## |
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 |
179 |
50 |
9446 |
◊ |
C |
-x,-y+1,z |
2_565 |
180 |
50 |
9446 |
1805.3 |
-21.9 |
0.302 |
22 |
0 |
0 |
0.284 |
2 |
|
D |
179 |
48 |
9455 |
◊ |
D |
x,-y+1,-z |
6_565 |
179 |
48 |
9455 |
1804.1 |
-21.1 |
0.293 |
22 |
0 |
0 |
0.284 |
3 |
|
B |
181 |
50 |
9056 |
◊ |
A |
x,y,z |
1_555 |
181 |
49 |
9675 |
1801.2 |
-20.9 |
0.301 |
22 |
0 |
0 |
0.284 |
Average: |
1803.5 |
-21.3 |
0.299 |
22 |
0 |
0 |
0.284 |
2 |
4 |
|
D |
115 |
30 |
9455 |
◊ |
C |
x,y,z |
1_555 |
117 |
29 |
9446 |
1067.1 |
-19.4 |
0.120 |
9 |
4 |
0 |
0.227 |
5 |
|
B |
110 |
30 |
9056 |
◊ |
A |
-y,x,z |
3_555 |
107 |
28 |
9675 |
1025.8 |
-20.2 |
0.065 |
8 |
4 |
0 |
0.227 |
Average: |
1046.4 |
-19.8 |
0.093 |
9 |
4 |
0 |
0.227 |
3 |
6 |
|
D |
67 |
19 |
9455 |
x |
C |
-x,-y+1,z |
2_565 |
58 |
17 |
9446 |
626.2 |
-8.5 |
0.313 |
3 |
0 |
0 |
0.196 |
7 |
|
B |
64 |
19 |
9056 |
x |
B |
-y,x,z |
3_555 |
58 |
17 |
9056 |
626.0 |
-9.0 |
0.254 |
3 |
0 |
0 |
0.196 |
8 |
|
D |
61 |
18 |
9455 |
x |
C |
x,-y+1,-z |
6_565 |
64 |
17 |
9446 |
623.8 |
-8.8 |
0.294 |
3 |
0 |
0 |
0.196 |
9 |
|
A |
59 |
19 |
9675 |
x |
A |
-y,x,z |
3_555 |
66 |
18 |
9675 |
619.1 |
-9.0 |
0.266 |
3 |
0 |
0 |
0.196 |
Average: |
623.8 |
-8.8 |
0.282 |
3 |
0 |
0 |
0.196 |
4 |
10 |
|
C |
64 |
18 |
9446 |
◊ |
A |
x,y,z |
1_555 |
62 |
15 |
9675 |
527.5 |
-4.3 |
0.626 |
3 |
2 |
0 |
0.056 |
11 |
|
D |
52 |
13 |
9455 |
◊ |
D |
y-1,x+1,-z |
7_465 |
52 |
13 |
9455 |
422.6 |
-1.6 |
0.742 |
4 |
2 |
0 |
0.056 |
Average: |
475.1 |
-2.9 |
0.684 |
4 |
2 |
0 |
0.056 |
5 |
12 |
|
B |
27 |
6 |
9056 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
21 |
6 |
9675 |
206.3 |
-2.8 |
0.447 |
3 |
0 |
0 |
0.021 |
6 |
13 |
|
[SO4]D:175 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
20 |
7 |
9455 |
110.6 |
-16.7 |
0.746 |
0 |
0 |
0 |
0.307 |
7 |
14 |
|
[SO4]A:175 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
9675 |
101.7 |
-12.5 |
0.903 |
4 |
0 |
0 |
0.227 |
8 |
15 |
|
[SO4]B:175 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
9056 |
100.6 |
-13.5 |
0.887 |
4 |
0 |
0 |
0.289 |
9 |
16 |
|
[SO4]C:176 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
9446 |
97.4 |
-12.9 |
0.854 |
1 |
0 |
0 |
0.214 |
10 |
17 |
|
B |
13 |
4 |
9056 |
◊ |
B |
y-1/2,x+1/2,-z+1/2 |
15_455 |
13 |
4 |
9056 |
97.0 |
0.6 |
0.787 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
[SO4]C:175 |
5 |
1 |
185 |
f |
D |
-x,-y+1,z |
2_565 |
14 |
6 |
9455 |
96.7 |
-13.3 |
0.846 |
2 |
0 |
0 |
0.261 |
12 |
19 |
|
[SO4]A:177 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
9675 |
88.7 |
-12.1 |
0.867 |
4 |
0 |
0 |
0.220 |
13 |
20 |
|
[SO4]C:179 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
9446 |
88.2 |
-12.1 |
0.873 |
5 |
0 |
0 |
0.230 |
14 |
21 |
|
[SO4]B:177 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
9056 |
85.5 |
-11.2 |
0.892 |
6 |
0 |
0 |
0.262 |
15 |
22 |
|
[SO4]A:178 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
9675 |
82.3 |
-11.6 |
0.708 |
0 |
0 |
0 |
0.184 |
16 |
23 |
|
C |
12 |
4 |
9446 |
◊ |
B |
y-1/2,x+1/2,-z+1/2 |
15_455 |
9 |
5 |
9056 |
74.2 |
-1.2 |
0.479 |
0 |
0 |
0 |
0.006 |
17 |
24 |
|
[SO4]B:176 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
9056 |
57.3 |
-7.7 |
0.681 |
2 |
0 |
0 |
0.162 |
18 |
25 |
|
[SO4]C:178 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
9446 |
57.0 |
-7.4 |
0.683 |
1 |
0 |
0 |
0.126 |
19 |
26 |
|
[SO4]C:177 |
5 |
1 |
187 |
f |
D |
-x,-y+1,z |
2_565 |
6 |
4 |
9455 |
56.7 |
-7.6 |
0.661 |
1 |
0 |
0 |
0.148 |
20 |
27 |
|
[SO4]A:176 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
9675 |
56.7 |
-7.4 |
0.674 |
2 |
0 |
0 |
0.132 |
21 |
28 |
|
[SO4]C:180 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
9446 |
54.4 |
-7.0 |
0.678 |
1 |
0 |
0 |
0.120 |
22 |
29 |
|
[SO4]A:178 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
6 |
5 |
9446 |
51.8 |
-7.5 |
0.589 |
0 |
0 |
0 |
0.071 |
23 |
30 |
|
C |
5 |
1 |
9446 |
◊ |
B |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
3 |
1 |
9056 |
37.5 |
0.5 |
0.783 |
1 |
0 |
0 |
0.000 |
24 |
31 |
|
[SO4]C:180 |
4 |
1 |
184 |
◊ |
C |
-x,-y+1,z |
2_565 |
4 |
2 |
9446 |
29.5 |
-3.5 |
0.664 |
0 |
0 |
0 |
0.056 |
25 |
32 |
|
[SO4]B:176 |
1 |
1 |
186 |
◊ |
B |
-y,x,z |
3_555 |
2 |
1 |
9056 |
13.8 |
-1.1 |
0.861 |
0 |
0 |
0 |
0.021 |
33 |
|
[SO4]C:178 |
1 |
1 |
187 |
◊ |
D |
x,-y+1,-z |
6_565 |
1 |
1 |
9455 |
11.5 |
-0.9 |
0.867 |
0 |
0 |
0 |
0.021 |
Average: |
12.6 |
-1.0 |
0.864 |
0 |
0 |
0 |
0.021 |
26 |
34 |
|
A |
2 |
1 |
9675 |
◊ |
[SO4]A:176 |
-y,x,z |
3_555 |
1 |
1 |
185 |
13.8 |
-1.3 |
0.852 |
0 |
0 |
0 |
0.020 |
27 |
35 |
|
A |
3 |
2 |
9675 |
◊ |
[SO4]A:177 |
-y,x,z |
3_555 |
2 |
1 |
188 |
13.0 |
-1.6 |
0.703 |
0 |
0 |
0 |
0.026 |
28 |
36 |
|
[SO4]C:176 |
3 |
1 |
187 |
◊ |
D |
-x,-y+1,z |
2_565 |
2 |
2 |
9455 |
12.2 |
-1.6 |
0.606 |
0 |
0 |
0 |
0.014 |
29 |
37 |
|
[SO4]C:177 |
1 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
9446 |
11.7 |
-1.0 |
0.869 |
0 |
0 |
0 |
0.009 |
30 |
38 |
|
B |
2 |
2 |
9056 |
◊ |
[SO4]B:175 |
-y,x,z |
3_555 |
4 |
1 |
185 |
11.7 |
-1.4 |
0.612 |
0 |
0 |
0 |
0.026 |
31 |
39 |
|
[SO4]C:179 |
2 |
1 |
186 |
◊ |
D |
x,-y+1,-z |
6_565 |
2 |
1 |
9455 |
11.0 |
-1.5 |
0.617 |
0 |
0 |
0 |
0.014 |
32 |
40 |
|
[SO4]C:175 |
4 |
1 |
185 |
◊ |
C |
-x,y,-z |
5_555 |
2 |
2 |
9446 |
8.9 |
-1.1 |
0.659 |
0 |
0 |
0 |
0.010 |
33 |
41 |
|
[SO4]A:175 |
3 |
1 |
185 |
◊ |
A |
-y,x,z |
3_555 |
2 |
2 |
9675 |
8.1 |
-0.9 |
0.663 |
0 |
0 |
0 |
0.015 |
34 |
42 |
|
[SO4]B:177 |
1 |
1 |
185 |
◊ |
B |
-y,x,z |
3_555 |
1 |
1 |
9056 |
7.8 |
-1.1 |
0.502 |
0 |
0 |
0 |
0.021 |
35 |
43 |
|
[SO4]C:180 |
1 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9675 |
6.6 |
-0.7 |
0.811 |
0 |
0 |
0 |
0.006 |
36 |
44 |
|
[SO4]B:176 |
1 |
1 |
186 |
◊ |
[SO4]B:175 |
-y,x,z |
3_555 |
1 |
1 |
185 |
4.9 |
-1.2 |
0.800 |
0 |
0 |
0 |
0.022 |
37 |
45 |
|
[SO4]C:177 |
1 |
1 |
187 |
◊ |
[SO4]C:176 |
x,y,z |
1_555 |
1 |
1 |
187 |
4.3 |
-1.0 |
1.000 |
0 |
0 |
0 |
0.009 |
38 |
46 |
|
[SO4]A:175 |
1 |
1 |
185 |
◊ |
[SO4]A:176 |
-y,x,z |
3_555 |
1 |
1 |
185 |
3.7 |
-0.9 |
1.000 |
0 |
0 |
0 |
0.014 |
39 |
47 |
|
[SO4]C:178 |
1 |
1 |
187 |
◊ |
[SO4]C:175 |
-x,y,-z |
5_555 |
1 |
1 |
185 |
1.5 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.003 |
|