## |
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 |
|
L |
200 |
55 |
11428 |
◊ |
H |
x,y,z |
1_555 |
177 |
50 |
11426 |
1709.3 |
-23.4 |
0.057 |
17 |
3 |
0 |
0.646 |
2 |
|
B |
196 |
55 |
11513 |
◊ |
A |
x,y,z |
1_555 |
180 |
46 |
11388 |
1694.1 |
-24.8 |
0.045 |
16 |
2 |
0 |
0.646 |
Average: |
1701.7 |
-24.1 |
0.051 |
17 |
3 |
0 |
0.646 |
2 |
3 |
|
C |
39 |
8 |
1350 |
◊ |
H |
x,y,z |
1_555 |
56 |
15 |
11426 |
422.7 |
-4.6 |
0.260 |
10 |
0 |
0 |
0.879 |
4 |
|
D |
38 |
8 |
1350 |
◊ |
A |
x,y,z |
1_555 |
55 |
15 |
11388 |
391.0 |
-4.1 |
0.289 |
10 |
0 |
0 |
0.879 |
Average: |
406.8 |
-4.4 |
0.274 |
10 |
0 |
0 |
0.879 |
3 |
5 |
|
H |
40 |
12 |
11426 |
◊ |
A |
x,y,z |
1_555 |
36 |
13 |
11388 |
342.9 |
-1.0 |
0.683 |
3 |
0 |
0 |
0.000 |
4 |
6 |
|
A |
37 |
12 |
11388 |
◊ |
H |
x,y-1,z |
1_545 |
39 |
15 |
11426 |
341.7 |
-1.6 |
0.643 |
4 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
33 |
8 |
11513 |
◊ |
H |
x,y-1,z |
1_545 |
33 |
15 |
11426 |
328.7 |
0.2 |
0.683 |
7 |
0 |
0 |
0.000 |
6 |
8 |
|
A |
35 |
11 |
11388 |
◊ |
H |
-x+3,y-1/2,-z+1/2 |
3_845 |
36 |
12 |
11426 |
325.8 |
-2.2 |
0.580 |
4 |
0 |
0 |
0.000 |
7 |
9 |
|
B |
32 |
12 |
11513 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
32 |
9 |
11388 |
304.8 |
-0.8 |
0.636 |
6 |
0 |
0 |
0.000 |
10 |
|
L |
24 |
7 |
11428 |
◊ |
H |
x-1/2,-y+1/2,-z+1 |
4_456 |
26 |
6 |
11426 |
237.1 |
-1.7 |
0.479 |
2 |
0 |
0 |
0.000 |
Average: |
270.9 |
-1.2 |
0.558 |
4 |
0 |
0 |
0.000 |
8 |
11 |
|
B |
24 |
9 |
11513 |
◊ |
D |
x-1/2,-y-1/2,-z+1 |
4_446 |
29 |
6 |
1350 |
242.9 |
-0.7 |
0.339 |
4 |
0 |
0 |
0.000 |
12 |
|
L |
23 |
9 |
11428 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
27 |
7 |
1350 |
242.3 |
-1.0 |
0.325 |
4 |
0 |
0 |
0.000 |
Average: |
242.6 |
-0.8 |
0.332 |
4 |
0 |
0 |
0.000 |
9 |
13 |
|
C |
21 |
5 |
1350 |
◊ |
L |
x,y,z |
1_555 |
26 |
9 |
11428 |
177.4 |
-1.4 |
0.401 |
1 |
0 |
0 |
0.029 |
10 |
14 |
|
D |
17 |
5 |
1350 |
◊ |
B |
x,y,z |
1_555 |
25 |
9 |
11513 |
145.7 |
-0.4 |
0.515 |
2 |
0 |
0 |
0.021 |
11 |
15 |
|
[GOL]A:301 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
11388 |
139.5 |
0.6 |
0.697 |
6 |
0 |
0 |
0.121 |
16 |
|
[GOL]H:302 |
6 |
1 |
223 |
f |
H |
x,y,z |
1_555 |
19 |
8 |
11426 |
129.4 |
0.5 |
0.668 |
4 |
0 |
0 |
0.121 |
Average: |
134.4 |
0.6 |
0.683 |
5 |
0 |
0 |
0.121 |
12 |
17 |
|
[GOL]L:303 |
6 |
1 |
219 |
f |
L |
x,y,z |
1_555 |
21 |
11 |
11428 |
137.2 |
-0.1 |
0.611 |
5 |
0 |
0 |
0.047 |
13 |
18 |
|
[GOL]B:301 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
11513 |
126.7 |
-1.0 |
0.454 |
3 |
0 |
0 |
0.100 |
14 |
19 |
|
B |
12 |
5 |
11513 |
◊ |
H |
x,y,z |
1_555 |
13 |
3 |
11426 |
100.1 |
-1.3 |
0.417 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
[SO4]L:301 |
5 |
1 |
187 |
f |
L |
x,y,z |
1_555 |
13 |
5 |
11428 |
87.1 |
-12.3 |
0.863 |
4 |
0 |
0 |
0.280 |
16 |
21 |
|
A |
12 |
5 |
11388 |
f |
[SO4]H:301 |
x,y-1,z |
1_545 |
5 |
1 |
185 |
80.2 |
-11.5 |
0.833 |
4 |
0 |
0 |
0.557 |
17 |
22 |
|
[GOL]L:304 |
5 |
1 |
218 |
f |
L |
x,y,z |
1_555 |
17 |
7 |
11428 |
78.1 |
-0.1 |
0.626 |
2 |
0 |
0 |
0.019 |
18 |
23 |
|
[GOL]L:302 |
6 |
1 |
223 |
f |
L |
x,y,z |
1_555 |
11 |
4 |
11428 |
78.0 |
0.3 |
0.608 |
1 |
0 |
0 |
0.003 |
19 |
24 |
|
L |
9 |
2 |
11428 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
11388 |
67.8 |
-0.4 |
0.547 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[SO4]H:301 |
5 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
10 |
7 |
11426 |
66.2 |
-8.9 |
0.916 |
4 |
0 |
0 |
0.000 |
21 |
26 |
|
L |
5 |
2 |
11428 |
◊ |
[GOL]L:302 |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
223 |
36.1 |
0.6 |
0.718 |
1 |
0 |
0 |
0.000 |
22 |
27 |
|
B |
3 |
2 |
11513 |
◊ |
H |
-x+3,y-1/2,-z+1/2 |
3_845 |
3 |
1 |
11426 |
35.9 |
0.2 |
0.495 |
1 |
0 |
0 |
0.000 |
28 |
|
A |
4 |
1 |
11388 |
◊ |
L |
-x+3,y-1/2,-z+1/2 |
3_845 |
1 |
1 |
11428 |
29.5 |
-0.9 |
0.125 |
0 |
0 |
0 |
0.000 |
Average: |
32.7 |
-0.4 |
0.310 |
1 |
0 |
0 |
0.000 |
23 |
29 |
|
L |
2 |
1 |
11428 |
◊ |
[SO4]L:301 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
187 |
27.4 |
-2.9 |
0.725 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[SO4]L:301 |
3 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
1350 |
26.1 |
-3.6 |
0.695 |
0 |
0 |
0 |
0.056 |
25 |
31 |
|
L |
2 |
1 |
11428 |
x |
L |
x-1/2,-y+1/2,-z+1 |
4_456 |
6 |
2 |
11428 |
23.8 |
0.6 |
0.670 |
0 |
0 |
0 |
0.000 |
32 |
|
B |
1 |
1 |
11513 |
x |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
4 |
1 |
11513 |
17.6 |
0.6 |
0.705 |
0 |
0 |
0 |
0.000 |
Average: |
20.7 |
0.6 |
0.687 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
B |
6 |
2 |
11513 |
◊ |
L |
x,y-1,z |
1_545 |
8 |
4 |
11428 |
21.4 |
0.2 |
0.658 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
A |
1 |
1 |
11388 |
◊ |
L |
x,y-1,z |
1_545 |
1 |
1 |
11428 |
14.9 |
-0.1 |
0.385 |
0 |
0 |
0 |
0.000 |
28 |
35 |
|
B |
1 |
1 |
11513 |
◊ |
L |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
11428 |
3.8 |
0.1 |
0.740 |
0 |
0 |
0 |
0.000 |
|