## |
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 |
248 |
55 |
11916 |
◊ |
B |
x,y,z |
1_555 |
247 |
55 |
11977 |
2374.0 |
-37.3 |
0.070 |
24 |
4 |
0 |
0.523 |
2 |
|
C |
239 |
53 |
12020 |
◊ |
A |
x,y,z |
1_555 |
236 |
53 |
11981 |
2298.0 |
-40.5 |
0.026 |
22 |
0 |
0 |
0.523 |
Average: |
2336.0 |
-38.9 |
0.048 |
23 |
2 |
0 |
0.523 |
2 |
3 |
|
B |
193 |
47 |
11977 |
◊ |
A |
x,y,z |
1_555 |
185 |
43 |
11981 |
1926.9 |
-14.4 |
0.601 |
28 |
11 |
0 |
0.428 |
4 |
|
D |
192 |
47 |
11916 |
◊ |
C |
x,y,z |
1_555 |
190 |
43 |
12020 |
1922.4 |
-12.8 |
0.641 |
28 |
11 |
0 |
0.428 |
Average: |
1924.6 |
-13.6 |
0.621 |
28 |
11 |
0 |
0.428 |
3 |
5 |
|
C |
93 |
20 |
12020 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
92 |
20 |
11981 |
817.4 |
1.7 |
0.924 |
18 |
6 |
0 |
0.051 |
4 |
6 |
|
C |
63 |
18 |
12020 |
◊ |
B |
x-y,x-1,z-1/6 |
2_544 |
70 |
22 |
11977 |
619.1 |
-1.1 |
0.795 |
6 |
0 |
0 |
0.000 |
7 |
|
D |
66 |
18 |
11916 |
◊ |
A |
x-y+1,x,z-1/6 |
2_654 |
59 |
18 |
11981 |
594.4 |
-1.9 |
0.730 |
6 |
0 |
0 |
0.000 |
Average: |
606.7 |
-1.5 |
0.763 |
6 |
0 |
0 |
0.000 |
5 |
8 |
|
B |
28 |
7 |
11977 |
x |
B |
x-y,x-1,z-1/6 |
2_544 |
24 |
8 |
11977 |
204.2 |
1.7 |
0.864 |
5 |
8 |
0 |
0.000 |
9 |
|
D |
23 |
8 |
11916 |
x |
D |
x-y+1,x,z-1/6 |
2_654 |
27 |
7 |
11916 |
203.8 |
1.7 |
0.868 |
5 |
8 |
0 |
0.000 |
Average: |
204.0 |
1.7 |
0.866 |
5 |
8 |
0 |
0.000 |
6 |
10 |
|
D |
13 |
4 |
11916 |
◊ |
B |
x-y,x-1,z-1/6 |
2_544 |
18 |
4 |
11977 |
144.3 |
-1.8 |
0.432 |
0 |
0 |
0 |
0.000 |
11 |
|
D |
16 |
4 |
11916 |
◊ |
B |
x-y+1,x,z-1/6 |
2_654 |
11 |
4 |
11977 |
143.0 |
-1.7 |
0.404 |
0 |
0 |
0 |
0.000 |
Average: |
143.7 |
-1.8 |
0.418 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
C |
16 |
6 |
12020 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
11977 |
108.9 |
0.7 |
0.779 |
0 |
0 |
0 |
0.000 |
13 |
|
D |
17 |
8 |
11916 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
11981 |
102.1 |
0.6 |
0.764 |
0 |
0 |
0 |
0.000 |
Average: |
105.5 |
0.7 |
0.772 |
0 |
0 |
0 |
0.000 |
8 |
14 |
|
[SO4]C:1200 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
12020 |
97.6 |
-12.5 |
0.915 |
5 |
0 |
0 |
0.224 |
9 |
15 |
|
[SO4]A:1199 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
11981 |
95.0 |
-12.2 |
0.919 |
5 |
0 |
0 |
0.217 |
10 |
16 |
|
[SO4]B:1199 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
11916 |
91.0 |
-12.4 |
0.594 |
0 |
0 |
0 |
0.189 |
11 |
17 |
|
[SO4]D:1199 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
11977 |
89.1 |
-12.1 |
0.590 |
0 |
0 |
0 |
0.183 |
12 |
18 |
|
[SO4]A:1200 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
12020 |
87.0 |
-11.7 |
0.573 |
0 |
0 |
0 |
0.178 |
13 |
19 |
|
[SO4]C:1199 |
5 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
12020 |
84.9 |
-10.5 |
0.851 |
1 |
0 |
0 |
0.088 |
14 |
20 |
|
[SO4]C:1199 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
11981 |
84.2 |
-11.4 |
0.560 |
0 |
0 |
0 |
0.171 |
15 |
21 |
|
[SO4]A:1200 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
11981 |
83.2 |
-10.2 |
0.782 |
0 |
0 |
0 |
0.082 |
16 |
22 |
|
B |
9 |
2 |
11977 |
◊ |
A |
x-y,x-1,z-1/6 |
2_544 |
10 |
3 |
11981 |
82.5 |
-0.1 |
0.614 |
0 |
0 |
0 |
0.000 |
23 |
|
C |
10 |
3 |
12020 |
◊ |
D |
x-y+1,x,z-1/6 |
2_654 |
10 |
2 |
11916 |
81.7 |
-0.1 |
0.608 |
0 |
0 |
0 |
0.000 |
Average: |
82.1 |
-0.1 |
0.611 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
[SO4]D:1199 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
11916 |
79.0 |
-9.7 |
0.861 |
0 |
0 |
0 |
0.105 |
18 |
25 |
|
[SO4]B:1199 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
11977 |
76.7 |
-9.5 |
0.857 |
1 |
0 |
0 |
0.107 |
19 |
26 |
|
C |
6 |
1 |
12020 |
◊ |
A |
x,y-1,z |
1_545 |
6 |
1 |
11981 |
33.4 |
0.3 |
0.736 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
C |
1 |
1 |
12020 |
◊ |
[SO4]A:1199 |
x-y,x,z-1/6 |
2_554 |
3 |
1 |
184 |
13.1 |
-1.6 |
0.456 |
0 |
0 |
0 |
0.011 |
21 |
28 |
|
[SO4]C:1200 |
4 |
1 |
184 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
1 |
1 |
11981 |
11.0 |
-1.2 |
0.483 |
0 |
0 |
0 |
0.008 |
22 |
29 |
|
C |
1 |
1 |
12020 |
x |
C |
x,y-1,z |
1_545 |
1 |
1 |
12020 |
3.7 |
0.1 |
0.788 |
0 |
0 |
0 |
0.000 |
30 |
|
A |
1 |
1 |
11981 |
x |
A |
x,y-1,z |
1_545 |
1 |
1 |
11981 |
3.6 |
0.1 |
0.789 |
0 |
0 |
0 |
0.000 |
Average: |
3.6 |
0.1 |
0.789 |
0 |
0 |
0 |
0.000 |
|