## |
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 |
171 |
44 |
13010 |
◊ |
A |
x,y,z |
1_555 |
170 |
42 |
12860 |
1783.0 |
-33.0 |
0.001 |
7 |
2 |
0 |
0.381 |
2 |
2 |
|
C |
85 |
25 |
6611 |
◊ |
A |
x,y,z |
1_555 |
106 |
24 |
12860 |
895.8 |
-12.2 |
0.048 |
9 |
3 |
0 |
0.143 |
3 |
|
D |
81 |
22 |
6632 |
◊ |
B |
x,y,z |
1_555 |
103 |
24 |
13010 |
863.8 |
-11.2 |
0.043 |
7 |
2 |
0 |
0.143 |
Average: |
879.8 |
-11.7 |
0.046 |
8 |
3 |
0 |
0.143 |
3 |
4 |
|
D |
44 |
13 |
6632 |
◊ |
B |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
50 |
14 |
13010 |
472.5 |
-3.4 |
0.354 |
3 |
1 |
0 |
0.005 |
5 |
|
A |
48 |
13 |
12860 |
◊ |
C |
-x+3/2,y-1/2,-z-1/2 |
4_644 |
44 |
11 |
6611 |
444.3 |
-4.1 |
0.291 |
3 |
1 |
0 |
0.005 |
Average: |
458.4 |
-3.7 |
0.322 |
3 |
1 |
0 |
0.005 |
4 |
6 |
|
[ADP]A:501 |
27 |
1 |
535 |
f |
A |
x,y,z |
1_555 |
74 |
26 |
12860 |
405.9 |
-6.5 |
0.551 |
10 |
0 |
0 |
0.224 |
7 |
|
[ADP]B:501 |
26 |
1 |
532 |
f |
B |
x,y,z |
1_555 |
72 |
27 |
13010 |
402.5 |
-6.5 |
0.544 |
9 |
0 |
0 |
0.224 |
Average: |
404.2 |
-6.5 |
0.547 |
10 |
0 |
0 |
0.224 |
5 |
8 |
|
A |
37 |
8 |
12860 |
◊ |
B |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
32 |
13 |
13010 |
297.8 |
2.2 |
0.845 |
4 |
0 |
0 |
0.000 |
9 |
|
A |
33 |
13 |
12860 |
◊ |
B |
-x+3/2,y-1/2,-z-1/2 |
4_644 |
36 |
11 |
13010 |
285.3 |
0.8 |
0.732 |
2 |
2 |
0 |
0.000 |
Average: |
291.6 |
1.5 |
0.789 |
3 |
1 |
0 |
0.000 |
6 |
10 |
|
D |
25 |
8 |
6632 |
◊ |
A |
x,y,z |
1_555 |
26 |
10 |
12860 |
230.0 |
1.6 |
0.706 |
1 |
2 |
0 |
0.000 |
11 |
|
C |
23 |
7 |
6611 |
◊ |
B |
x,y,z |
1_555 |
28 |
11 |
13010 |
205.7 |
0.7 |
0.669 |
1 |
0 |
0 |
0.000 |
Average: |
217.8 |
1.2 |
0.688 |
1 |
1 |
0 |
0.000 |
7 |
12 |
|
B |
23 |
5 |
13010 |
◊ |
C |
x-1,y,z |
1_455 |
25 |
8 |
6611 |
218.2 |
-0.9 |
0.485 |
2 |
2 |
0 |
0.000 |
13 |
|
D |
22 |
7 |
6632 |
◊ |
A |
x-1,y,z |
1_455 |
19 |
4 |
12860 |
184.1 |
-1.3 |
0.422 |
2 |
1 |
0 |
0.000 |
Average: |
201.1 |
-1.1 |
0.453 |
2 |
2 |
0 |
0.000 |
8 |
14 |
|
B |
22 |
8 |
13010 |
◊ |
A |
-x+1,y,-z-1 |
2_654 |
24 |
7 |
12860 |
196.0 |
-2.8 |
0.315 |
1 |
0 |
0 |
0.000 |
9 |
15 |
|
A |
11 |
4 |
12860 |
◊ |
A |
-x+1,y,-z-1 |
2_654 |
11 |
4 |
12860 |
109.5 |
-2.2 |
0.211 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
[SO4]D:203 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
6632 |
104.6 |
-14.1 |
0.857 |
3 |
0 |
0 |
0.151 |
11 |
17 |
|
[SO4]C:203 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
6611 |
95.5 |
-12.9 |
0.773 |
2 |
0 |
0 |
0.153 |
12 |
18 |
|
[SO4]A:502 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
12860 |
83.4 |
-11.4 |
0.784 |
2 |
0 |
0 |
0.128 |
13 |
19 |
|
[SO4]D:202 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
6632 |
72.7 |
-10.9 |
0.633 |
4 |
0 |
0 |
0.124 |
14 |
20 |
|
[SO4]C:206 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
6611 |
72.2 |
-10.4 |
0.676 |
3 |
0 |
0 |
0.129 |
15 |
21 |
|
[SO4]C:202 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
6611 |
71.7 |
-10.6 |
0.583 |
4 |
0 |
0 |
0.137 |
16 |
22 |
|
[SO4]B:502 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
6632 |
68.2 |
-10.1 |
0.731 |
2 |
0 |
0 |
0.108 |
17 |
23 |
|
[SO4]C:204 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
6611 |
60.9 |
-9.1 |
0.711 |
2 |
0 |
0 |
0.110 |
18 |
24 |
|
[SO4]C:206 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
13010 |
60.8 |
-7.8 |
0.770 |
1 |
0 |
0 |
0.090 |
19 |
25 |
|
A |
9 |
4 |
12860 |
f |
[SO4]C:205 |
-x+3/2,y-1/2,-z-1/2 |
4_644 |
4 |
1 |
186 |
56.1 |
-7.6 |
0.813 |
1 |
0 |
0 |
0.084 |
20 |
26 |
|
[SO4]D:204 |
4 |
1 |
185 |
f |
B |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
8 |
4 |
13010 |
55.3 |
-7.3 |
0.796 |
1 |
0 |
0 |
0.085 |
21 |
27 |
|
[MG]D:201 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
6632 |
51.3 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.091 |
28 |
|
[MG]C:201 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
6611 |
50.3 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.091 |
Average: |
50.8 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.091 |
22 |
29 |
|
A |
10 |
4 |
12860 |
x |
A |
-x+3/2,y-1/2,-z-1/2 |
4_644 |
5 |
2 |
12860 |
46.9 |
-0.2 |
0.569 |
0 |
0 |
0 |
0.000 |
30 |
|
B |
3 |
3 |
13010 |
x |
B |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
4 |
4 |
13010 |
12.7 |
-0.1 |
0.579 |
0 |
0 |
0 |
0.000 |
Average: |
29.8 |
-0.2 |
0.574 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[SO4]B:502 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
13010 |
46.1 |
-5.3 |
0.753 |
1 |
0 |
0 |
0.056 |
24 |
32 |
|
[SO4]A:503 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
12860 |
46.1 |
-5.6 |
0.909 |
1 |
0 |
0 |
0.063 |
25 |
33 |
|
[SO4]B:503 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
13010 |
45.1 |
-5.3 |
0.938 |
0 |
0 |
0 |
0.052 |
26 |
34 |
|
[SO4]C:204 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
12860 |
44.5 |
-5.5 |
0.559 |
1 |
0 |
0 |
0.046 |
27 |
35 |
|
[SO4]A:503 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
6611 |
42.5 |
-5.2 |
0.783 |
1 |
0 |
0 |
0.044 |
28 |
36 |
|
[SO4]C:204 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
13010 |
42.3 |
-5.4 |
0.468 |
0 |
0 |
0 |
0.060 |
29 |
37 |
|
[SO4]B:503 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
6632 |
41.8 |
-5.0 |
0.813 |
3 |
0 |
0 |
0.062 |
30 |
38 |
|
[SO4]B:502 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
12860 |
38.2 |
-5.2 |
0.341 |
0 |
0 |
0 |
0.018 |
31 |
39 |
|
[SO4]D:202 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
13010 |
34.1 |
-3.9 |
0.660 |
0 |
0 |
0 |
0.039 |
32 |
40 |
|
[SO4]A:503 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
13010 |
32.5 |
-3.7 |
0.882 |
0 |
0 |
0 |
0.039 |
33 |
41 |
|
[SO4]C:205 |
2 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
12860 |
32.5 |
-4.6 |
0.493 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
[SO4]C:202 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
12860 |
32.1 |
-3.1 |
0.901 |
0 |
0 |
0 |
0.024 |
35 |
43 |
|
[SO4]B:503 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
12860 |
31.9 |
-3.5 |
0.884 |
0 |
0 |
0 |
0.012 |
36 |
44 |
|
[SO4]C:205 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
6611 |
30.1 |
-2.7 |
0.952 |
2 |
0 |
0 |
0.002 |
37 |
45 |
|
[SO4]D:204 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
6632 |
27.6 |
-2.2 |
0.953 |
1 |
0 |
0 |
0.001 |
38 |
46 |
|
A |
2 |
2 |
12860 |
◊ |
[SO4]C:206 |
-x+3/2,y-1/2,-z-1/2 |
4_644 |
3 |
1 |
186 |
17.0 |
-2.2 |
0.496 |
0 |
0 |
0 |
0.000 |
39 |
47 |
|
[SO4]C:206 |
3 |
1 |
186 |
f |
[SO4]C:204 |
x,y,z |
1_555 |
3 |
1 |
186 |
12.8 |
-2.9 |
0.992 |
0 |
0 |
0 |
0.032 |
40 |
48 |
|
[MG]C:201 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12860 |
8.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.007 |
49 |
|
[MG]D:201 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13010 |
3.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
5.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.007 |
41 |
50 |
|
[SO4]D:204 |
1 |
1 |
185 |
◊ |
[SO4]B:502 |
x,y,z |
1_555 |
3 |
1 |
186 |
8.1 |
-1.9 |
0.891 |
0 |
0 |
0 |
0.000 |
42 |
51 |
|
[SO4]C:205 |
3 |
1 |
186 |
◊ |
[SO4]C:204 |
x,y,z |
1_555 |
2 |
1 |
186 |
7.6 |
-1.8 |
0.976 |
0 |
0 |
0 |
0.000 |
43 |
52 |
|
[SO4]C:205 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13010 |
6.3 |
-0.7 |
0.803 |
0 |
0 |
0 |
0.000 |
44 |
53 |
|
[SO4]D:204 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13010 |
2.6 |
-0.4 |
0.658 |
0 |
0 |
0 |
0.000 |
|