## |
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 |
295 |
79 |
16425 |
◊ |
C |
x,y,z |
1_555 |
277 |
66 |
17805 |
2674.5 |
-29.8 |
0.035 |
32 |
15 |
0 |
0.876 |
2 |
|
B |
292 |
76 |
16463 |
◊ |
A |
x,y,z |
1_555 |
272 |
64 |
17782 |
2616.3 |
-28.3 |
0.048 |
34 |
14 |
0 |
0.876 |
Average: |
2645.4 |
-29.1 |
0.042 |
33 |
15 |
0 |
0.876 |
2 |
3 |
|
B |
98 |
28 |
16463 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
85 |
26 |
16425 |
780.7 |
-3.6 |
0.518 |
7 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
60 |
19 |
17805 |
◊ |
A |
x,y,z |
1_555 |
59 |
20 |
17782 |
567.5 |
-5.7 |
0.264 |
10 |
2 |
0 |
0.485 |
4 |
5 |
|
C |
62 |
18 |
17805 |
◊ |
B |
x,y,z |
1_555 |
44 |
13 |
16463 |
461.6 |
-4.5 |
0.252 |
1 |
0 |
0 |
0.076 |
6 |
|
D |
42 |
12 |
16425 |
◊ |
A |
x,y,z |
1_555 |
59 |
18 |
17782 |
432.8 |
-4.3 |
0.256 |
1 |
0 |
0 |
0.076 |
Average: |
447.2 |
-4.4 |
0.254 |
1 |
0 |
0 |
0.076 |
5 |
7 |
|
A |
52 |
15 |
17782 |
◊ |
C |
-x+1,y-1,-z+2 |
2_647 |
52 |
13 |
17805 |
459.1 |
2.0 |
0.821 |
2 |
1 |
0 |
0.000 |
6 |
8 |
|
B |
47 |
16 |
16463 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
49 |
15 |
16463 |
447.0 |
3.3 |
0.811 |
3 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
55 |
17 |
17782 |
◊ |
C |
x,y-1,z |
1_545 |
52 |
17 |
17805 |
438.5 |
3.9 |
0.905 |
4 |
4 |
0 |
0.000 |
8 |
10 |
|
A |
50 |
11 |
17782 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
49 |
9 |
16425 |
407.0 |
0.3 |
0.653 |
2 |
4 |
0 |
0.000 |
9 |
11 |
|
A |
48 |
15 |
17782 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
48 |
15 |
17782 |
394.5 |
-0.3 |
0.672 |
2 |
0 |
0 |
0.000 |
12 |
|
C |
49 |
15 |
17805 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
49 |
15 |
17805 |
391.9 |
-0.7 |
0.638 |
2 |
0 |
0 |
0.000 |
Average: |
393.2 |
-0.5 |
0.655 |
2 |
0 |
0 |
0.000 |
10 |
13 |
|
D |
48 |
13 |
16425 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
36 |
10 |
17782 |
381.8 |
1.9 |
0.752 |
2 |
3 |
0 |
0.000 |
14 |
|
C |
37 |
11 |
17805 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
46 |
12 |
16463 |
378.0 |
1.4 |
0.690 |
1 |
1 |
0 |
0.000 |
Average: |
379.9 |
1.7 |
0.721 |
2 |
2 |
0 |
0.000 |
11 |
15 |
|
A |
38 |
15 |
17782 |
◊ |
B |
x,y-1,z |
1_545 |
51 |
18 |
16463 |
362.6 |
-0.5 |
0.628 |
2 |
0 |
0 |
0.000 |
16 |
|
D |
47 |
17 |
16425 |
◊ |
C |
x,y-1,z |
1_545 |
36 |
15 |
17805 |
343.7 |
-0.5 |
0.612 |
2 |
0 |
0 |
0.000 |
Average: |
353.1 |
-0.5 |
0.620 |
2 |
0 |
0 |
0.000 |
12 |
17 |
|
D |
43 |
12 |
16425 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
36 |
11 |
16463 |
342.0 |
0.9 |
0.749 |
2 |
4 |
0 |
0.000 |
13 |
18 |
|
D |
33 |
10 |
16425 |
◊ |
C |
-x+3/2,y-1/2,-z+2 |
4_647 |
28 |
7 |
17805 |
249.2 |
-0.4 |
0.608 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[PLP]D:401 |
15 |
1 |
388 |
cf |
D |
x,y,z |
1_555 |
40 |
15 |
16425 |
233.7 |
0.0 |
0.619 |
8 |
0 |
0 |
0.438 |
20 |
|
[PLP]B:402 |
15 |
1 |
383 |
cf |
B |
x,y,z |
1_555 |
42 |
15 |
16463 |
233.0 |
0.6 |
0.647 |
11 |
0 |
0 |
0.438 |
21 |
|
[PLP]A:404 |
15 |
1 |
391 |
cf |
A |
x,y,z |
1_555 |
41 |
17 |
17782 |
220.5 |
-0.8 |
0.574 |
9 |
0 |
0 |
0.438 |
22 |
|
[PLP]C:402 |
15 |
1 |
388 |
cf |
C |
x,y,z |
1_555 |
40 |
17 |
17805 |
215.6 |
0.3 |
0.638 |
11 |
0 |
0 |
0.438 |
Average: |
225.7 |
0.0 |
0.619 |
10 |
0 |
0 |
0.438 |
15 |
23 |
|
[3IL]C:403 |
15 |
1 |
370 |
f |
C |
x,y,z |
1_555 |
31 |
13 |
17805 |
186.4 |
4.0 |
0.357 |
5 |
0 |
0 |
0.000 |
16 |
24 |
|
[3IL]A:405 |
15 |
1 |
367 |
f |
A |
x,y,z |
1_555 |
28 |
12 |
17782 |
185.1 |
3.8 |
0.330 |
5 |
0 |
0 |
0.000 |
17 |
25 |
|
[3IL]A:405 |
10 |
1 |
367 |
◊ |
B |
x,y,z |
1_555 |
22 |
5 |
16463 |
101.1 |
1.9 |
0.288 |
1 |
0 |
0 |
0.000 |
18 |
26 |
|
[3IL]C:403 |
10 |
1 |
370 |
◊ |
D |
x,y,z |
1_555 |
19 |
5 |
16425 |
99.9 |
2.0 |
0.286 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[NO3]B:401 |
4 |
1 |
166 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
16463 |
75.3 |
1.4 |
0.525 |
1 |
0 |
0 |
0.000 |
20 |
28 |
|
C |
7 |
2 |
17805 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
7 |
2 |
17782 |
63.1 |
1.3 |
0.859 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
A |
7 |
2 |
17782 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
4 |
16463 |
58.7 |
-0.3 |
0.548 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[NO3]A:403 |
4 |
1 |
164 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
17782 |
58.5 |
0.6 |
0.415 |
1 |
0 |
0 |
0.000 |
23 |
31 |
|
[NO3]A:403 |
4 |
1 |
164 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
17805 |
57.5 |
0.6 |
0.418 |
1 |
0 |
0 |
0.000 |
24 |
32 |
|
[PLP]D:401 |
5 |
1 |
388 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
17805 |
56.3 |
-1.7 |
0.433 |
1 |
0 |
0 |
0.077 |
33 |
|
[PLP]B:402 |
6 |
1 |
383 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
17782 |
52.0 |
-1.8 |
0.448 |
1 |
0 |
0 |
0.077 |
34 |
|
[PLP]C:402 |
6 |
1 |
388 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
16425 |
46.6 |
-1.4 |
0.448 |
1 |
0 |
0 |
0.077 |
35 |
|
[PLP]A:404 |
6 |
1 |
391 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
16463 |
45.2 |
-1.5 |
0.451 |
1 |
0 |
0 |
0.077 |
Average: |
50.0 |
-1.6 |
0.445 |
1 |
0 |
0 |
0.077 |
25 |
36 |
|
[NO3]B:401 |
3 |
1 |
166 |
f |
D |
x-1/2,y+1/2,z |
3_455 |
8 |
5 |
16425 |
48.8 |
0.6 |
0.096 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
B |
4 |
2 |
16463 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
4 |
2 |
17805 |
45.9 |
0.7 |
0.803 |
1 |
2 |
0 |
0.000 |
27 |
38 |
|
[MG]C:401 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
17805 |
44.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.151 |
39 |
|
[MG]A:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
17782 |
40.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.151 |
40 |
|
[MG]C:401 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
16425 |
39.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.151 |
41 |
|
[MG]A:402 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
16463 |
35.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.151 |
Average: |
39.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.151 |
28 |
42 |
|
[3IL]C:403 |
8 |
1 |
370 |
f |
[PLP]C:402 |
x,y,z |
1_555 |
6 |
1 |
388 |
41.7 |
1.3 |
0.070 |
0 |
0 |
0 |
0.000 |
29 |
43 |
|
[3IL]A:405 |
8 |
1 |
367 |
f |
[PLP]A:404 |
x,y,z |
1_555 |
7 |
1 |
391 |
40.0 |
1.4 |
0.068 |
0 |
0 |
0 |
0.000 |
30 |
44 |
|
[MG]A:401 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
17782 |
28.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.274 |
45 |
|
[MG]A:401 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
17805 |
22.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.274 |
Average: |
25.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.274 |
31 |
46 |
|
B |
6 |
3 |
16463 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
7 |
3 |
16425 |
25.6 |
-0.1 |
0.569 |
0 |
0 |
0 |
0.000 |
32 |
47 |
|
[NO3]A:403 |
1 |
1 |
164 |
f |
[MG]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.100 |
33 |
48 |
|
A |
3 |
3 |
17782 |
◊ |
C |
-x+1,y-1,-z+1 |
2_646 |
3 |
3 |
17805 |
18.6 |
0.2 |
0.730 |
0 |
0 |
0 |
0.000 |
34 |
49 |
|
A |
1 |
1 |
17782 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
1 |
1 |
17782 |
1.8 |
-0.1 |
0.441 |
0 |
0 |
0 |
0.000 |
|