
0 |
0 |
0.471 |
7 |
|
F |
69 |
19 |
15502 |
◊ |
B |
x,y,z |
1_555 |
68 |
17 |
15407 |
576.4 |
-7.0 |
0.253 |
6 |
0 |
0 |
0.471 |
8 |
|
E |
62 |
17 |
15344 |
◊ |
C |
x,y,z |
1_555 |
71 |
19 |
15317 |
569.8 |
-6.9 |
0.271 |
6 |
0 |
0 |
0.471 |
Average: |
586.2 |
-6.8 |
0.284 |
6 |
0 |
0 |
0.471 |
3 |
9 |
|
[B97]C:401 |
27 |
1 |
566 |
f |
C |
x,y,z |
1_555 |
57 |
23 |
15317 |
398.5 |
1.4 |
0.465 |
2 |
0 |
0 |
0.000 |
10 |
|
[B97]D:401 |
27 |
1 |
569 |
f |
D |
x,y,z |
1_555 |
57 |
23 |
15913 |
396.0 |
1.2 |
0.459 |
2 |
0 |
0 |
0.000 |
11 |
|
[B97]B:401 |
27 |
1 |
565 |
f |
B |
x,y,z |
1_555 |
55 |
22 |
15407 |
394.4 |
1.3 |
0.441 |
2 |
0 |
0 |
0.000 |
12 |
|
[B97]F:401 |
27 |
1 |
568 |
f |
F |
x,y,z |
1_555 |
54 |
22 |
15502 |
393.7 |
1.2 |
0.429 |
2 |
0 |
0 |
0.000 |
13 |
|
[B97]E:401 |
27 |
1 |
564 |
f |
E |
x,y,z |
1_555 |
56 |
23 |
15344 |
392.6 |
1.6 |
0.484 |
2 |
0 |
0 |
0.000 |
14 |
|
[B97]A:401 |
27 |
1 |
565 |
f |
A |
x,y,z |
1_555 |
58 |
24 |
15730 |
388.0 |
1.4 |
0.464 |
2 |
0 |
0 |
0.000 |
Average: |
393.8 |
1.4 |
0.457 |
2 |
0 |
0 |
0.000 |
4 |
15 |
|
[MW8]C:403 |
30 |
1 |
718 |
f |
C |
x,y,z |
1_555 |
48 |
17 |
15317 |
350.3 |
0.2 |
0.357 |
0 |
0 |
0 |
0.013 |
16 |
|
[MW8]A:403 |
29 |
1 |
725 |
f |
A |
x,y,z |
1_555 |
46 |
17 |
15730 |
349.2 |
0.4 |
0.345 |
0 |
0 |
0 |
0.013 |
17 |
|
[MW8]B:403 |
28 |
1 |
721 |
f |
B |
x,y,z |
1_555 |
44 |
17 |
15407 |
342.7 |
0.0 |
0.334 |
0 |
0 |
0 |
0.013 |
18 |
|
[MW8]F:403 |
33 |
1 |
722 |
f |
F |
x,y,z |
1_555 |
47 |
17 |
15502 |
342.5 |
-0.5 |
0.296 |
0 |
0 |
0 |
0.013 |
19 |
|
[MW8]D:403 |
31 |
1 |
721 |
f |
D |
x,y,z |
1_555 |
45 |
17 |
15913 |
332.1 |
-0.3 |
0.305 |
0 |
0 |
0 |
0.013 |
Average: |
343.4 |
-0.0 |
0.327 |
0 |
0 |
0 |
0.013 |
5 |
20 |
|
[MW8]E:403 |
31 |
1 |
720 |
◊ |
E |
x,y,z |
1_555 |
43 |
16 |
15344 |
345.0 |
0.8 |
0.385 |
0 |
0 |
0 |
0.000 |
6 |
21 |
|
F |
32 |
11 |
15502 |
◊ |
D |
x,y,z |
1_555 |
27 |
12 |
15913 |
331.0 |
0.2 |
0.701 |
1 |
0 |
0 |
0.012 |
22 |
|
C |
34 |
11 |
15317 |
◊ |
A |
x,y,z |
1_555 |
30 |
11 |
15730 |
295.2 |
-1.8 |
0.504 |
0 |
0 |
0 |
0.012 |
Average: |
313.1 |
-0.8 |
0.602 |
1 |
0 |
0 |
0.012 |
7 |
23 |
|
E |
40 |
9 |
15344 |
◊ |
C |
-x,-y+2,z-1/2 |
2_574 |
34 |
10 |
15317 |
299.3 |
-2.8 |
0.374 |
2 |
0 |
0 |
0.000 |
8 |
24 |
|
B |
33 |
7 |
15407 |
◊ |
D |
-x-1/2,-y+5/2,z-1/2 |
6_474 |
30 |
6 |
15913 |
271.2 |
0.3 |
0.679 |
3 |
2 |
0 |
0.000 |
9 |
25 |
|
[MW8]E:403 |
16 |
1 |
720 |
f |
C |
-x,-y+2,z-1/2 |
2_574 |
14 |
4 |
15317 |
113.0 |
-1.3 |
0.252 |
0 |
0 |
0 |
0.022 |
10 |
26 |
|
[MW8]B:403 |
6 |
1 |
721 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
15730 |
82.2 |
1.5 |
0.678 |
2 |
0 |
0 |
0.000 |
27 |
|
[MW8]D:403 |
8 |
1 |
721 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
15407 |
80.9 |
1.5 |
0.628 |
2 |
0 |
0 |
0.000 |
28 |
|
[MW8]A:403 |
7 |
1 |
725 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
15913 |
78.8 |
1.5 |
0.651 |
2 |
0 |
0 |
0.000 |
29 |
|
[MW8]F:403 |
7 |
1 |
722 |
◊ |
E |
x,y,z |
1_555 |
11 |
2 |
15344 |
78.7 |
1.5 |
0.658 |
2 |
0 |
0 |
0.000 |
Average: |
80.2 |
1.5 |
0.654 |
2 |
0 |
0 |
0.000 |
11 |
30 |
|
[CL]D:402 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
15913 |
73.0 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.584 |
31 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
15730 |
72.1 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.584 |
32 |
|
[CL]C:402 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
15317 |
71.5 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.584 |
33 |
|
[CL]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
15407 |
71.4 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.584 |
34 |
|
[CL]E:402 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
13 |
7 |
15344 |
70.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.584 |
35 |
|
[CL]F:402 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
15502 |
70.6 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.584 |
Average: |
71.6 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.584 |
12 |
36 |
|
F |
8 |
1 |
15502 |
◊ |
A |
-x-1/2,-y+5/2,z-1/2 |
6_474 |
11 |
5 |
15730 |
70.9 |
1.2 |
0.808 |
1 |
0 |
0 |
0.000 |
13 |
37 |
|
F |
2 |
1 |
15502 |
◊ |
B |
-x-1/2,-y+5/2,z-1/2 |
6_474 |
7 |
5 |
15407 |
34.3 |
0.6 |
0.791 |
0 |
0 |
0 |
0.000 |
14 |
38 |
|
[CL]B:402 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15730 |
8.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.014 |
39 |
|
[CL]A:402 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
15913 |
3.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
6.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.014 |
15 |
40 |
|
[CL]A:402 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15317 |
6.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.004 |
41 |
|
[CL]F:402 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
15913 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
3.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
|