| ## |
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 |
115 |
34 |
10854 |
◊ |
C |
x,y,z |
1_555 |
123 |
37 |
10772 |
1186.6 |
-9.1 |
0.262 |
15 |
8 |
0 |
0.312 |
2 |
|
B |
119 |
36 |
10835 |
◊ |
A |
x,y,z |
1_555 |
117 |
36 |
10862 |
1181.2 |
-9.5 |
0.256 |
13 |
8 |
0 |
0.312 |
| Average: |
1183.9 |
-9.3 |
0.259 |
14 |
8 |
0 |
0.312 |
| 2 |
3 |
|
C |
109 |
30 |
10772 |
◊ |
A |
x,y,z |
1_555 |
102 |
30 |
10862 |
984.6 |
-12.8 |
0.092 |
8 |
3 |
0 |
0.254 |
4 |
|
D |
100 |
29 |
10854 |
◊ |
B |
x,y,z |
1_555 |
100 |
29 |
10835 |
953.8 |
-13.0 |
0.065 |
8 |
2 |
0 |
0.254 |
| Average: |
969.2 |
-12.9 |
0.078 |
8 |
3 |
0 |
0.254 |
| 3 |
5 |
|
C |
59 |
16 |
10772 |
◊ |
A |
-x,y-1/2,-z+3/2 |
3_546 |
65 |
16 |
10862 |
554.4 |
-7.8 |
0.145 |
5 |
0 |
0 |
0.008 |
| 4 |
6 |
|
C |
43 |
13 |
10772 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
44 |
14 |
10835 |
417.4 |
0.8 |
0.638 |
5 |
2 |
0 |
0.000 |
| 5 |
7 |
|
B |
39 |
14 |
10835 |
x |
B |
x-1/2,-y+1/2,-z+2 |
4_457 |
45 |
11 |
10835 |
386.2 |
-3.3 |
0.359 |
2 |
3 |
0 |
0.000 |
| 6 |
8 |
|
C |
28 |
8 |
10772 |
◊ |
B |
x,y,z |
1_555 |
28 |
8 |
10835 |
286.3 |
0.4 |
0.701 |
2 |
0 |
0 |
0.009 |
9 |
|
D |
25 |
7 |
10854 |
◊ |
A |
x,y,z |
1_555 |
25 |
7 |
10862 |
262.3 |
-0.2 |
0.623 |
2 |
0 |
0 |
0.009 |
| Average: |
274.3 |
0.1 |
0.662 |
2 |
0 |
0 |
0.009 |
| 7 |
10 |
|
B |
27 |
6 |
10835 |
◊ |
A |
x-1,y,z |
1_455 |
25 |
5 |
10862 |
243.5 |
-1.9 |
0.417 |
1 |
0 |
0 |
0.000 |
| 8 |
11 |
|
C |
20 |
6 |
10772 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
18 |
8 |
10854 |
200.9 |
-0.4 |
0.584 |
3 |
1 |
0 |
0.000 |
| 9 |
12 |
|
C |
18 |
6 |
10772 |
◊ |
B |
-x,y-1/2,-z+3/2 |
3_546 |
17 |
6 |
10835 |
165.2 |
0.7 |
0.678 |
3 |
2 |
0 |
0.000 |
| 10 |
13 |
|
A |
16 |
4 |
10862 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
17 |
5 |
10854 |
164.7 |
2.1 |
0.851 |
1 |
1 |
0 |
0.000 |
| 11 |
14 |
|
D |
20 |
7 |
10854 |
◊ |
A |
-x,y-1/2,-z+3/2 |
3_546 |
14 |
5 |
10862 |
159.0 |
0.4 |
0.605 |
2 |
2 |
0 |
0.000 |
| 12 |
15 |
|
[CL]A:1001 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
10862 |
68.4 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.414 |
16 |
|
[CL]D:1004 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
10854 |
68.2 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.414 |
17 |
|
[CL]B:1002 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
10835 |
68.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.414 |
18 |
|
[CL]C:1003 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
10772 |
68.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.414 |
| Average: |
68.2 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.414 |
| 13 |
19 |
|
[CL]D:1008 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
10854 |
56.8 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.281 |
20 |
|
[CL]A:1005 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
10862 |
55.7 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.281 |
21 |
|
[CL]B:1006 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
10835 |
55.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.281 |
22 |
|
[CL]C:1007 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
10772 |
55.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.281 |
| Average: |
55.7 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.281 |
| 14 |
23 |
|
[CL]A:1009 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
10772 |
51.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.166 |
24 |
|
[CL]B:1010 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
10835 |
51.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.166 |
25 |
|
[CL]B:1010 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
10854 |
50.4 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.166 |
26 |
|
[CL]A:1009 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
10862 |
49.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.166 |
| Average: |
50.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.166 |
| 15 |
27 |
|
[NA]C:1012 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
10854 |
43.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.147 |
28 |
|
[NA]C:1012 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
10772 |
42.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.147 |
29 |
|
[NA]A:1011 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
10835 |
42.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.147 |
30 |
|
[NA]A:1011 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
10862 |
42.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.147 |
| Average: |
42.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.147 |
| 16 |
31 |
|
[CL]B:1006 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
10854 |
41.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.150 |
32 |
|
[CL]A:1005 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
10772 |
41.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.150 |
33 |
|
[CL]C:1007 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
10862 |
41.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.150 |
34 |
|
[CL]D:1008 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
10835 |
40.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.150 |
| Average: |
41.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.150 |
| 17 |
35 |
|
C |
6 |
3 |
10772 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
10862 |
35.6 |
-0.1 |
0.415 |
0 |
0 |
0 |
0.000 |
| 18 |
36 |
|
D |
4 |
2 |
10854 |
x |
D |
x-1/2,-y-1/2,-z+2 |
4_447 |
6 |
2 |
10854 |
32.5 |
0.7 |
0.757 |
0 |
0 |
0 |
0.000 |
| 19 |
37 |
|
[CL]D:1004 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
10835 |
12.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.033 |
38 |
|
[CL]A:1001 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
10772 |
12.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.033 |
39 |
|
[CL]C:1003 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
10862 |
11.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.033 |
40 |
|
[CL]B:1002 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
10854 |
11.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
11.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.033 |
|