## |
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 |
169 |
38 |
8430 |
◊ |
A |
x,y,z |
1_555 |
170 |
39 |
8423 |
1546.1 |
-10.2 |
0.201 |
28 |
5 |
0 |
0.156 |
2 |
2 |
|
D |
164 |
38 |
8462 |
◊ |
C |
x,y,z |
1_555 |
163 |
38 |
8487 |
1451.1 |
-8.0 |
0.259 |
27 |
2 |
0 |
0.153 |
3 |
3 |
|
D |
50 |
14 |
8462 |
◊ |
B |
x,y,z |
1_555 |
58 |
14 |
8430 |
471.4 |
-2.4 |
0.303 |
7 |
0 |
0 |
0.039 |
4 |
|
C |
48 |
13 |
8487 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
56 |
13 |
8423 |
453.7 |
-2.8 |
0.278 |
4 |
0 |
0 |
0.039 |
Average: |
462.5 |
-2.6 |
0.290 |
6 |
0 |
0 |
0.039 |
4 |
5 |
|
C |
52 |
14 |
8487 |
◊ |
A |
x,y,z |
1_555 |
47 |
16 |
8423 |
442.5 |
-3.4 |
0.304 |
4 |
1 |
0 |
0.002 |
5 |
6 |
|
D |
39 |
15 |
8462 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
41 |
16 |
8430 |
349.1 |
-3.6 |
0.244 |
2 |
0 |
0 |
0.037 |
6 |
7 |
|
D |
26 |
7 |
8462 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
29 |
8 |
8430 |
237.7 |
-0.6 |
0.459 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
26 |
6 |
8423 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
26 |
6 |
8487 |
221.5 |
-1.0 |
0.436 |
1 |
0 |
0 |
0.016 |
8 |
9 |
|
[SO4]B:202 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
8430 |
100.1 |
-14.5 |
0.740 |
2 |
0 |
0 |
0.125 |
9 |
10 |
|
[SO4]D:202 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
8462 |
99.2 |
-14.8 |
0.857 |
8 |
0 |
0 |
0.149 |
10 |
11 |
|
[SO4]C:201 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
8487 |
87.7 |
-11.2 |
0.840 |
4 |
0 |
0 |
0.149 |
11 |
12 |
|
[SO4]C:202 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
8462 |
87.1 |
-11.3 |
0.840 |
3 |
0 |
0 |
0.102 |
12 |
13 |
|
[SO4]A:201 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
8423 |
85.6 |
-10.8 |
0.840 |
3 |
0 |
0 |
0.139 |
13 |
14 |
|
[SO4]B:201 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
8430 |
80.5 |
-10.4 |
0.832 |
3 |
0 |
0 |
0.095 |
14 |
15 |
|
[SO4]B:204 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
8430 |
78.4 |
-10.3 |
0.786 |
2 |
0 |
0 |
0.090 |
15 |
16 |
|
[SO4]A:202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
8423 |
75.2 |
-10.1 |
0.792 |
3 |
0 |
0 |
0.131 |
16 |
17 |
|
[SO4]B:203 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
8430 |
71.7 |
-9.7 |
0.787 |
3 |
0 |
0 |
0.090 |
17 |
18 |
|
[SO4]C:203 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
8487 |
70.9 |
-9.4 |
0.756 |
2 |
0 |
0 |
0.118 |
18 |
19 |
|
[SO4]D:201 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
8462 |
70.0 |
-9.5 |
0.760 |
3 |
0 |
0 |
0.087 |
19 |
20 |
|
[SO4]C:204 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
8462 |
69.4 |
-8.2 |
0.840 |
1 |
0 |
0 |
0.070 |
20 |
21 |
|
[SO4]C:205 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
8487 |
69.4 |
-8.5 |
0.861 |
2 |
0 |
0 |
0.108 |
21 |
22 |
|
[SO4]C:204 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
8487 |
62.4 |
-7.3 |
0.833 |
2 |
0 |
0 |
0.062 |
22 |
23 |
|
[SO4]C:202 |
5 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
8487 |
60.1 |
-7.9 |
0.762 |
2 |
0 |
0 |
0.066 |
23 |
24 |
|
[CL]C:207 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
8487 |
59.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.124 |
25 |
|
A |
6 |
3 |
8423 |
◊ |
[CL]C:207 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
125 |
25.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.124 |
Average: |
42.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.124 |
24 |
26 |
|
[NA]C:206 |
1 |
1 |
125 |
f |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
14 |
6 |
8423 |
58.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.082 |
25 |
27 |
|
[SO4]A:201 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
8430 |
58.5 |
-7.3 |
0.770 |
3 |
0 |
0 |
0.058 |
26 |
28 |
|
[SO4]C:201 |
5 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
8462 |
56.0 |
-7.0 |
0.776 |
4 |
0 |
0 |
0.066 |
27 |
29 |
|
[SO4]B:201 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
8423 |
55.1 |
-7.3 |
0.754 |
3 |
0 |
0 |
0.058 |
28 |
30 |
|
[NA]C:206 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
8487 |
50.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.022 |
29 |
31 |
|
A |
4 |
1 |
8423 |
◊ |
[SO4]C:205 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
187 |
45.5 |
-4.9 |
0.932 |
2 |
0 |
0 |
0.066 |
30 |
32 |
|
[NA]D:203 |
1 |
1 |
125 |
f |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
8 |
4 |
8423 |
44.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.076 |
33 |
|
[NA]B:205 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
8430 |
43.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
44.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.076 |
31 |
34 |
|
D |
2 |
1 |
8462 |
◊ |
[SO4]B:204 |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
1 |
187 |
37.5 |
-3.7 |
0.786 |
1 |
0 |
0 |
0.034 |
32 |
35 |
|
[SO4]C:205 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
8462 |
36.5 |
-3.0 |
0.964 |
0 |
0 |
0 |
0.022 |
33 |
36 |
|
[SO4]C:204 |
3 |
1 |
187 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
8430 |
35.7 |
-2.8 |
0.973 |
3 |
0 |
0 |
0.000 |
34 |
37 |
|
[NA]B:205 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
8487 |
35.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.033 |
38 |
|
[NA]D:203 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
8462 |
31.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
33.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.033 |
35 |
39 |
|
[SO4]B:202 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8423 |
29.6 |
-3.1 |
0.914 |
0 |
0 |
0 |
0.021 |
36 |
40 |
|
[SO4]D:201 |
4 |
1 |
186 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
2 |
8430 |
28.8 |
-3.2 |
0.894 |
1 |
0 |
0 |
0.029 |
37 |
41 |
|
[NA]B:205 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
8423 |
28.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.043 |
42 |
|
[NA]D:203 |
1 |
1 |
125 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
2 |
8430 |
28.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
28.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.043 |
38 |
43 |
|
C |
3 |
1 |
8487 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
8462 |
27.7 |
-0.1 |
0.435 |
0 |
0 |
0 |
0.000 |
39 |
44 |
|
[SO4]B:202 |
3 |
1 |
186 |
f |
[SO4]B:201 |
x,y,z |
1_555 |
3 |
1 |
187 |
25.3 |
-5.8 |
0.992 |
0 |
0 |
0 |
0.047 |
40 |
45 |
|
[SO4]C:203 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8423 |
22.3 |
-2.2 |
0.877 |
0 |
0 |
0 |
0.000 |
41 |
46 |
|
[SO4]B:203 |
2 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
8462 |
16.4 |
-2.1 |
0.704 |
0 |
0 |
0 |
0.008 |
42 |
47 |
|
C |
1 |
1 |
8487 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8430 |
14.6 |
-0.5 |
0.237 |
0 |
0 |
0 |
0.003 |
48 |
|
D |
1 |
1 |
8462 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
8423 |
13.5 |
-0.4 |
0.197 |
0 |
0 |
0 |
0.003 |
Average: |
14.0 |
-0.4 |
0.217 |
0 |
0 |
0 |
0.003 |
43 |
49 |
|
B |
2 |
2 |
8430 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
2 |
8423 |
10.4 |
0.2 |
0.679 |
0 |
0 |
0 |
0.000 |
44 |
50 |
|
[SO4]B:203 |
2 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
8423 |
8.2 |
-1.1 |
0.691 |
0 |
0 |
0 |
0.007 |
45 |
51 |
|
[SO4]A:202 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8430 |
7.8 |
-1.0 |
0.657 |
0 |
0 |
0 |
0.007 |
46 |
52 |
|
D |
2 |
1 |
8462 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
8423 |
4.7 |
0.2 |
0.699 |
0 |
0 |
0 |
0.000 |
47 |
53 |
|
[SO4]D:201 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
8487 |
3.8 |
-0.5 |
0.743 |
0 |
0 |
0 |
0.004 |
48 |
54 |
|
C |
1 |
1 |
8487 |
◊ |
[SO4]A:202 |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
185 |
1.2 |
-0.2 |
0.730 |
0 |
0 |
0 |
0.000 |
49 |
55 |
|
[NA]D:203 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
8487 |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|