## |
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 |
249 |
66 |
15707 |
◊ |
A |
x,y,z |
1_555 |
248 |
67 |
15766 |
2254.0 |
-16.5 |
0.185 |
18 |
6 |
0 |
0.191 |
2 |
2 |
|
A |
103 |
27 |
15766 |
◊ |
A |
x,x-y-1,-z+1/6 |
12_545 |
104 |
27 |
15766 |
903.8 |
0.4 |
0.733 |
6 |
0 |
0 |
0.000 |
3 |
3 |
|
E |
66 |
6 |
2623 |
◊ |
B |
x,y,z |
1_555 |
78 |
22 |
15707 |
577.3 |
-3.7 |
0.621 |
6 |
0 |
0 |
0.087 |
4 |
4 |
|
C |
63 |
6 |
2733 |
◊ |
A |
x,y,z |
1_555 |
75 |
23 |
15766 |
574.7 |
-3.3 |
0.571 |
8 |
0 |
0 |
0.082 |
5 |
5 |
|
F |
54 |
11 |
2633 |
◊ |
E |
x,y,z |
1_555 |
57 |
10 |
2623 |
520.1 |
-5.1 |
0.634 |
25 |
0 |
0 |
1.000 |
6 |
|
D |
52 |
11 |
2643 |
◊ |
C |
x,y,z |
1_555 |
57 |
9 |
2733 |
517.1 |
-4.7 |
0.599 |
25 |
0 |
0 |
1.000 |
Average: |
518.6 |
-4.9 |
0.616 |
25 |
0 |
0 |
1.000 |
6 |
7 |
|
F |
38 |
8 |
2633 |
◊ |
B |
x,y,z |
1_555 |
39 |
14 |
15707 |
322.4 |
-2.0 |
0.651 |
5 |
0 |
0 |
0.058 |
8 |
|
D |
33 |
7 |
2643 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
15766 |
297.5 |
-0.9 |
0.680 |
4 |
0 |
0 |
0.058 |
Average: |
310.0 |
-1.4 |
0.666 |
5 |
0 |
0 |
0.058 |
7 |
9 |
|
B |
35 |
10 |
15707 |
◊ |
A |
x-y-1,-y-1,-z |
8_445 |
30 |
9 |
15766 |
302.5 |
-2.5 |
0.318 |
2 |
0 |
0 |
0.027 |
8 |
10 |
|
A |
31 |
11 |
15766 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
32 |
11 |
15766 |
273.9 |
0.7 |
0.706 |
4 |
0 |
0 |
0.007 |
9 |
11 |
|
[5CM]E:6 |
20 |
1 |
439 |
◊ |
B |
x,y,z |
1_555 |
44 |
16 |
15707 |
261.4 |
1.5 |
0.454 |
8 |
0 |
0 |
0.030 |
12 |
|
[5CM]C:6 |
20 |
1 |
434 |
◊ |
A |
x,y,z |
1_555 |
45 |
16 |
15766 |
259.7 |
1.1 |
0.409 |
8 |
0 |
0 |
0.030 |
Average: |
260.6 |
1.3 |
0.431 |
8 |
0 |
0 |
0.030 |
10 |
13 |
|
B |
24 |
6 |
15707 |
◊ |
E |
x-y-1,-y-1,-z |
8_445 |
25 |
3 |
2623 |
190.2 |
-0.1 |
0.645 |
2 |
0 |
0 |
0.000 |
11 |
14 |
|
B |
24 |
6 |
15707 |
◊ |
B |
x-y,-y,-z |
8_555 |
24 |
6 |
15707 |
166.2 |
1.0 |
0.747 |
2 |
0 |
0 |
0.000 |
12 |
15 |
|
B |
22 |
8 |
15707 |
◊ |
A |
x-y,-y,-z |
8_555 |
18 |
7 |
15766 |
159.1 |
-1.3 |
0.370 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
B |
22 |
6 |
15707 |
◊ |
F |
x-y-1,-y-1,-z |
8_445 |
16 |
2 |
2633 |
142.4 |
-1.9 |
0.481 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[5CM]E:6 |
12 |
1 |
439 |
cf |
E |
x,y,z |
1_555 |
13 |
2 |
2623 |
112.3 |
0.1 |
0.429 |
0 |
0 |
0 |
0.000 |
18 |
|
[5CM]C:6 |
12 |
1 |
434 |
cf |
C |
x,y,z |
1_555 |
12 |
2 |
2733 |
111.6 |
0.1 |
0.405 |
0 |
0 |
0 |
0.000 |
Average: |
112.0 |
0.1 |
0.417 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
D |
13 |
1 |
2643 |
◊ |
E |
x-y,x,z+1/6 |
6_555 |
13 |
1 |
2623 |
98.7 |
1.6 |
0.734 |
0 |
0 |
0 |
0.000 |
20 |
|
C |
13 |
1 |
2733 |
◊ |
F |
x-y,x,z+1/6 |
6_555 |
13 |
1 |
2633 |
92.3 |
1.7 |
0.737 |
0 |
0 |
0 |
0.000 |
Average: |
95.5 |
1.6 |
0.736 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[SO4]A:403 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
15766 |
95.6 |
-14.0 |
0.715 |
2 |
0 |
0 |
0.192 |
17 |
22 |
|
[SO4]B:403 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
15707 |
92.2 |
-13.1 |
0.750 |
2 |
0 |
0 |
0.191 |
18 |
23 |
|
B |
13 |
5 |
15707 |
x |
B |
x-y-1,-y-1,-z |
8_445 |
13 |
5 |
15707 |
90.3 |
1.0 |
0.743 |
0 |
3 |
0 |
0.000 |
19 |
24 |
|
[SO4]B:404 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
15707 |
81.1 |
-10.3 |
0.904 |
2 |
0 |
0 |
0.153 |
20 |
25 |
|
[SO4]A:406 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
15766 |
78.5 |
-10.3 |
0.900 |
4 |
0 |
0 |
0.155 |
21 |
26 |
|
[SO4]A:405 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
15766 |
68.3 |
-8.3 |
0.894 |
2 |
0 |
0 |
0.118 |
22 |
27 |
|
[SO4]B:401 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
15707 |
66.6 |
-8.9 |
0.883 |
1 |
0 |
0 |
0.127 |
23 |
28 |
|
[SO4]B:402 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
15707 |
66.5 |
-8.5 |
0.878 |
2 |
0 |
0 |
0.128 |
24 |
29 |
|
[SO4]A:402 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
15766 |
65.8 |
-8.7 |
0.889 |
3 |
0 |
0 |
0.129 |
25 |
30 |
|
[SO4]A:404 |
5 |
1 |
185 |
f |
[SO4]A:404 |
x,x-y,-z+1/6 |
12_555 |
5 |
1 |
185 |
63.0 |
-13.3 |
0.993 |
0 |
0 |
0 |
0.100 |
26 |
31 |
|
[SO4]A:404 |
5 |
1 |
185 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
6 |
3 |
15766 |
55.9 |
-7.3 |
0.493 |
3 |
0 |
0 |
0.111 |
27 |
32 |
|
[SO4]A:404 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
15766 |
55.0 |
-7.3 |
0.499 |
3 |
0 |
0 |
0.111 |
28 |
33 |
|
C |
6 |
1 |
2733 |
◊ |
E |
x-y,x,z+1/6 |
6_555 |
6 |
1 |
2623 |
54.9 |
0.5 |
0.590 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[CL]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
15766 |
52.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.091 |
30 |
35 |
|
[SO4]A:402 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
15707 |
40.5 |
-5.2 |
0.571 |
0 |
0 |
0 |
0.039 |
31 |
36 |
|
[SO4]B:401 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
15766 |
36.5 |
-5.4 |
0.341 |
0 |
0 |
0 |
0.041 |
32 |
37 |
|
[SO4]A:406 |
2 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
2643 |
15.4 |
-2.6 |
0.560 |
0 |
0 |
0 |
0.031 |
33 |
38 |
|
E |
1 |
1 |
2623 |
◊ |
A |
x-y,-y,-z |
8_555 |
3 |
1 |
15766 |
13.9 |
-0.9 |
0.259 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[SO4]B:402 |
1 |
1 |
183 |
◊ |
A |
x-y-1,-y-1,-z |
8_445 |
1 |
1 |
15766 |
11.4 |
-1.6 |
0.392 |
0 |
0 |
0 |
0.012 |
35 |
40 |
|
B |
1 |
1 |
15707 |
◊ |
[CL]A:401 |
x-y-1,-y-1,-z |
8_445 |
1 |
1 |
125 |
9.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.005 |
36 |
41 |
|
D |
1 |
1 |
2643 |
◊ |
F |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
2633 |
4.5 |
0.2 |
0.540 |
0 |
0 |
0 |
0.000 |
37 |
42 |
|
[SO4]B:404 |
1 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
2633 |
4.1 |
-0.7 |
0.433 |
0 |
0 |
0 |
0.010 |
38 |
43 |
|
D |
1 |
1 |
2643 |
◊ |
A |
x,x-y-1,-z+1/6 |
12_545 |
1 |
1 |
15766 |
1.8 |
0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
|