| ## |
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 |
15 |
9357 |
x |
A |
-x,y-1/2,-z |
2_545 |
82 |
25 |
9357 |
668.7 |
-5.0 |
0.412 |
10 |
2 |
0 |
0.000 |
2 |
|
B |
65 |
16 |
8848 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
68 |
19 |
8848 |
615.1 |
2.1 |
0.798 |
9 |
4 |
0 |
0.000 |
| Average: |
641.9 |
-1.4 |
0.605 |
10 |
3 |
0 |
0.000 |
| 2 |
3 |
|
A |
48 |
12 |
9357 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
58 |
17 |
9357 |
513.6 |
-10.0 |
0.049 |
4 |
1 |
0 |
0.000 |
4 |
|
B |
45 |
14 |
8848 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
43 |
10 |
8848 |
412.8 |
-9.2 |
0.053 |
2 |
0 |
0 |
0.000 |
| Average: |
463.2 |
-9.6 |
0.051 |
3 |
1 |
0 |
0.000 |
| 3 |
5 |
|
A |
36 |
8 |
9357 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
45 |
12 |
8848 |
350.3 |
-1.3 |
0.534 |
5 |
1 |
0 |
0.000 |
| 4 |
6 |
|
A |
47 |
14 |
9357 |
x |
A |
x-1,y,z |
1_455 |
35 |
5 |
9357 |
321.0 |
-2.5 |
0.447 |
2 |
0 |
0 |
0.000 |
7 |
|
B |
1 |
1 |
8848 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
8848 |
4.1 |
0.0 |
0.544 |
0 |
0 |
0 |
0.000 |
| Average: |
162.6 |
-1.3 |
0.496 |
1 |
0 |
0 |
0.000 |
| 5 |
8 |
|
A |
32 |
11 |
9357 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
24 |
5 |
8848 |
261.0 |
-2.0 |
0.338 |
2 |
1 |
0 |
0.000 |
| 6 |
9 |
|
[CL]A:207 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
9357 |
77.7 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.014 |
| 7 |
10 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
9357 |
74.6 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.014 |
| 8 |
11 |
|
[CL]B:201 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
8848 |
68.3 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.023 |
12 |
|
[CL]A:204 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
9357 |
56.6 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
62.5 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.023 |
| 9 |
13 |
|
[CL]A:201 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
9357 |
67.7 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.012 |
| 10 |
14 |
|
[CL]A:206 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
9357 |
66.8 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.022 |
15 |
|
[CL]B:203 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
8848 |
66.6 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
66.7 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.022 |
| 11 |
16 |
|
[CL]A:208 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
9357 |
64.6 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.011 |
| 12 |
17 |
|
[CL]A:205 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
9357 |
62.8 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.014 |
| 13 |
18 |
|
[CL]B:205 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
8848 |
61.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.020 |
| 14 |
19 |
|
[CL]A:202 |
1 |
1 |
125 |
f |
A |
-x,y-1/2,-z |
2_545 |
11 |
5 |
9357 |
55.4 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.013 |
20 |
|
B |
12 |
5 |
8848 |
f |
[CL]B:202 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
125 |
51.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
53.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.013 |
| 15 |
21 |
|
B |
7 |
4 |
8848 |
◊ |
[NA]B:206 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
125 |
52.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[CL]B:204 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
8848 |
51.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.014 |
| 17 |
23 |
|
[CL]A:202 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
9357 |
44.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
|
[CL]B:202 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
8848 |
37.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
40.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[NA]B:206 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
8848 |
34.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.009 |
| 19 |
26 |
|
B |
6 |
2 |
8848 |
◊ |
[CL]B:204 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
125 |
33.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[NA]B:206 |
1 |
1 |
125 |
◊ |
[CL]B:202 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 21 |
28 |
|
[CL]A:208 |
1 |
1 |
125 |
f |
[CL]A:204 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.006 |
| 22 |
29 |
|
[CL]A:204 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
9357 |
18.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 23 |
30 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
9357 |
12.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
31 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
3 |
1 |
8848 |
11.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
32 |
|
B |
2 |
1 |
8848 |
◊ |
[CL]B:201 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
125 |
4.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
|
[CL]A:204 |
1 |
1 |
125 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
2 |
1 |
9357 |
3.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
4.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
34 |
|
[CL]A:203 |
1 |
1 |
125 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
9357 |
3.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|