## |
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 |
|
B |
496 |
126 |
20350 |
◊ |
A |
x,y,z |
1_555 |
506 |
128 |
20416 |
4894.0 |
-56.5 |
0.012 |
70 |
12 |
0 |
0.862 |
2 |
|
D |
498 |
130 |
20379 |
◊ |
C |
x,y,z |
1_555 |
501 |
128 |
20404 |
4889.3 |
-51.6 |
0.027 |
69 |
12 |
0 |
0.862 |
Average: |
4891.7 |
-54.0 |
0.020 |
70 |
12 |
0 |
0.862 |
2 |
3 |
|
C |
218 |
56 |
20404 |
◊ |
B |
x,y,z |
1_555 |
205 |
54 |
20350 |
2168.6 |
-18.7 |
0.190 |
21 |
8 |
0 |
0.662 |
4 |
|
D |
208 |
56 |
20379 |
◊ |
A |
x,y,z |
1_555 |
210 |
55 |
20416 |
2150.8 |
-19.4 |
0.168 |
22 |
9 |
0 |
0.662 |
Average: |
2159.7 |
-19.0 |
0.179 |
22 |
9 |
0 |
0.662 |
3 |
5 |
|
D |
109 |
37 |
20379 |
◊ |
B |
x,y,z |
1_555 |
105 |
35 |
20350 |
979.2 |
-6.5 |
0.453 |
6 |
0 |
0 |
0.063 |
6 |
|
C |
101 |
36 |
20404 |
◊ |
A |
x,y,z |
1_555 |
102 |
36 |
20416 |
962.5 |
-5.8 |
0.504 |
6 |
1 |
0 |
0.063 |
Average: |
970.8 |
-6.2 |
0.479 |
6 |
1 |
0 |
0.063 |
4 |
7 |
|
B |
36 |
14 |
20350 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
30 |
12 |
20404 |
272.6 |
-0.2 |
0.698 |
1 |
1 |
0 |
0.000 |
5 |
8 |
|
C |
29 |
8 |
20404 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
27 |
7 |
20350 |
254.8 |
0.6 |
0.768 |
3 |
4 |
0 |
0.000 |
6 |
9 |
|
D |
24 |
5 |
20379 |
x |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
25 |
7 |
20379 |
182.4 |
1.8 |
0.849 |
1 |
2 |
0 |
0.000 |
7 |
10 |
|
B |
20 |
5 |
20350 |
◊ |
D |
x-1,y,z |
1_455 |
20 |
7 |
20379 |
181.5 |
-1.6 |
0.430 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
B |
19 |
8 |
20350 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
19 |
8 |
20416 |
167.1 |
0.3 |
0.508 |
1 |
1 |
0 |
0.000 |
9 |
12 |
|
C |
17 |
7 |
20404 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
15 |
6 |
20416 |
142.7 |
0.5 |
0.748 |
3 |
0 |
0 |
0.000 |
10 |
13 |
|
[PYR]C:500 |
6 |
1 |
214 |
cf |
C |
x,y,z |
1_555 |
19 |
13 |
20404 |
118.0 |
4.4 |
0.703 |
6 |
0 |
0 |
0.000 |
14 |
|
[PYR]B:500 |
6 |
1 |
213 |
cf |
B |
x,y,z |
1_555 |
22 |
15 |
20350 |
117.6 |
4.4 |
0.701 |
6 |
0 |
0 |
0.000 |
15 |
|
[PYR]A:500 |
6 |
1 |
213 |
cf |
A |
x,y,z |
1_555 |
20 |
14 |
20416 |
116.7 |
4.4 |
0.706 |
7 |
0 |
0 |
0.000 |
16 |
|
[PYR]D:500 |
6 |
1 |
213 |
cf |
D |
x,y,z |
1_555 |
19 |
12 |
20379 |
115.3 |
4.5 |
0.715 |
5 |
0 |
0 |
0.000 |
Average: |
116.9 |
4.4 |
0.706 |
6 |
0 |
0 |
0.000 |
11 |
17 |
|
B |
12 |
5 |
20350 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
12 |
5 |
20350 |
111.8 |
1.7 |
0.883 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
B |
13 |
5 |
20350 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
3 |
20379 |
111.0 |
0.6 |
0.762 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
B |
10 |
4 |
20350 |
◊ |
A |
x-1,y,z |
1_455 |
14 |
4 |
20416 |
105.7 |
-2.1 |
0.157 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
[MG]C:453 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
16 |
11 |
20404 |
62.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.377 |
21 |
|
[MG]D:454 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
16 |
11 |
20379 |
62.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.377 |
22 |
|
[MG]A:451 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
10 |
20416 |
59.3 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.377 |
23 |
|
[MG]B:452 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
17 |
12 |
20350 |
58.4 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.377 |
Average: |
60.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.377 |
15 |
24 |
|
A |
12 |
4 |
20416 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
5 |
20404 |
60.2 |
0.2 |
0.695 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
C |
9 |
4 |
20404 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
4 |
20416 |
53.7 |
-0.2 |
0.522 |
0 |
0 |
0 |
0.000 |
17 |
26 |
|
C |
10 |
4 |
20404 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
3 |
20379 |
49.3 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
D |
2 |
2 |
20379 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
2 |
20350 |
24.9 |
0.7 |
0.880 |
1 |
0 |
0 |
0.000 |
19 |
28 |
|
[PYR]D:500 |
3 |
1 |
213 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
20404 |
22.8 |
0.7 |
0.904 |
0 |
0 |
0 |
0.000 |
29 |
|
[PYR]B:500 |
3 |
1 |
213 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
20416 |
19.7 |
0.0 |
0.457 |
0 |
0 |
0 |
0.000 |
Average: |
21.3 |
0.4 |
0.681 |
0 |
0 |
0 |
0.000 |
20 |
30 |
|
[PYR]A:500 |
3 |
1 |
213 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
20350 |
22.4 |
0.2 |
0.483 |
0 |
0 |
0 |
0.000 |
31 |
|
[PYR]C:500 |
3 |
1 |
214 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
20379 |
22.2 |
0.8 |
0.897 |
0 |
0 |
0 |
0.000 |
Average: |
22.3 |
0.5 |
0.690 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
[PYR]B:500 |
2 |
1 |
213 |
f |
[MG]B:452 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.046 |
33 |
|
[PYR]C:500 |
2 |
1 |
214 |
f |
[MG]C:453 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.046 |
34 |
|
[PYR]A:500 |
2 |
1 |
213 |
f |
[MG]A:451 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.046 |
35 |
|
[PYR]D:500 |
2 |
1 |
213 |
f |
[MG]D:454 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.046 |
Average: |
10.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.046 |
22 |
36 |
|
A |
1 |
1 |
20416 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
2 |
20379 |
10.0 |
0.5 |
0.815 |
0 |
0 |
0 |
0.000 |
|