## |
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 |
544 |
129 |
20139 |
◊ |
C |
x,y,z |
1_555 |
539 |
130 |
20089 |
5233.9 |
-76.4 |
0.004 |
74 |
15 |
0 |
0.833 |
2 |
|
B |
539 |
129 |
20164 |
◊ |
A |
x,y,z |
1_555 |
534 |
130 |
20093 |
5224.5 |
-75.5 |
0.005 |
74 |
16 |
0 |
0.833 |
Average: |
5229.2 |
-76.0 |
0.004 |
74 |
16 |
0 |
0.833 |
2 |
3 |
|
A |
54 |
13 |
20093 |
◊ |
D |
x-1,y,z-1 |
1_454 |
56 |
13 |
20139 |
518.1 |
-0.0 |
0.832 |
8 |
16 |
0 |
0.000 |
3 |
4 |
|
A |
48 |
19 |
20093 |
◊ |
B |
x-1,y,z-1 |
1_454 |
47 |
15 |
20164 |
438.7 |
-1.7 |
0.614 |
6 |
2 |
0 |
0.000 |
5 |
|
C |
51 |
15 |
20089 |
◊ |
D |
x-1,y,z-1 |
1_454 |
56 |
18 |
20139 |
430.3 |
-1.8 |
0.591 |
4 |
4 |
0 |
0.000 |
Average: |
434.5 |
-1.7 |
0.602 |
5 |
3 |
0 |
0.000 |
4 |
6 |
|
B |
37 |
12 |
20164 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
12 |
20089 |
287.6 |
0.5 |
0.816 |
3 |
1 |
0 |
0.000 |
5 |
7 |
|
D |
30 |
13 |
20139 |
x |
D |
x-1,y,z |
1_455 |
33 |
10 |
20139 |
284.9 |
0.0 |
0.659 |
3 |
0 |
0 |
0.000 |
6 |
8 |
|
[PLP]C:600 |
15 |
1 |
382 |
f |
C |
x,y,z |
1_555 |
40 |
15 |
20089 |
198.8 |
1.0 |
0.669 |
5 |
0 |
0 |
0.031 |
9 |
|
[PLP]B:600 |
15 |
1 |
378 |
f |
B |
x,y,z |
1_555 |
40 |
15 |
20164 |
197.2 |
0.9 |
0.652 |
6 |
0 |
0 |
0.031 |
10 |
|
[PLP]A:600 |
15 |
1 |
376 |
f |
A |
x,y,z |
1_555 |
41 |
15 |
20093 |
196.8 |
0.8 |
0.660 |
7 |
0 |
0 |
0.031 |
11 |
|
[PLP]D:600 |
15 |
1 |
377 |
f |
D |
x,y,z |
1_555 |
41 |
15 |
20139 |
196.3 |
0.9 |
0.655 |
6 |
0 |
0 |
0.031 |
Average: |
197.2 |
0.9 |
0.659 |
6 |
0 |
0 |
0.031 |
7 |
12 |
|
[GEG]C:700 |
9 |
1 |
298 |
cf |
C |
x,y,z |
1_555 |
24 |
10 |
20089 |
138.4 |
3.0 |
0.537 |
2 |
0 |
0 |
0.000 |
13 |
|
[GEG]A:700 |
9 |
1 |
296 |
cf |
A |
x,y,z |
1_555 |
25 |
11 |
20093 |
136.5 |
3.1 |
0.546 |
2 |
0 |
0 |
0.000 |
14 |
|
[GEG]D:700 |
9 |
1 |
297 |
cf |
D |
x,y,z |
1_555 |
24 |
10 |
20139 |
136.3 |
2.9 |
0.527 |
2 |
0 |
0 |
0.000 |
15 |
|
[GEG]B:700 |
9 |
1 |
294 |
cf |
B |
x,y,z |
1_555 |
23 |
10 |
20164 |
136.1 |
3.3 |
0.568 |
3 |
0 |
0 |
0.000 |
Average: |
136.8 |
3.1 |
0.545 |
2 |
0 |
0 |
0.000 |
8 |
16 |
|
[FES]C:800 |
4 |
1 |
247 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
20139 |
95.8 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.116 |
17 |
|
[FES]A:800 |
4 |
1 |
244 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
20093 |
93.1 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.116 |
Average: |
94.5 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.116 |
9 |
18 |
|
[FES]C:800 |
4 |
1 |
247 |
◊ |
C |
x,y,z |
1_555 |
12 |
7 |
20089 |
91.1 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.068 |
10 |
19 |
|
[FES]A:800 |
4 |
1 |
244 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
20164 |
90.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.069 |
11 |
20 |
|
A |
10 |
3 |
20093 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
4 |
20164 |
80.2 |
-0.0 |
0.652 |
0 |
0 |
0 |
0.000 |
12 |
21 |
|
[GEG]C:700 |
9 |
1 |
298 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
20139 |
68.4 |
0.1 |
0.233 |
0 |
0 |
0 |
0.000 |
22 |
|
[GEG]D:700 |
9 |
1 |
297 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
20089 |
67.7 |
0.0 |
0.234 |
0 |
0 |
0 |
0.000 |
23 |
|
[GEG]A:700 |
9 |
1 |
296 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
20164 |
67.5 |
0.0 |
0.240 |
0 |
0 |
0 |
0.000 |
24 |
|
[GEG]B:700 |
9 |
1 |
294 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
20093 |
65.6 |
0.0 |
0.242 |
0 |
0 |
0 |
0.000 |
Average: |
67.3 |
0.0 |
0.237 |
0 |
0 |
0 |
0.000 |
13 |
25 |
|
C |
7 |
2 |
20089 |
◊ |
D |
x,y,z-1 |
1_554 |
7 |
3 |
20139 |
67.9 |
0.0 |
0.658 |
0 |
2 |
0 |
0.000 |
14 |
26 |
|
A |
7 |
3 |
20093 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
5 |
2 |
20089 |
64.6 |
0.5 |
0.766 |
0 |
1 |
0 |
0.000 |
15 |
27 |
|
[PLP]D:600 |
6 |
1 |
377 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
20089 |
56.7 |
-2.8 |
0.301 |
2 |
0 |
0 |
0.054 |
28 |
|
[PLP]C:600 |
6 |
1 |
382 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
20139 |
54.5 |
-2.7 |
0.319 |
2 |
0 |
0 |
0.054 |
29 |
|
[PLP]B:600 |
5 |
1 |
378 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
20093 |
53.6 |
-2.7 |
0.298 |
2 |
0 |
0 |
0.054 |
30 |
|
[PLP]A:600 |
5 |
1 |
376 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
20164 |
53.0 |
-2.6 |
0.305 |
2 |
0 |
0 |
0.054 |
Average: |
54.5 |
-2.7 |
0.306 |
2 |
0 |
0 |
0.054 |
16 |
31 |
|
[GEG]C:700 |
5 |
1 |
298 |
cf |
[PLP]C:600 |
x,y,z |
1_555 |
6 |
1 |
382 |
53.8 |
1.4 |
0.386 |
0 |
0 |
0 |
0.000 |
32 |
|
[GEG]D:700 |
6 |
1 |
297 |
cf |
[PLP]D:600 |
x,y,z |
1_555 |
7 |
1 |
377 |
53.7 |
1.3 |
0.332 |
0 |
0 |
0 |
0.000 |
33 |
|
[GEG]B:700 |
5 |
1 |
294 |
cf |
[PLP]B:600 |
x,y,z |
1_555 |
8 |
1 |
378 |
53.6 |
1.3 |
0.381 |
0 |
0 |
0 |
0.000 |
34 |
|
[GEG]A:700 |
5 |
1 |
296 |
cf |
[PLP]A:600 |
x,y,z |
1_555 |
7 |
1 |
376 |
53.4 |
1.0 |
0.344 |
0 |
0 |
0 |
0.000 |
Average: |
53.6 |
1.3 |
0.361 |
0 |
0 |
0 |
0.000 |
17 |
35 |
|
[FES]A:800 |
1 |
1 |
244 |
f |
[PLP]A:600 |
x,y,z |
1_555 |
1 |
1 |
376 |
2.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
36 |
|
[FES]C:800 |
1 |
1 |
247 |
f |
[PLP]D:600 |
x,y,z |
1_555 |
1 |
1 |
377 |
2.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
2.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
18 |
37 |
|
[FES]A:800 |
1 |
1 |
244 |
◊ |
[PLP]B:600 |
x,y,z |
1_555 |
1 |
1 |
378 |
1.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
19 |
38 |
|
[FES]C:800 |
1 |
1 |
247 |
◊ |
[PLP]C:600 |
x,y,z |
1_555 |
1 |
1 |
382 |
1.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
|