## |
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 |
71 |
20 |
16313 |
x |
A |
x-1/2,y-1/2,z |
3_445 |
64 |
19 |
16281 |
591.6 |
-2.3 |
0.427 |
5 |
2 |
0 |
0.000 |
2 |
|
D |
68 |
19 |
16307 |
x |
F |
x-1/2,y+1/2,z |
3_455 |
67 |
20 |
16297 |
588.7 |
-1.9 |
0.458 |
5 |
2 |
0 |
0.000 |
3 |
|
B |
64 |
20 |
16313 |
x |
A |
x,y,z |
1_555 |
71 |
20 |
16281 |
588.4 |
-2.1 |
0.450 |
5 |
2 |
0 |
0.000 |
4 |
|
F |
72 |
19 |
16297 |
x |
D |
x,y,z |
1_555 |
65 |
20 |
16307 |
586.6 |
-2.2 |
0.435 |
5 |
2 |
0 |
0.000 |
5 |
|
C |
70 |
20 |
16309 |
x |
C |
-x-1/2,y-1/2,-z |
4_445 |
61 |
20 |
16309 |
584.6 |
-2.2 |
0.443 |
5 |
2 |
0 |
0.000 |
6 |
|
E |
61 |
19 |
16335 |
x |
E |
-x-1/2,y-1/2,-z-1 |
4_444 |
69 |
20 |
16335 |
583.7 |
-2.1 |
0.444 |
5 |
2 |
0 |
0.000 |
Average: |
587.3 |
-2.1 |
0.443 |
5 |
2 |
0 |
0.000 |
2 |
7 |
|
B |
28 |
10 |
16313 |
◊ |
C |
-x-1/2,y-1/2,-z |
4_445 |
32 |
11 |
16309 |
343.0 |
-0.3 |
0.567 |
5 |
6 |
0 |
0.000 |
8 |
|
E |
32 |
11 |
16335 |
◊ |
D |
-x-1/2,y-1/2,-z-1 |
4_444 |
27 |
9 |
16307 |
342.6 |
-0.5 |
0.535 |
4 |
6 |
0 |
0.000 |
9 |
|
E |
28 |
9 |
16335 |
◊ |
F |
x-1/2,y+1/2,z |
3_455 |
34 |
11 |
16297 |
341.1 |
-0.5 |
0.537 |
3 |
6 |
0 |
0.000 |
10 |
|
C |
28 |
9 |
16309 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
31 |
11 |
16281 |
339.8 |
-1.0 |
0.472 |
3 |
4 |
0 |
0.000 |
11 |
|
F |
26 |
9 |
16297 |
◊ |
B |
x,y,z |
1_555 |
34 |
12 |
16313 |
339.2 |
-0.5 |
0.543 |
4 |
6 |
0 |
0.000 |
12 |
|
D |
32 |
11 |
16307 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
16281 |
339.1 |
-0.5 |
0.544 |
3 |
6 |
0 |
0.000 |
Average: |
340.8 |
-0.5 |
0.533 |
4 |
6 |
0 |
0.000 |
3 |
13 |
|
[PEP]D:503 |
10 |
1 |
284 |
f |
D |
x,y,z |
1_555 |
29 |
16 |
16307 |
186.4 |
-5.5 |
0.495 |
13 |
0 |
0 |
0.022 |
14 |
|
[PEP]A:501 |
10 |
1 |
282 |
f |
A |
x,y,z |
1_555 |
28 |
16 |
16281 |
183.6 |
-3.7 |
0.627 |
12 |
0 |
0 |
0.022 |
15 |
|
[PEP]C:503 |
10 |
1 |
283 |
f |
C |
x,y,z |
1_555 |
29 |
16 |
16309 |
183.3 |
-5.5 |
0.484 |
13 |
0 |
0 |
0.022 |
Average: |
184.4 |
-4.9 |
0.535 |
13 |
0 |
0 |
0.022 |
4 |
16 |
|
[PEP]E:503 |
10 |
1 |
284 |
f |
E |
x,y,z |
1_555 |
29 |
16 |
16335 |
186.0 |
-5.3 |
0.521 |
12 |
0 |
0 |
0.020 |
5 |
17 |
|
[PEP]B:503 |
10 |
1 |
283 |
f |
B |
x,y,z |
1_555 |
29 |
16 |
16313 |
185.8 |
-5.4 |
0.501 |
13 |
0 |
0 |
0.021 |
18 |
|
[PEP]F:503 |
10 |
1 |
281 |
f |
F |
x,y,z |
1_555 |
29 |
16 |
16297 |
184.1 |
-4.3 |
0.597 |
13 |
0 |
0 |
0.021 |
Average: |
185.0 |
-4.9 |
0.549 |
13 |
0 |
0 |
0.021 |
6 |
19 |
|
[SO4]C:501 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
16309 |
107.3 |
-18.7 |
0.542 |
8 |
0 |
0 |
0.042 |
7 |
20 |
|
[SO4]B:501 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
16313 |
107.3 |
-18.8 |
0.571 |
7 |
0 |
0 |
0.042 |
21 |
|
[SO4]F:501 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
15 |
8 |
16297 |
106.2 |
-18.7 |
0.538 |
7 |
0 |
0 |
0.042 |
Average: |
106.7 |
-18.7 |
0.555 |
7 |
0 |
0 |
0.042 |
8 |
22 |
|
[SO4]D:501 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
16307 |
106.9 |
-17.3 |
0.774 |
7 |
0 |
0 |
0.040 |
9 |
23 |
|
[SO4]E:501 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
17 |
9 |
16335 |
106.9 |
-18.6 |
0.551 |
8 |
0 |
0 |
0.042 |
10 |
24 |
|
[SO4]A:502 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
16281 |
106.8 |
-18.9 |
0.541 |
7 |
0 |
0 |
0.043 |
11 |
25 |
|
[SO4]C:502 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
16309 |
97.0 |
-15.1 |
0.495 |
4 |
0 |
0 |
0.032 |
12 |
26 |
|
[SO4]E:502 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
16335 |
96.9 |
-15.2 |
0.544 |
4 |
0 |
0 |
0.032 |
13 |
27 |
|
[SO4]D:502 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
16307 |
96.7 |
-15.3 |
0.508 |
4 |
0 |
0 |
0.033 |
14 |
28 |
|
[SO4]F:502 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
16297 |
95.7 |
-15.1 |
0.484 |
4 |
0 |
0 |
0.033 |
15 |
29 |
|
[SO4]A:503 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
16281 |
95.7 |
-15.0 |
0.486 |
4 |
0 |
0 |
0.033 |
16 |
30 |
|
[SO4]B:502 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
16313 |
95.6 |
-15.0 |
0.495 |
4 |
0 |
0 |
0.032 |
17 |
31 |
|
C |
6 |
2 |
16309 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
7 |
2 |
16313 |
70.2 |
-0.1 |
0.551 |
0 |
0 |
0 |
0.000 |
32 |
|
E |
7 |
2 |
16335 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
6 |
2 |
16307 |
67.3 |
-0.1 |
0.552 |
0 |
0 |
0 |
0.000 |
33 |
|
F |
6 |
2 |
16297 |
◊ |
A |
x,y-1,z |
1_545 |
8 |
2 |
16281 |
65.1 |
0.1 |
0.627 |
0 |
0 |
0 |
0.000 |
Average: |
67.6 |
-0.0 |
0.577 |
0 |
0 |
0 |
0.000 |
18 |
34 |
|
[SO4]E:501 |
3 |
1 |
187 |
f |
[PEP]E:503 |
x,y,z |
1_555 |
3 |
1 |
284 |
27.2 |
-3.0 |
0.875 |
0 |
0 |
0 |
0.006 |
19 |
35 |
|
[SO4]F:501 |
3 |
1 |
187 |
f |
[PEP]F:503 |
x,y,z |
1_555 |
3 |
1 |
281 |
26.7 |
-2.9 |
0.868 |
0 |
0 |
0 |
0.006 |
20 |
36 |
|
[SO4]C:501 |
3 |
1 |
186 |
f |
[PEP]C:503 |
x,y,z |
1_555 |
4 |
1 |
283 |
25.6 |
-3.0 |
0.877 |
0 |
0 |
0 |
0.006 |
21 |
37 |
|
[SO4]A:502 |
3 |
1 |
187 |
f |
[PEP]A:501 |
x,y,z |
1_555 |
3 |
1 |
282 |
25.4 |
-2.8 |
0.868 |
0 |
0 |
0 |
0.005 |
22 |
38 |
|
[SO4]B:501 |
4 |
1 |
187 |
f |
[PEP]B:503 |
x,y,z |
1_555 |
3 |
1 |
283 |
25.1 |
-2.7 |
0.871 |
0 |
0 |
0 |
0.005 |
23 |
39 |
|
[SO4]D:501 |
4 |
1 |
185 |
f |
[PEP]D:503 |
x,y,z |
1_555 |
4 |
1 |
284 |
24.8 |
-2.8 |
0.880 |
0 |
0 |
0 |
0.005 |
24 |
40 |
|
E |
2 |
2 |
16335 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
16307 |
9.6 |
0.6 |
0.879 |
0 |
0 |
0 |
0.000 |
41 |
|
C |
2 |
2 |
16309 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
16313 |
9.5 |
0.7 |
0.887 |
0 |
0 |
0 |
0.000 |
42 |
|
F |
2 |
2 |
16297 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
16281 |
8.3 |
0.7 |
0.891 |
0 |
0 |
0 |
0.000 |
Average: |
9.1 |
0.7 |
0.886 |
0 |
0 |
0 |
0.000 |
|