| ## |
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 |
73 |
22 |
6522 |
x |
B |
-z,-x,y |
6_555 |
77 |
22 |
6522 |
696.9 |
-5.4 |
0.480 |
11 |
0 |
0 |
0.256 |
2 |
|
A |
66 |
20 |
5556 |
x |
D |
-z-1/2,x-1/2,-y-1/2 |
20_444 |
70 |
20 |
6791 |
661.4 |
-3.4 |
0.612 |
12 |
0 |
0 |
0.256 |
3 |
|
C |
65 |
17 |
5733 |
x |
D |
-z-1/2,x-1/2,-y-1/2 |
20_444 |
58 |
18 |
6791 |
557.9 |
0.2 |
0.779 |
14 |
0 |
0 |
0.256 |
4 |
|
C |
60 |
17 |
5733 |
x |
A |
x,y,z |
1_555 |
66 |
18 |
5556 |
557.3 |
-1.2 |
0.659 |
14 |
0 |
0 |
0.256 |
| Average: |
618.4 |
-2.4 |
0.632 |
13 |
0 |
0 |
0.256 |
| 2 |
5 |
|
D |
53 |
15 |
6791 |
◊ |
B |
x,y,z |
1_555 |
52 |
16 |
6522 |
466.4 |
-4.7 |
0.508 |
3 |
2 |
0 |
0.078 |
6 |
|
A |
31 |
11 |
5556 |
◊ |
C |
z+1/2,x-1/2,y-1/2 |
17_544 |
31 |
9 |
5733 |
228.9 |
0.3 |
0.715 |
2 |
1 |
0 |
0.078 |
| Average: |
347.7 |
-2.2 |
0.611 |
3 |
2 |
0 |
0.078 |
| 3 |
7 |
|
A |
30 |
8 |
5556 |
◊ |
C |
-z-1/2,x-1/2,-y-1/2 |
20_444 |
31 |
8 |
5733 |
284.8 |
-0.5 |
0.662 |
5 |
0 |
0 |
0.000 |
8 |
|
D |
23 |
8 |
6791 |
◊ |
B |
-x+1,y,-z-1 |
4_654 |
23 |
8 |
6522 |
229.7 |
-0.2 |
0.742 |
3 |
0 |
0 |
0.000 |
| Average: |
257.2 |
-0.3 |
0.702 |
4 |
0 |
0 |
0.000 |
| 4 |
9 |
|
D |
17 |
4 |
6791 |
◊ |
C |
x,y,z |
1_555 |
21 |
10 |
5733 |
180.5 |
-2.9 |
0.211 |
0 |
0 |
0 |
0.000 |
| 5 |
10 |
|
[EF2]C:502 |
14 |
1 |
416 |
f |
C |
x,y,z |
1_555 |
33 |
7 |
5733 |
178.5 |
-4.1 |
0.514 |
2 |
0 |
0 |
0.121 |
11 |
|
[EF2]A:504 |
14 |
1 |
413 |
f |
A |
x,y,z |
1_555 |
33 |
7 |
5556 |
173.4 |
-4.4 |
0.492 |
2 |
0 |
0 |
0.121 |
12 |
|
[EF2]D:505 |
14 |
1 |
413 |
f |
D |
x,y,z |
1_555 |
30 |
6 |
6791 |
168.1 |
-4.2 |
0.527 |
2 |
0 |
0 |
0.121 |
13 |
|
[EF2]B:505 |
14 |
1 |
414 |
f |
B |
x,y,z |
1_555 |
32 |
7 |
6522 |
157.7 |
-3.9 |
0.539 |
2 |
0 |
0 |
0.121 |
| Average: |
169.4 |
-4.1 |
0.518 |
2 |
0 |
0 |
0.121 |
| 6 |
14 |
|
[EF2]B:505 |
15 |
1 |
414 |
◊ |
D |
x,y,z |
1_555 |
31 |
7 |
6791 |
177.2 |
-2.8 |
0.616 |
1 |
0 |
0 |
0.075 |
15 |
|
[EF2]D:505 |
15 |
1 |
413 |
◊ |
B |
x,y,z |
1_555 |
26 |
6 |
6522 |
169.0 |
-2.4 |
0.591 |
1 |
0 |
0 |
0.075 |
16 |
|
[EF2]A:504 |
13 |
1 |
413 |
◊ |
C |
z+1/2,x-1/2,y-1/2 |
17_544 |
20 |
6 |
5733 |
139.4 |
-1.0 |
0.669 |
1 |
0 |
0 |
0.075 |
17 |
|
A |
19 |
6 |
5556 |
◊ |
[EF2]C:502 |
z+1/2,x-1/2,y-1/2 |
17_544 |
13 |
1 |
416 |
103.0 |
-1.0 |
0.645 |
1 |
0 |
0 |
0.075 |
| Average: |
147.2 |
-1.8 |
0.631 |
1 |
0 |
0 |
0.075 |
| 7 |
18 |
|
D |
22 |
7 |
6791 |
◊ |
B |
z+1,-x,-y-1 |
7_654 |
11 |
3 |
6522 |
152.5 |
-3.8 |
0.106 |
1 |
0 |
0 |
0.000 |
| 8 |
19 |
|
A |
11 |
4 |
5556 |
◊ |
A |
-x,y,-z-1 |
4_554 |
11 |
4 |
5556 |
124.9 |
-0.2 |
0.637 |
2 |
0 |
0 |
0.000 |
| 9 |
20 |
|
D |
9 |
3 |
6791 |
◊ |
D |
-x+1,y,-z-1 |
4_654 |
9 |
3 |
6791 |
113.9 |
-0.6 |
0.586 |
0 |
0 |
0 |
0.000 |
| 10 |
21 |
|
[SO4]D:502 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
6791 |
82.0 |
-11.2 |
0.876 |
3 |
0 |
0 |
0.154 |
| 11 |
22 |
|
[SO4]A:502 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
5733 |
75.1 |
-10.4 |
0.892 |
1 |
0 |
0 |
0.081 |
| 12 |
23 |
|
A |
11 |
5 |
5556 |
◊ |
[SO4]D:504 |
-z-1/2,x-1/2,-y-1/2 |
20_444 |
5 |
1 |
187 |
69.5 |
-9.5 |
0.877 |
2 |
0 |
0 |
0.078 |
| 13 |
24 |
|
[SO4]D:504 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
6791 |
68.9 |
-9.1 |
0.839 |
4 |
0 |
0 |
0.134 |
| 14 |
25 |
|
[SO4]B:502 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
6522 |
66.6 |
-9.2 |
0.888 |
1 |
0 |
0 |
0.241 |
| 15 |
26 |
|
[SO4]A:502 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
5556 |
59.9 |
-8.7 |
0.666 |
1 |
0 |
0 |
0.068 |
| 16 |
27 |
|
C |
12 |
5 |
5733 |
◊ |
[SO4]D:502 |
-z-1/2,x-1/2,-y-1/2 |
20_444 |
5 |
1 |
186 |
58.5 |
-8.2 |
0.675 |
3 |
0 |
0 |
0.072 |
| 17 |
28 |
|
[SO4]B:502 |
5 |
1 |
185 |
◊ |
B |
-z,-x,y |
6_555 |
11 |
5 |
6522 |
55.0 |
-7.6 |
0.712 |
2 |
0 |
0 |
0.211 |
| 18 |
29 |
|
[SO4]D:503 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
6791 |
52.7 |
-5.4 |
0.947 |
2 |
0 |
0 |
0.077 |
| 19 |
30 |
|
[SO4]A:503 |
4 |
1 |
186 |
f |
C |
z+1/2,x-1/2,y-1/2 |
17_544 |
9 |
2 |
5733 |
52.3 |
-7.1 |
0.685 |
0 |
0 |
0 |
0.053 |
| 20 |
31 |
|
[SO4]B:503 |
5 |
1 |
186 |
fx |
[SO4]B:503 |
-z,-x,y |
6_555 |
5 |
1 |
186 |
50.9 |
-10.9 |
0.993 |
0 |
0 |
0 |
0.153 |
| 21 |
32 |
|
[SO4]A:503 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
5556 |
50.9 |
-6.5 |
0.791 |
1 |
0 |
0 |
0.018 |
| 22 |
33 |
|
[SO4]B:504 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
6522 |
49.5 |
-6.5 |
0.829 |
1 |
0 |
0 |
0.173 |
| 23 |
34 |
|
[SO4]B:504 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
6791 |
45.1 |
-5.8 |
0.830 |
1 |
0 |
0 |
0.077 |
| 24 |
35 |
|
C |
5 |
3 |
5733 |
◊ |
[SO4]D:503 |
-z-1/2,x-1/2,-y-1/2 |
20_444 |
4 |
1 |
186 |
42.6 |
-4.5 |
0.926 |
1 |
0 |
0 |
0.037 |
| 25 |
36 |
|
A |
5 |
3 |
5556 |
◊ |
[SO4]D:503 |
-z-1/2,x-1/2,-y-1/2 |
20_444 |
4 |
1 |
186 |
36.5 |
-4.2 |
0.878 |
1 |
0 |
0 |
0.034 |
| 26 |
37 |
|
[SO4]B:503 |
4 |
1 |
186 |
◊ |
B |
-z,-x,y |
6_555 |
4 |
2 |
6522 |
33.4 |
-4.1 |
0.898 |
1 |
0 |
0 |
0.064 |
| 27 |
38 |
|
B |
5 |
3 |
6522 |
◊ |
[SO4]B:503 |
-z,-x,y |
6_555 |
4 |
1 |
186 |
32.2 |
-4.0 |
0.841 |
1 |
0 |
0 |
0.063 |
| 28 |
39 |
|
[EF2]A:504 |
5 |
1 |
413 |
◊ |
[EF2]C:502 |
z+1/2,x-1/2,y-1/2 |
17_544 |
5 |
1 |
416 |
29.0 |
-0.1 |
0.773 |
0 |
0 |
0 |
0.000 |
40 |
|
[EF2]D:505 |
5 |
1 |
413 |
◊ |
[EF2]B:505 |
x,y,z |
1_555 |
5 |
1 |
414 |
24.2 |
-0.0 |
0.781 |
0 |
0 |
0 |
0.000 |
| Average: |
26.6 |
-0.1 |
0.777 |
0 |
0 |
0 |
0.000 |
| 29 |
41 |
|
[SO4]B:503 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
6522 |
27.1 |
-3.3 |
0.891 |
0 |
0 |
0 |
0.047 |
| 30 |
42 |
|
C |
5 |
4 |
5733 |
◊ |
C |
x,-y,-z-1 |
3_554 |
5 |
4 |
5733 |
26.8 |
-0.0 |
0.634 |
0 |
0 |
0 |
0.000 |
43 |
|
B |
4 |
2 |
6522 |
◊ |
B |
-x+1,y,-z-1 |
4_654 |
4 |
2 |
6522 |
17.5 |
-0.6 |
0.462 |
0 |
0 |
0 |
0.000 |
| Average: |
22.2 |
-0.3 |
0.548 |
0 |
0 |
0 |
0.000 |
| 31 |
44 |
|
[SO4]D:504 |
4 |
1 |
187 |
f |
[SO4]D:503 |
x,y,z |
1_555 |
4 |
1 |
186 |
17.4 |
-3.6 |
0.998 |
0 |
0 |
0 |
0.045 |
| 32 |
45 |
|
[SO4]B:503 |
3 |
1 |
186 |
◊ |
[SO4]B:502 |
-z,-x,y |
6_555 |
4 |
1 |
185 |
15.5 |
-3.4 |
0.995 |
0 |
0 |
0 |
0.048 |
| 33 |
46 |
|
[SO4]A:502 |
4 |
1 |
187 |
◊ |
[SO4]D:503 |
-z-1/2,x-1/2,-y-1/2 |
20_444 |
4 |
1 |
186 |
15.1 |
-3.3 |
0.998 |
0 |
0 |
0 |
0.024 |
| 34 |
47 |
|
[SO4]D:503 |
3 |
1 |
186 |
f |
[SO4]D:502 |
x,y,z |
1_555 |
3 |
1 |
186 |
14.1 |
-3.0 |
0.992 |
0 |
0 |
0 |
0.037 |
| 35 |
48 |
|
B |
3 |
1 |
6522 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
5556 |
13.4 |
-0.0 |
0.642 |
0 |
0 |
0 |
0.000 |
| 36 |
49 |
|
[SO4]B:502 |
4 |
1 |
185 |
◊ |
[SO4]B:503 |
-z,-x,y |
6_555 |
3 |
1 |
186 |
11.9 |
-2.5 |
0.995 |
0 |
0 |
0 |
0.035 |
| 37 |
50 |
|
[SO4]B:503 |
2 |
1 |
186 |
◊ |
[SO4]B:502 |
x,y,z |
1_555 |
3 |
1 |
185 |
8.7 |
-2.0 |
0.976 |
0 |
0 |
0 |
0.028 |
| 38 |
51 |
|
D |
1 |
1 |
6791 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
5556 |
6.2 |
0.0 |
0.531 |
0 |
0 |
0 |
0.000 |
52 |
|
B |
1 |
1 |
6522 |
◊ |
C |
z+1/2,x-1/2,y-1/2 |
17_544 |
2 |
1 |
5733 |
4.8 |
-0.0 |
0.509 |
0 |
0 |
0 |
0.000 |
| Average: |
5.5 |
-0.0 |
0.520 |
0 |
0 |
0 |
0.000 |
|