| ## |
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 |
302 |
90 |
15818 |
◊ |
C |
x,y,z |
1_555 |
308 |
90 |
16115 |
3079.0 |
-20.6 |
0.189 |
32 |
9 |
0 |
0.638 |
2 |
|
B |
297 |
89 |
15750 |
◊ |
A |
x,y,z |
1_555 |
301 |
89 |
16352 |
3032.1 |
-19.4 |
0.190 |
29 |
8 |
0 |
0.638 |
| Average: |
3055.6 |
-20.0 |
0.189 |
31 |
9 |
0 |
0.638 |
| 2 |
3 |
|
A |
44 |
12 |
16352 |
◊ |
B |
x-1,y,z |
1_455 |
42 |
11 |
15750 |
384.7 |
1.6 |
0.745 |
2 |
5 |
0 |
0.000 |
| 3 |
4 |
|
C |
39 |
10 |
16115 |
◊ |
D |
x-1,y,z |
1_455 |
43 |
11 |
15818 |
366.6 |
4.0 |
0.899 |
2 |
1 |
0 |
0.000 |
| 4 |
5 |
|
C |
39 |
10 |
16115 |
◊ |
A |
x,y,z |
1_555 |
37 |
10 |
16352 |
318.7 |
1.3 |
0.748 |
2 |
2 |
0 |
0.000 |
6 |
|
D |
35 |
11 |
15818 |
◊ |
B |
x,y,z-1 |
1_554 |
34 |
10 |
15750 |
291.8 |
1.0 |
0.750 |
4 |
4 |
0 |
0.000 |
| Average: |
305.3 |
1.2 |
0.749 |
3 |
3 |
0 |
0.000 |
| 5 |
7 |
|
[PLP]C:401 |
15 |
1 |
394 |
cf |
C |
x,y,z |
1_555 |
33 |
14 |
16115 |
248.8 |
3.6 |
0.703 |
6 |
0 |
0 |
0.003 |
8 |
|
[PLP]B:401 |
15 |
1 |
389 |
cf |
B |
x,y,z |
1_555 |
32 |
13 |
15750 |
243.1 |
3.8 |
0.711 |
7 |
0 |
0 |
0.003 |
9 |
|
[PLP]D:401 |
15 |
1 |
392 |
cf |
D |
x,y,z |
1_555 |
32 |
14 |
15818 |
241.0 |
3.3 |
0.685 |
6 |
0 |
0 |
0.003 |
10 |
|
[PLP]A:401 |
15 |
1 |
393 |
cf |
A |
x,y,z |
1_555 |
33 |
14 |
16352 |
240.2 |
3.2 |
0.685 |
8 |
0 |
0 |
0.003 |
| Average: |
243.3 |
3.5 |
0.696 |
7 |
0 |
0 |
0.003 |
| 6 |
11 |
|
A |
24 |
7 |
16352 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
21 |
8 |
15818 |
219.6 |
-1.4 |
0.418 |
1 |
0 |
0 |
0.000 |
| 7 |
12 |
|
A |
26 |
9 |
16352 |
◊ |
D |
x-1,y,z |
1_455 |
18 |
5 |
15818 |
165.4 |
3.7 |
0.912 |
2 |
6 |
0 |
0.000 |
13 |
|
C |
12 |
6 |
16115 |
◊ |
B |
x-1,y,z-1 |
1_454 |
18 |
5 |
15750 |
133.9 |
3.4 |
0.937 |
2 |
4 |
0 |
0.000 |
| Average: |
149.7 |
3.5 |
0.925 |
2 |
5 |
0 |
0.000 |
| 8 |
14 |
|
A |
14 |
5 |
16352 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
3 |
15750 |
126.2 |
-0.1 |
0.496 |
1 |
4 |
0 |
0.000 |
| 9 |
15 |
|
C |
13 |
3 |
16115 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
15 |
5 |
15818 |
108.5 |
-0.4 |
0.478 |
1 |
2 |
0 |
0.000 |
| 10 |
16 |
|
D |
8 |
3 |
15818 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
10 |
4 |
16115 |
70.1 |
0.2 |
0.614 |
0 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
16352 |
66.2 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.424 |
18 |
|
[CL]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
15750 |
64.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.424 |
19 |
|
[CL]D:402 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
7 |
15818 |
64.1 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.424 |
20 |
|
[CL]C:402 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
8 |
16115 |
63.5 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.424 |
| Average: |
64.7 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.424 |
| 12 |
21 |
|
B |
7 |
2 |
15750 |
x |
B |
x-1,y,z |
1_455 |
9 |
3 |
15750 |
61.0 |
0.7 |
0.767 |
0 |
3 |
0 |
0.000 |
22 |
|
A |
7 |
3 |
16352 |
x |
A |
x-1,y,z |
1_455 |
3 |
1 |
16352 |
41.3 |
1.2 |
0.845 |
2 |
4 |
0 |
0.000 |
| Average: |
51.2 |
1.0 |
0.806 |
1 |
4 |
0 |
0.000 |
| 13 |
23 |
|
[PLP]A:401 |
6 |
1 |
393 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
15750 |
56.6 |
1.1 |
0.633 |
0 |
0 |
0 |
0.000 |
24 |
|
[PLP]D:401 |
6 |
1 |
392 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
16115 |
56.5 |
1.2 |
0.639 |
0 |
0 |
0 |
0.000 |
25 |
|
[PLP]B:401 |
6 |
1 |
389 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
16352 |
55.6 |
0.8 |
0.591 |
0 |
0 |
0 |
0.000 |
26 |
|
[PLP]C:401 |
6 |
1 |
394 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
15818 |
55.3 |
1.3 |
0.671 |
0 |
0 |
0 |
0.000 |
| Average: |
56.0 |
1.1 |
0.634 |
0 |
0 |
0 |
0.000 |
| 14 |
27 |
|
A |
9 |
5 |
16352 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
6 |
4 |
16115 |
42.5 |
1.0 |
0.758 |
1 |
0 |
0 |
0.000 |
| 15 |
28 |
|
D |
6 |
4 |
15818 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
3 |
2 |
15818 |
41.1 |
0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
| 16 |
29 |
|
B |
5 |
3 |
15750 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
3 |
16352 |
34.1 |
0.0 |
0.567 |
0 |
0 |
0 |
0.000 |
| 17 |
30 |
|
B |
3 |
2 |
15750 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
3 |
15750 |
15.7 |
0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
| 18 |
31 |
|
B |
2 |
1 |
15750 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
15818 |
14.2 |
0.4 |
0.842 |
0 |
0 |
0 |
0.000 |
| 19 |
32 |
|
[CL]A:402 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15750 |
9.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.017 |
33 |
|
[CL]C:402 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
15818 |
9.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.017 |
34 |
|
[CL]D:402 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16115 |
7.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.017 |
35 |
|
[CL]B:402 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16352 |
6.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
8.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.017 |
| 20 |
36 |
|
C |
2 |
1 |
16115 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
16115 |
6.4 |
-0.0 |
0.582 |
0 |
0 |
0 |
0.000 |
| 21 |
37 |
|
A |
2 |
2 |
16352 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
15818 |
6.2 |
-0.1 |
0.378 |
0 |
0 |
0 |
0.000 |
|