## |
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 |
103 |
27 |
11715 |
◊ |
A |
x,y,z |
1_555 |
111 |
26 |
11842 |
1070.6 |
-6.5 |
0.454 |
16 |
7 |
0 |
0.292 |
2 |
2 |
|
C |
80 |
22 |
11609 |
◊ |
B |
x,y,z |
1_555 |
86 |
26 |
11715 |
822.1 |
-15.9 |
0.031 |
2 |
0 |
0 |
0.314 |
3 |
|
D |
79 |
23 |
11647 |
◊ |
A |
x,y,z |
1_555 |
83 |
25 |
11842 |
810.0 |
-15.8 |
0.033 |
2 |
0 |
0 |
0.314 |
Average: |
816.1 |
-15.8 |
0.032 |
2 |
0 |
0 |
0.314 |
3 |
4 |
|
C |
62 |
17 |
11609 |
◊ |
D |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
63 |
17 |
11647 |
609.7 |
-3.1 |
0.556 |
7 |
1 |
0 |
0.000 |
4 |
5 |
|
D |
46 |
14 |
11647 |
◊ |
B |
x,y,z |
1_555 |
47 |
14 |
11715 |
439.3 |
-7.4 |
0.152 |
4 |
0 |
0 |
0.128 |
6 |
|
C |
42 |
13 |
11609 |
◊ |
A |
x,y,z |
1_555 |
44 |
15 |
11842 |
432.4 |
-7.2 |
0.138 |
3 |
0 |
0 |
0.128 |
Average: |
435.8 |
-7.3 |
0.145 |
4 |
0 |
0 |
0.128 |
5 |
7 |
|
B |
22 |
8 |
11715 |
x |
B |
-y,x-y,z |
2_555 |
36 |
10 |
11715 |
298.1 |
-0.8 |
0.568 |
0 |
2 |
0 |
0.000 |
8 |
|
A |
33 |
11 |
11842 |
x |
A |
-y,x-y,z |
2_555 |
22 |
7 |
11842 |
268.3 |
0.0 |
0.682 |
3 |
7 |
0 |
0.000 |
Average: |
283.2 |
-0.4 |
0.625 |
2 |
5 |
0 |
0.000 |
6 |
9 |
|
A |
19 |
4 |
11842 |
x |
A |
-y+1,x-y,z |
2_655 |
11 |
4 |
11842 |
128.1 |
-0.4 |
0.535 |
1 |
0 |
0 |
0.000 |
10 |
|
B |
11 |
4 |
11715 |
x |
B |
-y+1,x-y+1,z |
2_665 |
19 |
4 |
11715 |
126.9 |
-0.7 |
0.498 |
0 |
0 |
0 |
0.000 |
Average: |
127.5 |
-0.5 |
0.516 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
B |
14 |
8 |
11715 |
◊ |
A |
-y,x-y,z |
2_555 |
15 |
9 |
11842 |
111.7 |
1.2 |
0.775 |
2 |
2 |
0 |
0.000 |
8 |
12 |
|
[BEF]B:301 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
11715 |
92.9 |
2.5 |
0.591 |
5 |
0 |
0 |
0.000 |
9 |
13 |
|
[BEF]D:301 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
11647 |
92.6 |
2.5 |
0.612 |
7 |
0 |
0 |
0.011 |
14 |
|
[BEF]C:301 |
4 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
11609 |
92.1 |
2.5 |
0.608 |
6 |
0 |
0 |
0.011 |
Average: |
92.3 |
2.5 |
0.610 |
7 |
0 |
0 |
0.011 |
10 |
15 |
|
[BEF]A:301 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
11842 |
91.5 |
2.4 |
0.593 |
5 |
0 |
0 |
0.000 |
11 |
16 |
|
[SO4]B:302 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
11715 |
70.9 |
-8.3 |
0.958 |
2 |
0 |
0 |
0.182 |
12 |
17 |
|
[SO4]C:302 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
11609 |
67.9 |
-7.6 |
0.960 |
3 |
0 |
0 |
0.167 |
13 |
18 |
|
[SO4]A:302 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
11842 |
67.1 |
-8.0 |
0.952 |
1 |
0 |
0 |
0.167 |
14 |
19 |
|
[SO4]D:302 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
11647 |
61.6 |
-8.2 |
0.841 |
2 |
0 |
0 |
0.171 |
15 |
20 |
|
[MG]D:300 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
11647 |
44.3 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.131 |
21 |
|
[MG]C:300 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
11609 |
43.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.131 |
Average: |
43.7 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.131 |
16 |
22 |
|
[MG]B:300 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
11715 |
43.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.276 |
23 |
|
[MG]A:300 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
11842 |
43.0 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.276 |
Average: |
43.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.276 |
17 |
24 |
|
[BEF]C:301 |
2 |
1 |
181 |
f |
[MG]C:300 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.092 |
25 |
|
[BEF]D:301 |
2 |
1 |
182 |
f |
[MG]D:300 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.092 |
26 |
|
[BEF]B:301 |
2 |
1 |
182 |
f |
[MG]B:300 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.092 |
27 |
|
[BEF]A:301 |
2 |
1 |
182 |
f |
[MG]A:300 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
27.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.092 |
18 |
28 |
|
[SO4]A:302 |
1 |
1 |
186 |
◊ |
A |
-y+1,x-y,z |
2_655 |
1 |
1 |
11842 |
0.4 |
-0.0 |
0.829 |
0 |
0 |
0 |
0.000 |
|