## |
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 |
|
C |
95 |
28 |
28574 |
◊ |
A |
-y,x-y+1,z |
2_565 |
95 |
29 |
28334 |
923.9 |
-4.9 |
0.455 |
9 |
4 |
0 |
0.064 |
2 |
|
B |
99 |
30 |
28426 |
◊ |
D |
x,y,z-1 |
1_554 |
96 |
29 |
28176 |
920.4 |
-5.5 |
0.431 |
9 |
3 |
0 |
0.064 |
Average: |
922.1 |
-5.2 |
0.443 |
9 |
4 |
0 |
0.064 |
2 |
3 |
|
C |
65 |
18 |
28574 |
x |
B |
x,y,z |
1_555 |
85 |
28 |
28426 |
726.2 |
-8.5 |
0.134 |
7 |
0 |
0 |
0.167 |
4 |
|
C |
80 |
27 |
28574 |
x |
A |
x,y,z |
1_555 |
63 |
19 |
28334 |
694.1 |
-9.0 |
0.116 |
7 |
0 |
0 |
0.167 |
5 |
|
B |
66 |
18 |
28426 |
x |
A |
x,y,z |
1_555 |
77 |
27 |
28334 |
688.3 |
-7.9 |
0.165 |
8 |
0 |
0 |
0.167 |
6 |
|
D |
62 |
17 |
28176 |
x |
D |
-y,x-y+1,z |
2_565 |
83 |
28 |
28176 |
687.5 |
-7.9 |
0.160 |
8 |
0 |
0 |
0.167 |
Average: |
699.0 |
-8.3 |
0.144 |
8 |
0 |
0 |
0.167 |
3 |
7 |
|
D |
57 |
16 |
28176 |
◊ |
A |
x,y,z |
1_555 |
59 |
20 |
28334 |
542.3 |
-1.7 |
0.576 |
3 |
1 |
0 |
0.000 |
4 |
8 |
|
[UD1]A:1501 |
38 |
1 |
773 |
f |
A |
x,y,z |
1_555 |
62 |
28 |
28334 |
527.3 |
-4.5 |
0.625 |
14 |
0 |
0 |
0.159 |
9 |
|
[UD1]C:1501 |
38 |
1 |
768 |
f |
C |
x,y,z |
1_555 |
65 |
30 |
28574 |
522.4 |
-4.0 |
0.641 |
12 |
0 |
0 |
0.159 |
10 |
|
[UD1]B:1501 |
37 |
1 |
772 |
f |
B |
x,y,z |
1_555 |
61 |
27 |
28426 |
520.6 |
-3.7 |
0.662 |
14 |
0 |
0 |
0.159 |
11 |
|
[UD1]D:1501 |
38 |
1 |
767 |
f |
D |
x,y,z |
1_555 |
61 |
27 |
28176 |
519.7 |
-6.0 |
0.532 |
13 |
0 |
0 |
0.159 |
Average: |
522.5 |
-4.6 |
0.615 |
13 |
0 |
0 |
0.159 |
5 |
12 |
|
B |
56 |
17 |
28426 |
◊ |
A |
x-y,-y,-z |
5_555 |
50 |
14 |
28334 |
500.0 |
-3.8 |
0.375 |
1 |
0 |
0 |
0.000 |
6 |
13 |
|
[SO4]D:1505 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
28176 |
84.2 |
-13.1 |
0.589 |
4 |
0 |
0 |
0.200 |
7 |
14 |
|
[SO4]C:1505 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
28574 |
83.1 |
-13.0 |
0.613 |
3 |
0 |
0 |
0.068 |
8 |
15 |
|
[SO4]B:1505 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
28426 |
82.8 |
-12.5 |
0.589 |
5 |
0 |
0 |
0.070 |
9 |
16 |
|
[SO4]A:1505 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
28334 |
78.9 |
-11.9 |
0.617 |
5 |
0 |
0 |
0.067 |
10 |
17 |
|
[SO4]D:1504 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
28176 |
77.4 |
-11.5 |
0.677 |
3 |
0 |
0 |
0.172 |
11 |
18 |
|
[SO4]A:1504 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
28334 |
76.3 |
-11.4 |
0.664 |
1 |
0 |
0 |
0.056 |
12 |
19 |
|
[SO4]C:1504 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
28574 |
76.2 |
-11.3 |
0.721 |
4 |
0 |
0 |
0.062 |
13 |
20 |
|
D |
15 |
5 |
28176 |
◊ |
A |
-y,x-y+1,z |
2_565 |
7 |
3 |
28334 |
75.4 |
0.1 |
0.659 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
[SO4]B:1502 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
28426 |
75.2 |
-10.6 |
0.834 |
4 |
0 |
0 |
0.059 |
15 |
22 |
|
[SO4]C:1502 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
28574 |
72.8 |
-10.1 |
0.824 |
4 |
0 |
0 |
0.056 |
16 |
23 |
|
[SO4]D:1503 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
28176 |
72.2 |
-9.9 |
0.867 |
1 |
0 |
0 |
0.139 |
17 |
24 |
|
[SO4]D:1502 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
28176 |
71.0 |
-9.7 |
0.872 |
4 |
0 |
0 |
0.154 |
18 |
25 |
|
[SO4]A:1502 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
28334 |
70.7 |
-9.5 |
0.864 |
4 |
0 |
0 |
0.053 |
19 |
26 |
|
[SO4]B:1503 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
28426 |
69.8 |
-8.5 |
0.902 |
2 |
0 |
0 |
0.045 |
20 |
27 |
|
[SO4]B:1504 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
28426 |
69.7 |
-10.3 |
0.628 |
1 |
0 |
0 |
0.051 |
21 |
28 |
|
[SO4]C:1503 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
28574 |
68.8 |
-8.6 |
0.901 |
2 |
0 |
0 |
0.045 |
22 |
29 |
|
[SO4]A:1503 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
28334 |
68.2 |
-8.8 |
0.888 |
1 |
0 |
0 |
0.044 |
23 |
30 |
|
[UD1]C:1501 |
6 |
1 |
768 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
28334 |
39.5 |
-1.2 |
0.073 |
1 |
0 |
0 |
0.021 |
31 |
|
D |
3 |
2 |
28176 |
◊ |
[UD1]D:1501 |
-y,x-y+1,z |
2_565 |
6 |
1 |
767 |
32.8 |
-1.1 |
0.064 |
1 |
0 |
0 |
0.021 |
32 |
|
[UD1]B:1501 |
4 |
1 |
772 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
28574 |
30.7 |
-0.4 |
0.214 |
1 |
0 |
0 |
0.021 |
33 |
|
[UD1]A:1501 |
4 |
1 |
773 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
28426 |
30.6 |
-0.8 |
0.138 |
0 |
0 |
0 |
0.021 |
Average: |
33.4 |
-0.9 |
0.122 |
1 |
0 |
0 |
0.021 |
24 |
34 |
|
[SO4]D:1504 |
2 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
28574 |
22.6 |
-2.8 |
0.855 |
0 |
0 |
0 |
0.000 |
25 |
35 |
|
B |
2 |
2 |
28426 |
◊ |
B |
x-y,-y,-z |
5_555 |
2 |
2 |
28426 |
18.6 |
0.4 |
0.829 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
D |
2 |
2 |
28176 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
28574 |
13.3 |
-0.0 |
0.561 |
0 |
0 |
0 |
0.000 |
|