## |
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 |
158 |
39 |
8737 |
◊ |
A |
x,y,z |
1_555 |
156 |
39 |
8900 |
1482.4 |
-9.1 |
0.362 |
7 |
5 |
0 |
0.161 |
2 |
|
D |
142 |
35 |
8626 |
◊ |
B |
x,y,z |
1_555 |
135 |
31 |
8540 |
1309.0 |
-12.3 |
0.159 |
11 |
2 |
0 |
0.161 |
Average: |
1395.7 |
-10.7 |
0.260 |
9 |
4 |
0 |
0.161 |
2 |
3 |
|
D |
68 |
16 |
8626 |
◊ |
A |
x-1,y,z |
1_455 |
71 |
18 |
8900 |
610.9 |
0.5 |
0.645 |
2 |
5 |
0 |
0.008 |
3 |
4 |
|
B |
63 |
16 |
8540 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
66 |
21 |
8737 |
576.2 |
-0.8 |
0.607 |
2 |
1 |
0 |
0.000 |
5 |
|
B |
52 |
15 |
8540 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
54 |
15 |
8737 |
443.5 |
2.3 |
0.798 |
2 |
5 |
0 |
0.000 |
Average: |
509.8 |
0.8 |
0.703 |
2 |
3 |
0 |
0.000 |
4 |
6 |
|
B |
47 |
15 |
8540 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
43 |
11 |
8900 |
406.7 |
-2.4 |
0.392 |
3 |
3 |
0 |
0.028 |
5 |
7 |
|
D |
38 |
11 |
8626 |
◊ |
A |
x,y,z |
1_555 |
37 |
11 |
8900 |
346.0 |
2.9 |
0.829 |
3 |
7 |
0 |
0.000 |
6 |
8 |
|
C |
33 |
9 |
8737 |
◊ |
A |
x-1,y,z |
1_455 |
43 |
13 |
8900 |
319.6 |
-3.0 |
0.362 |
0 |
0 |
0 |
0.000 |
9 |
|
D |
21 |
6 |
8626 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
4 |
8540 |
136.4 |
-2.1 |
0.293 |
0 |
0 |
0 |
0.000 |
Average: |
228.0 |
-2.5 |
0.327 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
D |
35 |
8 |
8626 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
36 |
12 |
8737 |
299.9 |
-3.0 |
0.320 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
D |
33 |
12 |
8626 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
34 |
13 |
8900 |
293.4 |
1.1 |
0.715 |
2 |
8 |
0 |
0.000 |
12 |
|
B |
32 |
12 |
8540 |
◊ |
C |
x,y-1,z |
1_545 |
28 |
10 |
8737 |
257.0 |
1.4 |
0.779 |
2 |
8 |
0 |
0.000 |
Average: |
275.2 |
1.3 |
0.747 |
2 |
8 |
0 |
0.001 |
9 |
13 |
|
[SO4]D:202 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
20 |
10 |
8626 |
116.4 |
-16.4 |
0.733 |
1 |
0 |
0 |
0.155 |
10 |
14 |
|
[SO4]A:204 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
8900 |
113.1 |
-15.2 |
0.687 |
1 |
0 |
0 |
0.109 |
11 |
15 |
|
[SO4]C:202 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
20 |
10 |
8737 |
109.6 |
-17.2 |
0.648 |
4 |
0 |
0 |
0.117 |
12 |
16 |
|
[SO4]A:201 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
8900 |
108.5 |
-14.9 |
0.569 |
0 |
0 |
0 |
0.104 |
13 |
17 |
|
[SO4]B:203 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
8540 |
106.2 |
-17.0 |
0.663 |
3 |
0 |
0 |
0.169 |
14 |
18 |
|
[PEG]B:204 |
7 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
8540 |
101.9 |
1.7 |
0.241 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
B |
9 |
4 |
8540 |
x |
B |
x-1,y,z |
1_455 |
12 |
3 |
8540 |
100.3 |
-0.5 |
0.493 |
0 |
0 |
0 |
0.000 |
20 |
|
C |
3 |
1 |
8737 |
x |
C |
x-1,y,z |
1_455 |
1 |
1 |
8737 |
6.8 |
-0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
21 |
|
A |
1 |
1 |
8900 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
8900 |
5.4 |
0.1 |
0.772 |
0 |
0 |
0 |
0.000 |
22 |
|
D |
1 |
1 |
8626 |
x |
D |
x-1,y,z |
1_455 |
1 |
1 |
8626 |
0.1 |
0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
Average: |
28.2 |
-0.1 |
0.632 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
[SO4]C:203 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
8737 |
99.7 |
-13.1 |
0.910 |
3 |
0 |
0 |
0.089 |
17 |
24 |
|
[SO4]B:202 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
8540 |
98.7 |
-12.8 |
0.893 |
3 |
0 |
0 |
0.130 |
18 |
25 |
|
[PEG]D:204 |
6 |
1 |
260 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
8626 |
98.1 |
3.1 |
0.405 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
[SO4]A:207 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
8900 |
95.0 |
-12.7 |
0.816 |
0 |
0 |
0 |
0.088 |
20 |
27 |
|
[SO4]A:203 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
8900 |
94.2 |
-12.8 |
0.879 |
2 |
0 |
0 |
0.096 |
21 |
28 |
|
[SO4]D:201 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
8626 |
90.6 |
-12.5 |
0.808 |
2 |
0 |
0 |
0.124 |
22 |
29 |
|
[SO4]B:201 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
8540 |
89.5 |
-12.9 |
0.692 |
3 |
0 |
0 |
0.132 |
23 |
30 |
|
[SO4]A:205 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
8900 |
87.9 |
-13.6 |
0.681 |
2 |
0 |
0 |
0.101 |
24 |
31 |
|
[PEG]B:205 |
6 |
1 |
256 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
8540 |
87.1 |
2.2 |
0.327 |
1 |
0 |
0 |
0.000 |
25 |
32 |
|
[SO4]D:203 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
8626 |
85.9 |
-12.9 |
0.672 |
0 |
0 |
0 |
0.119 |
26 |
33 |
|
[SO4]C:201 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
8737 |
84.4 |
-11.8 |
0.732 |
1 |
0 |
0 |
0.076 |
27 |
34 |
|
[SO4]A:202 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
2 |
8900 |
72.9 |
-9.2 |
0.914 |
2 |
0 |
0 |
0.070 |
28 |
35 |
|
[SO4]A:206 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
8900 |
63.1 |
-8.6 |
0.665 |
1 |
0 |
0 |
0.063 |
29 |
36 |
|
D |
11 |
3 |
8626 |
◊ |
[SO4]A:207 |
x-1,y,z |
1_455 |
5 |
1 |
185 |
58.7 |
-7.3 |
0.852 |
0 |
0 |
0 |
0.051 |
30 |
37 |
|
B |
12 |
2 |
8540 |
◊ |
[SO4]A:201 |
-x+1,y-1/2,-z-1/2 |
3_644 |
5 |
1 |
187 |
52.3 |
-6.8 |
0.649 |
0 |
0 |
0 |
0.045 |
31 |
38 |
|
[SO4]A:206 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
8626 |
46.3 |
-5.0 |
0.771 |
0 |
0 |
0 |
0.000 |
32 |
39 |
|
[SO4]C:201 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
8900 |
43.7 |
-4.6 |
0.975 |
2 |
0 |
0 |
0.034 |
33 |
40 |
|
[SO4]A:205 |
5 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
8737 |
42.4 |
-5.0 |
0.952 |
2 |
0 |
0 |
0.036 |
34 |
41 |
|
[SO4]B:201 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
8626 |
41.4 |
-4.3 |
0.960 |
2 |
0 |
0 |
0.048 |
35 |
42 |
|
B |
2 |
1 |
8540 |
◊ |
[SO4]A:202 |
-x+1,y-1/2,-z-1/2 |
3_644 |
4 |
1 |
186 |
39.8 |
-4.5 |
0.676 |
0 |
0 |
0 |
0.030 |
36 |
43 |
|
B |
3 |
3 |
8540 |
◊ |
[SO4]C:203 |
x,y-1,z |
1_545 |
4 |
1 |
184 |
34.0 |
-3.3 |
0.968 |
0 |
0 |
0 |
0.003 |
37 |
44 |
|
[SO4]D:203 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8540 |
33.8 |
-3.5 |
0.935 |
0 |
0 |
0 |
0.033 |
38 |
45 |
|
D |
3 |
1 |
8626 |
◊ |
[SO4]A:202 |
x-1,y,z |
1_455 |
3 |
1 |
186 |
29.6 |
-3.3 |
0.935 |
1 |
0 |
0 |
0.026 |
39 |
46 |
|
[SO4]B:202 |
3 |
1 |
185 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
3 |
8737 |
27.9 |
-2.6 |
0.967 |
0 |
0 |
0 |
0.003 |
40 |
47 |
|
B |
3 |
1 |
8540 |
◊ |
[SO4]C:201 |
-x+1,y-1/2,-z-1/2 |
3_644 |
3 |
1 |
186 |
26.4 |
-3.8 |
0.429 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
[PEG]B:205 |
2 |
1 |
256 |
f |
[PEG]B:204 |
x,y,z |
1_555 |
2 |
1 |
257 |
26.3 |
1.1 |
0.305 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
[SO4]D:201 |
4 |
1 |
184 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
4 |
3 |
8900 |
24.7 |
-2.0 |
0.953 |
0 |
0 |
0 |
0.000 |
43 |
50 |
|
B |
1 |
1 |
8540 |
◊ |
[SO4]C:202 |
-x+1,y-1/2,-z-1/2 |
3_644 |
2 |
1 |
186 |
24.4 |
-2.1 |
0.969 |
0 |
0 |
0 |
0.000 |
44 |
51 |
|
[SO4]B:201 |
3 |
1 |
187 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
8737 |
23.4 |
-3.4 |
0.387 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
D |
4 |
3 |
8626 |
◊ |
[SO4]A:203 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
185 |
21.8 |
-2.0 |
0.940 |
0 |
0 |
0 |
0.000 |
46 |
53 |
|
A |
3 |
1 |
8900 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
3 |
1 |
8737 |
17.3 |
0.4 |
0.774 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
[SO4]B:202 |
1 |
1 |
185 |
◊ |
[SO4]C:203 |
x,y-1,z |
1_545 |
1 |
1 |
184 |
17.2 |
-4.1 |
0.800 |
0 |
0 |
0 |
0.004 |
48 |
55 |
|
[SO4]D:201 |
2 |
1 |
184 |
◊ |
[SO4]A:203 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
185 |
13.4 |
-3.2 |
0.960 |
0 |
0 |
0 |
0.000 |
49 |
56 |
|
[SO4]B:203 |
3 |
1 |
186 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
2 |
8737 |
13.3 |
-1.7 |
0.763 |
0 |
0 |
0 |
0.000 |
50 |
57 |
|
[SO4]D:202 |
1 |
1 |
185 |
◊ |
[SO4]A:206 |
x,y,z |
1_555 |
1 |
1 |
185 |
6.8 |
-1.6 |
0.800 |
0 |
0 |
0 |
0.000 |
51 |
58 |
|
[SO4]A:204 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8626 |
6.4 |
-0.9 |
0.489 |
0 |
0 |
0 |
0.000 |
52 |
59 |
|
[SO4]D:203 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8900 |
5.5 |
-0.4 |
0.831 |
0 |
0 |
0 |
0.000 |
53 |
60 |
|
[SO4]A:202 |
1 |
1 |
186 |
f |
[SO4]A:201 |
x,y,z |
1_555 |
1 |
1 |
187 |
3.5 |
-0.8 |
1.000 |
0 |
0 |
0 |
0.006 |
|