## |
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 |
|
C |
358 |
88 |
20029 |
◊ |
C |
x,-y+2,-z |
4_575 |
358 |
88 |
20029 |
3415.1 |
-47.7 |
0.005 |
50 |
4 |
0 |
0.685 |
2 |
|
B |
358 |
89 |
20380 |
◊ |
A |
x,y,z |
1_555 |
353 |
91 |
20252 |
3413.3 |
-48.4 |
0.004 |
51 |
5 |
0 |
0.685 |
Average: |
3414.2 |
-48.1 |
0.004 |
51 |
5 |
0 |
0.685 |
2 |
3 |
|
B |
61 |
18 |
20380 |
◊ |
A |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
53 |
11 |
20252 |
525.5 |
-6.1 |
0.249 |
3 |
0 |
0 |
0.000 |
3 |
4 |
|
[DWG]A:501 |
30 |
1 |
623 |
f |
A |
x,y,z |
1_555 |
55 |
17 |
20252 |
405.0 |
-1.5 |
0.476 |
1 |
0 |
0 |
0.062 |
5 |
|
[DWG]C:503 |
30 |
1 |
627 |
f |
C |
x,y,z |
1_555 |
53 |
18 |
20029 |
403.1 |
-3.3 |
0.271 |
0 |
0 |
0 |
0.062 |
6 |
|
[DWG]B:502 |
30 |
1 |
620 |
cf |
B |
x,y,z |
1_555 |
53 |
18 |
20380 |
392.6 |
-1.6 |
0.462 |
1 |
0 |
0 |
0.062 |
Average: |
400.2 |
-2.2 |
0.403 |
1 |
0 |
0 |
0.062 |
4 |
7 |
|
C |
39 |
12 |
20029 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
38 |
12 |
20029 |
395.3 |
-3.9 |
0.317 |
4 |
2 |
0 |
0.000 |
5 |
8 |
|
A |
49 |
15 |
20252 |
◊ |
A |
-x,y,-z+3/2 |
3_556 |
49 |
15 |
20252 |
383.4 |
-3.0 |
0.466 |
3 |
0 |
0 |
0.000 |
6 |
9 |
|
C |
33 |
9 |
20029 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
32 |
8 |
20252 |
306.3 |
-2.3 |
0.441 |
6 |
0 |
0 |
0.000 |
7 |
10 |
|
C |
34 |
11 |
20029 |
◊ |
A |
x,-y+2,-z+1 |
4_576 |
26 |
10 |
20252 |
259.2 |
0.1 |
0.648 |
5 |
1 |
0 |
0.000 |
8 |
11 |
|
C |
25 |
8 |
20029 |
◊ |
B |
x,-y+2,-z+1 |
4_576 |
24 |
9 |
20380 |
223.3 |
1.5 |
0.817 |
4 |
0 |
0 |
0.000 |
9 |
12 |
|
[ICT]B:505 |
13 |
1 |
314 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
20252 |
171.6 |
3.7 |
0.573 |
11 |
0 |
0 |
0.023 |
13 |
|
[ICT]C:502 |
13 |
1 |
312 |
f |
C |
x,y,z |
1_555 |
26 |
12 |
20029 |
168.8 |
3.7 |
0.585 |
11 |
0 |
0 |
0.023 |
Average: |
170.2 |
3.7 |
0.579 |
11 |
0 |
0 |
0.023 |
10 |
14 |
|
[ICT]B:501 |
13 |
1 |
312 |
f |
B |
x,y,z |
1_555 |
28 |
12 |
20380 |
170.6 |
3.2 |
0.583 |
12 |
0 |
0 |
0.020 |
11 |
15 |
|
C |
19 |
7 |
20029 |
◊ |
B |
x,y,z |
1_555 |
19 |
9 |
20380 |
150.8 |
-0.9 |
0.505 |
1 |
0 |
0 |
0.000 |
12 |
16 |
|
B |
13 |
5 |
20380 |
◊ |
B |
x,-y+2,-z+1 |
4_576 |
13 |
5 |
20380 |
104.0 |
1.4 |
0.830 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
C |
15 |
6 |
20029 |
◊ |
A |
-x,-y+2,z-1/2 |
2_574 |
10 |
4 |
20252 |
102.3 |
0.2 |
0.670 |
1 |
1 |
0 |
0.000 |
14 |
18 |
|
B |
18 |
9 |
20380 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
18 |
9 |
20380 |
71.7 |
0.4 |
0.715 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
[ICT]B:501 |
8 |
1 |
312 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
20252 |
71.0 |
0.5 |
0.495 |
2 |
0 |
0 |
0.028 |
20 |
|
[ICT]C:502 |
8 |
1 |
312 |
◊ |
C |
x,-y+2,-z |
4_575 |
7 |
4 |
20029 |
70.9 |
-0.6 |
0.309 |
2 |
0 |
0 |
0.028 |
Average: |
70.9 |
-0.1 |
0.402 |
2 |
0 |
0 |
0.028 |
16 |
21 |
|
[ICT]B:505 |
7 |
1 |
314 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
20380 |
67.6 |
-0.4 |
0.336 |
3 |
0 |
0 |
0.016 |
17 |
22 |
|
[CA]B:503 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
20380 |
33.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.102 |
23 |
|
[CA]C:501 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
20029 |
32.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.102 |
24 |
|
[CA]B:504 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
20252 |
32.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.102 |
Average: |
32.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.102 |
18 |
25 |
|
[CA]B:504 |
1 |
1 |
85 |
f |
[ICT]B:505 |
x,y,z |
1_555 |
4 |
1 |
314 |
24.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.068 |
26 |
|
[CA]C:501 |
1 |
1 |
85 |
f |
[ICT]C:502 |
x,y,z |
1_555 |
3 |
1 |
312 |
24.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.068 |
27 |
|
[CA]B:503 |
1 |
1 |
85 |
f |
[ICT]B:501 |
x,y,z |
1_555 |
4 |
1 |
312 |
23.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.068 |
Average: |
24.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.068 |
19 |
28 |
|
[CA]B:503 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
20252 |
20.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.057 |
29 |
|
[CA]B:504 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
20380 |
19.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.057 |
30 |
|
[CA]C:501 |
1 |
1 |
85 |
◊ |
C |
x,-y+2,-z |
4_575 |
4 |
2 |
20029 |
19.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.057 |
Average: |
20.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.057 |
20 |
31 |
|
[DWG]C:503 |
2 |
1 |
627 |
◊ |
C |
x,-y+2,-z |
4_575 |
2 |
1 |
20029 |
13.5 |
-0.4 |
0.375 |
0 |
0 |
0 |
0.008 |
32 |
|
[DWG]B:502 |
1 |
1 |
620 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
20252 |
4.5 |
0.0 |
0.615 |
0 |
0 |
0 |
0.008 |
33 |
|
[DWG]A:501 |
1 |
1 |
623 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20380 |
1.1 |
-0.0 |
0.547 |
0 |
0 |
0 |
0.008 |
Average: |
6.3 |
-0.1 |
0.512 |
0 |
0 |
0 |
0.008 |
21 |
34 |
|
C |
2 |
2 |
20029 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
20252 |
7.5 |
0.2 |
0.731 |
0 |
0 |
0 |
0.000 |
22 |
35 |
|
C |
2 |
2 |
20029 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
2 |
2 |
20380 |
5.7 |
-0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
36 |
|
C |
1 |
1 |
20029 |
◊ |
A |
-x+1,-y+2,z-1/2 |
2_674 |
1 |
1 |
20252 |
3.3 |
-0.0 |
0.548 |
0 |
0 |
0 |
0.000 |
Average: |
4.5 |
-0.0 |
0.564 |
0 |
0 |
0 |
0.000 |
|