## |
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 |
175 |
50 |
16850 |
◊ |
A |
x,y,z |
1_555 |
145 |
33 |
16194 |
1472.0 |
-15.3 |
0.216 |
20 |
13 |
0 |
0.423 |
2 |
|
E |
174 |
50 |
16771 |
◊ |
D |
x,y,z |
1_555 |
147 |
35 |
16287 |
1451.3 |
-15.0 |
0.167 |
19 |
12 |
0 |
0.423 |
Average: |
1461.6 |
-15.1 |
0.191 |
20 |
13 |
0 |
0.423 |
2 |
3 |
|
D |
114 |
33 |
16287 |
◊ |
A |
x,y,z |
1_555 |
110 |
33 |
16194 |
1015.3 |
-5.0 |
0.703 |
15 |
2 |
0 |
0.100 |
3 |
4 |
|
D |
59 |
17 |
16287 |
◊ |
E |
-x-1,y-1/2,-z-1 |
2_444 |
54 |
18 |
16771 |
499.9 |
-3.9 |
0.423 |
4 |
2 |
0 |
0.000 |
5 |
|
B |
54 |
18 |
16850 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
54 |
16 |
16194 |
499.5 |
-4.7 |
0.396 |
4 |
0 |
0 |
0.000 |
Average: |
499.7 |
-4.3 |
0.410 |
4 |
1 |
0 |
0.000 |
4 |
6 |
|
D |
46 |
12 |
16287 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
57 |
20 |
16194 |
486.5 |
-3.7 |
0.488 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
[ANP]E:401 |
31 |
1 |
607 |
f |
E |
x,y,z |
1_555 |
67 |
29 |
16771 |
461.3 |
-3.1 |
0.501 |
11 |
0 |
0 |
0.133 |
8 |
|
[ANP]B:401 |
31 |
1 |
605 |
f |
B |
x,y,z |
1_555 |
66 |
29 |
16850 |
459.5 |
-3.4 |
0.506 |
11 |
0 |
0 |
0.133 |
Average: |
460.4 |
-3.2 |
0.503 |
11 |
0 |
0 |
0.133 |
6 |
9 |
|
E |
49 |
14 |
16771 |
x |
E |
-x-1,y-1/2,-z-1 |
2_444 |
46 |
16 |
16771 |
434.1 |
1.1 |
0.760 |
4 |
2 |
0 |
0.000 |
10 |
|
B |
46 |
16 |
16850 |
x |
B |
-x,y-1/2,-z |
2_545 |
47 |
14 |
16850 |
424.7 |
0.4 |
0.753 |
3 |
2 |
0 |
0.000 |
Average: |
429.4 |
0.7 |
0.756 |
4 |
2 |
0 |
0.000 |
7 |
11 |
|
E |
32 |
13 |
16771 |
◊ |
A |
x,y,z |
1_555 |
46 |
13 |
16194 |
318.8 |
-2.7 |
0.375 |
3 |
3 |
0 |
0.050 |
12 |
|
B |
33 |
13 |
16850 |
◊ |
D |
x,y,z |
1_555 |
44 |
14 |
16287 |
317.6 |
-2.7 |
0.380 |
2 |
3 |
0 |
0.050 |
Average: |
318.2 |
-2.7 |
0.377 |
3 |
3 |
0 |
0.050 |
8 |
13 |
|
[SO4]B:403 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
16850 |
79.7 |
-11.7 |
0.743 |
4 |
0 |
0 |
0.181 |
9 |
14 |
|
[NA]B:404 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
16850 |
70.3 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.167 |
15 |
|
[NA]E:403 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
16 |
7 |
16771 |
69.7 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.167 |
Average: |
70.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.167 |
10 |
16 |
|
[SO4]E:402 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
12 |
4 |
16771 |
68.8 |
-9.4 |
0.825 |
4 |
0 |
0 |
0.187 |
11 |
17 |
|
[SO4]B:402 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
16850 |
67.2 |
-9.3 |
0.809 |
4 |
0 |
0 |
0.149 |
12 |
18 |
|
[SO4]B:402 |
5 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
11 |
6 |
16287 |
52.0 |
-6.8 |
0.802 |
2 |
0 |
0 |
0.045 |
13 |
19 |
|
[SO4]E:402 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
16194 |
51.3 |
-6.7 |
0.813 |
2 |
0 |
0 |
0.045 |
14 |
20 |
|
[SO4]B:402 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
16194 |
36.2 |
-4.7 |
0.767 |
1 |
0 |
0 |
0.069 |
15 |
21 |
|
[SO4]E:402 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
16287 |
35.1 |
-4.6 |
0.742 |
1 |
0 |
0 |
0.084 |
16 |
22 |
|
D |
3 |
1 |
16287 |
◊ |
[NA]E:403 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
125 |
25.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
|
[NA]B:404 |
1 |
1 |
125 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
3 |
1 |
16194 |
24.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
25.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
D |
5 |
1 |
16287 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
2 |
16850 |
24.5 |
-0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
B |
2 |
2 |
16850 |
◊ |
E |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
2 |
16771 |
13.5 |
0.2 |
0.734 |
0 |
0 |
0 |
0.000 |
26 |
|
B |
2 |
2 |
16850 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
2 |
2 |
16771 |
5.0 |
0.1 |
0.694 |
0 |
0 |
0 |
0.000 |
Average: |
9.3 |
0.1 |
0.714 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
E |
1 |
1 |
16771 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16850 |
13.3 |
0.6 |
0.906 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[ANP]B:401 |
1 |
1 |
605 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16194 |
5.3 |
-0.4 |
0.277 |
0 |
0 |
0 |
0.006 |
29 |
|
[ANP]E:401 |
1 |
1 |
607 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
16287 |
5.0 |
-0.3 |
0.260 |
0 |
0 |
0 |
0.006 |
Average: |
5.1 |
-0.4 |
0.269 |
0 |
0 |
0 |
0.006 |
|