## |
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 |
|
D |
148 |
37 |
10199 |
◊ |
C |
x,y,z |
1_555 |
150 |
37 |
10071 |
1495.8 |
-18.4 |
0.035 |
23 |
9 |
0 |
0.796 |
2 |
|
B |
150 |
36 |
10110 |
◊ |
A |
x,y,z |
1_555 |
152 |
38 |
10184 |
1476.4 |
-17.0 |
0.054 |
23 |
9 |
0 |
0.796 |
Average: |
1486.1 |
-17.7 |
0.044 |
23 |
9 |
0 |
0.796 |
2 |
3 |
|
[COA]B:602 |
47 |
1 |
909 |
f |
B |
x,y,z |
1_555 |
80 |
24 |
10110 |
613.4 |
2.0 |
0.618 |
12 |
0 |
0 |
0.204 |
4 |
|
[COA]A:601 |
46 |
1 |
915 |
f |
A |
x,y,z |
1_555 |
85 |
26 |
10184 |
604.5 |
2.7 |
0.575 |
15 |
0 |
0 |
0.204 |
5 |
|
[COA]C:603 |
45 |
1 |
901 |
f |
C |
x,y,z |
1_555 |
80 |
24 |
10071 |
599.4 |
2.2 |
0.612 |
12 |
0 |
0 |
0.204 |
6 |
|
[COA]D:604 |
46 |
1 |
920 |
f |
D |
x,y,z |
1_555 |
84 |
26 |
10199 |
595.7 |
1.1 |
0.419 |
13 |
0 |
0 |
0.204 |
Average: |
603.3 |
2.0 |
0.556 |
13 |
0 |
0 |
0.204 |
3 |
7 |
|
D |
65 |
19 |
10199 |
◊ |
B |
x,y-1,z |
1_545 |
66 |
17 |
10110 |
543.6 |
-5.9 |
0.140 |
1 |
1 |
0 |
0.090 |
8 |
|
C |
51 |
15 |
10071 |
◊ |
A |
x,y-1,z |
1_545 |
59 |
19 |
10184 |
490.1 |
-6.5 |
0.137 |
1 |
1 |
0 |
0.090 |
Average: |
516.8 |
-6.2 |
0.138 |
1 |
1 |
0 |
0.090 |
4 |
9 |
|
C |
56 |
17 |
10071 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
59 |
17 |
10110 |
471.2 |
-4.6 |
0.335 |
0 |
0 |
0 |
0.000 |
5 |
10 |
|
D |
55 |
13 |
10199 |
◊ |
A |
x,y,z |
1_555 |
54 |
12 |
10184 |
460.1 |
-1.4 |
0.524 |
4 |
2 |
0 |
0.000 |
6 |
11 |
|
C |
34 |
9 |
10071 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
39 |
10 |
10199 |
313.5 |
-0.1 |
0.625 |
2 |
2 |
0 |
0.000 |
12 |
|
A |
38 |
10 |
10184 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
32 |
9 |
10110 |
307.6 |
0.4 |
0.650 |
1 |
1 |
0 |
0.000 |
Average: |
310.6 |
0.2 |
0.637 |
2 |
2 |
0 |
0.000 |
7 |
13 |
|
D |
32 |
9 |
10199 |
◊ |
A |
-x+1,y-1/2,-z+3/2 |
3_646 |
32 |
9 |
10184 |
278.8 |
0.4 |
0.655 |
1 |
0 |
0 |
0.000 |
8 |
14 |
|
C |
23 |
6 |
10071 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
23 |
6 |
10199 |
225.1 |
0.2 |
0.639 |
1 |
4 |
0 |
0.000 |
9 |
15 |
|
A |
22 |
7 |
10184 |
◊ |
B |
x-1/2,-y+5/2,-z+1 |
4_476 |
23 |
6 |
10110 |
204.0 |
-0.8 |
0.527 |
2 |
1 |
0 |
0.000 |
10 |
16 |
|
D |
20 |
6 |
10199 |
◊ |
B |
x-1/2,-y+5/2,-z+1 |
4_476 |
24 |
6 |
10110 |
199.4 |
-0.1 |
0.559 |
1 |
0 |
0 |
0.000 |
17 |
|
C |
20 |
7 |
10071 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
21 |
8 |
10184 |
196.3 |
-0.5 |
0.482 |
2 |
0 |
0 |
0.000 |
Average: |
197.9 |
-0.3 |
0.520 |
2 |
0 |
0 |
0.000 |
11 |
18 |
|
D |
24 |
9 |
10199 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
21 |
6 |
10110 |
189.3 |
0.7 |
0.711 |
1 |
0 |
0 |
0.000 |
19 |
|
C |
21 |
6 |
10071 |
◊ |
A |
-x+1,y-1/2,-z+3/2 |
3_646 |
23 |
8 |
10184 |
174.6 |
0.6 |
0.678 |
2 |
1 |
0 |
0.000 |
Average: |
181.9 |
0.7 |
0.695 |
2 |
1 |
0 |
0.000 |
12 |
20 |
|
C |
16 |
5 |
10071 |
◊ |
B |
x,y-1,z |
1_545 |
17 |
6 |
10110 |
160.7 |
0.0 |
0.606 |
3 |
0 |
0 |
0.009 |
13 |
21 |
|
D |
18 |
4 |
10199 |
◊ |
A |
x,y-1,z |
1_545 |
19 |
4 |
10184 |
147.5 |
0.6 |
0.651 |
3 |
2 |
0 |
0.007 |
14 |
22 |
|
C |
13 |
5 |
10071 |
◊ |
B |
x-1,y-1,z |
1_445 |
12 |
5 |
10110 |
122.4 |
2.6 |
0.916 |
3 |
0 |
0 |
0.000 |
15 |
23 |
|
A |
18 |
5 |
10184 |
x |
A |
x-1/2,-y+5/2,-z+1 |
4_476 |
12 |
3 |
10184 |
120.5 |
-0.6 |
0.492 |
0 |
0 |
0 |
0.000 |
24 |
|
D |
8 |
3 |
10199 |
x |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
11 |
5 |
10199 |
91.1 |
1.6 |
0.840 |
3 |
2 |
0 |
0.000 |
Average: |
105.8 |
0.5 |
0.666 |
2 |
1 |
0 |
0.000 |
16 |
25 |
|
[SO4]C:904 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
10071 |
80.0 |
-11.6 |
0.705 |
2 |
0 |
0 |
0.133 |
17 |
26 |
|
[SO4]C:902 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
10071 |
66.7 |
-9.4 |
0.833 |
3 |
0 |
0 |
0.115 |
18 |
27 |
|
[SO4]C:900 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
10199 |
63.7 |
-8.9 |
0.807 |
4 |
0 |
0 |
0.114 |
19 |
28 |
|
[SO4]C:901 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
10071 |
61.7 |
-7.5 |
0.931 |
1 |
0 |
0 |
0.085 |
20 |
29 |
|
[SO4]D:903 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
10199 |
50.6 |
-6.8 |
0.710 |
1 |
0 |
0 |
0.078 |
21 |
30 |
|
[SO4]C:901 |
4 |
1 |
186 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
8 |
5 |
10184 |
50.5 |
-6.6 |
0.740 |
1 |
0 |
0 |
0.000 |
22 |
31 |
|
[SO4]D:903 |
4 |
1 |
187 |
◊ |
B |
x-1/2,-y+5/2,-z+1 |
4_476 |
5 |
2 |
10110 |
49.2 |
-5.9 |
0.808 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[SO4]C:900 |
3 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
10071 |
36.4 |
-2.9 |
0.979 |
2 |
0 |
0 |
0.040 |
24 |
33 |
|
[SO4]C:902 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
10199 |
32.2 |
-2.6 |
0.978 |
1 |
0 |
0 |
0.033 |
25 |
34 |
|
[SO4]C:901 |
3 |
1 |
186 |
◊ |
A |
x,y-1,z |
1_545 |
2 |
1 |
10184 |
29.1 |
-4.1 |
0.372 |
0 |
0 |
0 |
0.027 |
26 |
35 |
|
[SO4]C:900 |
2 |
1 |
187 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
1 |
10199 |
21.2 |
-2.6 |
0.833 |
1 |
0 |
0 |
0.000 |
27 |
36 |
|
[SO4]D:903 |
1 |
1 |
187 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
1 |
10199 |
16.3 |
-2.3 |
0.454 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
[COA]C:603 |
2 |
1 |
901 |
◊ |
[COA]B:602 |
x-1,y-1,z |
1_445 |
1 |
1 |
909 |
2.4 |
-0.1 |
0.300 |
0 |
0 |
0 |
0.000 |
29 |
38 |
|
[SO4]C:904 |
1 |
1 |
185 |
◊ |
B |
x-1,y-1,z |
1_445 |
1 |
1 |
10110 |
0.5 |
-0.1 |
0.768 |
0 |
0 |
0 |
0.000 |
|