| ## |
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 |
360 |
92 |
20335 |
◊ |
A |
x,y,z |
1_555 |
360 |
90 |
20323 |
3422.5 |
-48.1 |
0.003 |
47 |
5 |
0 |
0.710 |
2 |
|
B |
361 |
92 |
20456 |
◊ |
B |
x,-y+2,-z |
4_575 |
361 |
92 |
20456 |
3409.8 |
-47.9 |
0.003 |
48 |
4 |
0 |
0.710 |
| Average: |
3416.2 |
-48.0 |
0.003 |
48 |
5 |
0 |
0.710 |
| 2 |
3 |
|
A |
60 |
17 |
20323 |
◊ |
C |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
53 |
12 |
20335 |
519.5 |
-5.9 |
0.239 |
4 |
0 |
0 |
0.000 |
| 3 |
4 |
|
C |
51 |
16 |
20335 |
◊ |
C |
-x,y,-z+3/2 |
3_556 |
51 |
16 |
20335 |
405.9 |
0.4 |
0.731 |
2 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[DWS]A:504 |
32 |
1 |
665 |
cf |
A |
x,y,z |
1_555 |
50 |
17 |
20323 |
401.1 |
0.9 |
0.377 |
2 |
0 |
0 |
0.000 |
6 |
|
[DWS]B:503 |
31 |
1 |
652 |
cf |
B |
x,y,z |
1_555 |
52 |
17 |
20456 |
395.1 |
1.0 |
0.388 |
2 |
0 |
0 |
0.000 |
7 |
|
[DWS]C:501 |
33 |
1 |
655 |
cf |
C |
x,y,z |
1_555 |
50 |
17 |
20335 |
394.9 |
1.7 |
0.349 |
2 |
0 |
0 |
0.000 |
| Average: |
397.0 |
1.2 |
0.371 |
2 |
0 |
0 |
0.000 |
| 5 |
8 |
|
B |
30 |
11 |
20456 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
30 |
11 |
20456 |
345.7 |
-4.0 |
0.220 |
2 |
2 |
0 |
0.000 |
| 6 |
9 |
|
A |
36 |
11 |
20323 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
35 |
11 |
20323 |
336.9 |
-1.2 |
0.560 |
0 |
0 |
0 |
0.000 |
| 7 |
10 |
|
C |
31 |
8 |
20335 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
32 |
8 |
20456 |
301.7 |
-3.1 |
0.329 |
6 |
0 |
0 |
0.000 |
| 8 |
11 |
|
B |
26 |
6 |
20456 |
◊ |
C |
-x,-y+2,z-1/2 |
2_574 |
26 |
8 |
20335 |
228.6 |
-1.3 |
0.502 |
2 |
1 |
0 |
0.000 |
| 9 |
12 |
|
C |
20 |
9 |
20335 |
◊ |
B |
x,-y+2,-z+1 |
4_576 |
25 |
11 |
20456 |
182.4 |
2.3 |
0.795 |
3 |
2 |
0 |
0.000 |
| 10 |
13 |
|
B |
23 |
8 |
20456 |
◊ |
A |
x,y,z |
1_555 |
19 |
10 |
20323 |
181.5 |
-0.7 |
0.522 |
1 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[ICT]B:502 |
13 |
1 |
310 |
f |
B |
x,y,z |
1_555 |
24 |
11 |
20456 |
166.9 |
3.9 |
0.585 |
12 |
0 |
0 |
0.062 |
15 |
|
[ICT]A:502 |
13 |
1 |
312 |
f |
A |
x,y,z |
1_555 |
26 |
12 |
20323 |
166.5 |
2.0 |
0.541 |
12 |
0 |
0 |
0.062 |
16 |
|
[ICT]A:505 |
13 |
1 |
312 |
f |
C |
x,y,z |
1_555 |
26 |
11 |
20335 |
166.3 |
2.5 |
0.572 |
12 |
0 |
0 |
0.062 |
| Average: |
166.5 |
2.8 |
0.566 |
12 |
0 |
0 |
0.062 |
| 12 |
17 |
|
B |
18 |
6 |
20456 |
◊ |
A |
x,-y+2,-z+1 |
4_576 |
18 |
7 |
20323 |
143.7 |
1.3 |
0.754 |
2 |
0 |
0 |
0.000 |
| 13 |
18 |
|
A |
13 |
4 |
20323 |
◊ |
A |
x,-y+2,-z+1 |
4_576 |
13 |
4 |
20323 |
88.9 |
-0.6 |
0.537 |
0 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[ICT]A:505 |
8 |
1 |
312 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
20323 |
72.6 |
-0.5 |
0.347 |
2 |
0 |
0 |
0.027 |
20 |
|
[ICT]B:502 |
8 |
1 |
310 |
◊ |
B |
x,-y+2,-z |
4_575 |
7 |
4 |
20456 |
72.5 |
-0.4 |
0.340 |
2 |
0 |
0 |
0.027 |
21 |
|
[ICT]A:502 |
8 |
1 |
312 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
20335 |
71.5 |
0.6 |
0.517 |
2 |
0 |
0 |
0.027 |
| Average: |
72.2 |
-0.1 |
0.401 |
2 |
0 |
0 |
0.027 |
| 15 |
22 |
|
[CA]B:501 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
20456 |
33.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.106 |
23 |
|
[CA]A:503 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
20335 |
33.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.106 |
24 |
|
[CA]A:501 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
20323 |
33.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.106 |
| Average: |
33.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.106 |
| 16 |
25 |
|
A |
6 |
3 |
20323 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
6 |
3 |
20323 |
32.2 |
-0.9 |
0.340 |
0 |
0 |
0 |
0.000 |
| 17 |
26 |
|
[DWS]C:501 |
3 |
1 |
655 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
20323 |
28.0 |
0.9 |
0.687 |
2 |
0 |
0 |
0.000 |
27 |
|
[DWS]B:503 |
3 |
1 |
652 |
◊ |
B |
x,-y+2,-z |
4_575 |
2 |
1 |
20456 |
27.1 |
0.7 |
0.669 |
1 |
0 |
0 |
0.000 |
28 |
|
[DWS]A:504 |
3 |
1 |
665 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
20335 |
26.6 |
0.7 |
0.680 |
1 |
0 |
0 |
0.000 |
| Average: |
27.3 |
0.8 |
0.678 |
1 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[ICT]A:502 |
5 |
1 |
312 |
f |
[CA]A:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
24.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.076 |
30 |
|
[ICT]B:502 |
4 |
1 |
310 |
f |
[CA]B:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
24.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.076 |
31 |
|
[ICT]A:505 |
5 |
1 |
312 |
f |
[CA]A:503 |
x,y,z |
1_555 |
1 |
1 |
85 |
24.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.076 |
| Average: |
24.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.076 |
| 19 |
32 |
|
[CA]A:501 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
20335 |
20.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.060 |
33 |
|
[CA]B:501 |
1 |
1 |
85 |
◊ |
B |
x,-y+2,-z |
4_575 |
3 |
2 |
20456 |
20.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.060 |
34 |
|
[CA]A:503 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
20323 |
20.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.060 |
| Average: |
20.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.060 |
| 20 |
35 |
|
C |
3 |
1 |
20335 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
20456 |
16.5 |
0.2 |
0.648 |
0 |
0 |
0 |
0.000 |
| 21 |
36 |
|
B |
2 |
2 |
20456 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
2 |
2 |
20323 |
2.0 |
-0.1 |
0.575 |
0 |
0 |
0 |
0.000 |
|