## |
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 |
91 |
22 |
6612 |
◊ |
A |
x,y,z |
1_555 |
80 |
20 |
6183 |
772.1 |
0.3 |
0.539 |
9 |
9 |
0 |
0.045 |
2 |
|
D |
86 |
21 |
5684 |
◊ |
C |
x,y,z |
1_555 |
90 |
22 |
6638 |
769.1 |
4.2 |
0.770 |
7 |
11 |
0 |
0.045 |
Average: |
770.6 |
2.2 |
0.654 |
8 |
10 |
0 |
0.045 |
2 |
3 |
|
C |
63 |
17 |
6638 |
◊ |
B |
x,y,z |
1_555 |
48 |
15 |
6612 |
494.6 |
-1.7 |
0.390 |
7 |
0 |
0 |
0.000 |
4 |
|
B |
57 |
16 |
6612 |
◊ |
C |
x,y,z-1 |
1_554 |
47 |
13 |
6638 |
484.2 |
-2.5 |
0.353 |
7 |
0 |
0 |
0.000 |
Average: |
489.4 |
-2.1 |
0.372 |
7 |
0 |
0 |
0.000 |
3 |
5 |
|
B |
25 |
10 |
6612 |
x |
B |
x-1,y,z |
1_455 |
13 |
5 |
6612 |
205.7 |
1.6 |
0.633 |
2 |
4 |
0 |
0.000 |
4 |
6 |
|
B |
14 |
4 |
6612 |
◊ |
C |
x-1,y,z-1 |
1_454 |
13 |
5 |
6638 |
135.4 |
1.5 |
0.714 |
0 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
12 |
4 |
6183 |
x |
A |
x-1,y,z |
1_455 |
15 |
5 |
6183 |
134.7 |
0.2 |
0.585 |
0 |
0 |
0 |
0.000 |
6 |
8 |
|
[SO4]B:205 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
6612 |
109.1 |
-15.6 |
0.822 |
7 |
0 |
0 |
0.166 |
7 |
9 |
|
[SO4]C:204 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
6638 |
108.3 |
-15.7 |
0.735 |
4 |
0 |
0 |
0.134 |
8 |
10 |
|
[SO4]C:203 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
6638 |
104.3 |
-14.1 |
0.874 |
5 |
0 |
0 |
0.125 |
9 |
11 |
|
[SO4]A:201 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
6183 |
101.9 |
-16.1 |
0.743 |
6 |
0 |
0 |
0.166 |
10 |
12 |
|
[SO4]D:201 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
21 |
8 |
5684 |
101.7 |
-15.5 |
0.738 |
4 |
0 |
0 |
0.132 |
11 |
13 |
|
[SO4]B:202 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
6612 |
98.4 |
-14.7 |
0.741 |
5 |
0 |
0 |
0.150 |
12 |
14 |
|
[SO4]C:202 |
5 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
6638 |
93.9 |
-14.4 |
0.714 |
6 |
0 |
0 |
0.130 |
13 |
15 |
|
[SO4]B:203 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
6183 |
78.4 |
-8.9 |
0.893 |
1 |
0 |
0 |
0.083 |
14 |
16 |
|
[SO4]C:201 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
5684 |
77.7 |
-9.3 |
0.774 |
1 |
0 |
0 |
0.074 |
15 |
17 |
|
[SO4]B:204 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
6612 |
76.7 |
-9.2 |
0.931 |
4 |
0 |
0 |
0.000 |
16 |
18 |
|
[SO4]B:201 |
5 |
1 |
186 |
f |
C |
x,y,z-1 |
1_554 |
7 |
3 |
6638 |
73.3 |
-8.7 |
0.885 |
4 |
0 |
0 |
0.080 |
17 |
19 |
|
[CL]B:208 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
6612 |
70.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.064 |
18 |
20 |
|
[SO4]B:203 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
6612 |
68.8 |
-8.3 |
0.862 |
2 |
0 |
0 |
0.082 |
19 |
21 |
|
[SO4]C:201 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
6638 |
61.8 |
-7.1 |
0.844 |
2 |
0 |
0 |
0.061 |
20 |
22 |
|
[CL]B:206 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
6612 |
59.3 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.056 |
21 |
23 |
|
B |
7 |
3 |
6612 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
3 |
6183 |
54.8 |
-0.0 |
0.533 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
[CL]B:207 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
6612 |
52.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.056 |
23 |
25 |
|
[CL]C:206 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
6638 |
51.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.050 |
26 |
|
[CL]C:205 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
6612 |
43.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
47.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.050 |
24 |
27 |
|
[CL]B:209 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
6612 |
50.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[CL]B:209 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
6638 |
48.9 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.049 |
26 |
29 |
|
[CL]D:202 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
6638 |
46.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.033 |
27 |
30 |
|
[CL]D:202 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
5684 |
44.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.034 |
28 |
31 |
|
B |
4 |
2 |
6612 |
◊ |
[CL]C:206 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
43.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
|
[CL]C:205 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
6638 |
36.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
40.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
[SO4]B:201 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
6612 |
42.5 |
-4.3 |
0.887 |
1 |
0 |
0 |
0.000 |
30 |
34 |
|
[CL]B:207 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
6638 |
32.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[SO4]A:201 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6612 |
31.0 |
-2.9 |
0.936 |
1 |
0 |
0 |
0.030 |
32 |
36 |
|
B |
4 |
2 |
6612 |
◊ |
[SO4]C:203 |
x,y,z-1 |
1_554 |
3 |
1 |
186 |
25.0 |
-3.0 |
0.719 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[SO4]B:202 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
6183 |
24.9 |
-2.0 |
0.959 |
1 |
0 |
0 |
0.022 |
34 |
38 |
|
[CL]B:206 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
6638 |
24.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
39 |
|
[SO4]C:202 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
5684 |
20.2 |
-1.7 |
0.949 |
1 |
0 |
0 |
0.016 |
36 |
40 |
|
[SO4]B:203 |
3 |
1 |
184 |
◊ |
[SO4]B:202 |
x,y,z |
1_555 |
3 |
1 |
184 |
17.1 |
-4.0 |
0.992 |
0 |
0 |
0 |
0.036 |
37 |
41 |
|
[CL]D:202 |
1 |
1 |
125 |
f |
[SO4]C:201 |
x,y,z |
1_555 |
1 |
1 |
186 |
17.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.029 |
38 |
42 |
|
[SO4]C:202 |
1 |
1 |
183 |
◊ |
[SO4]C:201 |
x,y,z |
1_555 |
3 |
1 |
186 |
16.5 |
-3.9 |
0.891 |
0 |
0 |
0 |
0.030 |
39 |
43 |
|
B |
2 |
1 |
6612 |
◊ |
[SO4]B:205 |
x-1,y,z |
1_455 |
2 |
1 |
185 |
14.1 |
-1.9 |
0.554 |
0 |
0 |
0 |
0.000 |
40 |
44 |
|
[CL]B:208 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
6638 |
7.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
45 |
|
[CL]D:202 |
1 |
1 |
125 |
f |
[SO4]D:201 |
x,y,z |
1_555 |
2 |
1 |
185 |
6.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.012 |
42 |
46 |
|
C |
1 |
1 |
6638 |
x |
C |
x-1,y,z |
1_455 |
1 |
1 |
6638 |
4.1 |
0.1 |
0.716 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
[SO4]D:201 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6638 |
4.1 |
-0.6 |
0.639 |
0 |
0 |
0 |
0.004 |
44 |
48 |
|
[CL]B:208 |
1 |
1 |
125 |
f |
[SO4]B:204 |
x,y,z |
1_555 |
1 |
1 |
184 |
3.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
49 |
|
[SO4]B:205 |
1 |
1 |
185 |
f |
[SO4]B:204 |
x,y,z |
1_555 |
1 |
1 |
184 |
2.6 |
-0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
46 |
50 |
|
[SO4]B:201 |
1 |
1 |
186 |
f |
[SO4]C:203 |
x,y,z-1 |
1_554 |
2 |
1 |
186 |
2.5 |
-0.6 |
1.000 |
0 |
0 |
0 |
0.004 |
47 |
51 |
|
[CL]B:209 |
1 |
1 |
125 |
◊ |
[CL]B:208 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
52 |
|
[SO4]B:201 |
1 |
1 |
186 |
◊ |
C |
x-1,y,z-1 |
1_454 |
1 |
1 |
6638 |
1.1 |
-0.1 |
0.822 |
0 |
0 |
0 |
0.000 |
|