## |
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 |
139 |
33 |
8799 |
◊ |
A |
x,y,z |
1_555 |
133 |
32 |
8500 |
1370.5 |
-11.8 |
0.588 |
31 |
6 |
0 |
0.524 |
2 |
|
D |
135 |
33 |
8376 |
◊ |
C |
x,y,z |
1_555 |
125 |
32 |
8836 |
1310.4 |
-12.3 |
0.506 |
28 |
6 |
0 |
0.524 |
Average: |
1340.4 |
-12.0 |
0.547 |
30 |
6 |
0 |
0.524 |
2 |
3 |
|
D |
95 |
24 |
8376 |
◊ |
B |
x,y,z |
1_555 |
104 |
27 |
8799 |
976.7 |
-9.8 |
0.520 |
17 |
0 |
0 |
0.434 |
4 |
|
C |
89 |
23 |
8836 |
◊ |
A |
x,y,z |
1_555 |
92 |
25 |
8500 |
909.6 |
-9.2 |
0.460 |
16 |
0 |
0 |
0.434 |
Average: |
943.1 |
-9.5 |
0.490 |
17 |
0 |
0 |
0.434 |
3 |
5 |
|
A |
79 |
26 |
8500 |
◊ |
C |
-y+3/2,x+1/2,z-1/4 |
3_654 |
77 |
21 |
8836 |
650.3 |
-8.0 |
0.457 |
8 |
1 |
0 |
0.328 |
6 |
|
B |
62 |
17 |
8799 |
◊ |
D |
-y+3/2,x+3/2,z-1/4 |
3_664 |
69 |
23 |
8376 |
579.4 |
-7.2 |
0.486 |
8 |
0 |
0 |
0.328 |
Average: |
614.8 |
-7.6 |
0.471 |
8 |
1 |
0 |
0.328 |
4 |
7 |
|
D |
54 |
13 |
8376 |
◊ |
A |
x,y,z |
1_555 |
50 |
12 |
8500 |
484.6 |
-8.8 |
0.280 |
6 |
0 |
0 |
0.145 |
8 |
|
C |
54 |
13 |
8836 |
◊ |
B |
x,y,z |
1_555 |
52 |
13 |
8799 |
474.5 |
-8.5 |
0.191 |
6 |
0 |
0 |
0.145 |
Average: |
479.6 |
-8.7 |
0.236 |
6 |
0 |
0 |
0.145 |
5 |
9 |
|
[PCP]B:301 |
19 |
1 |
483 |
f |
B |
x,y,z |
1_555 |
42 |
18 |
8799 |
269.0 |
-8.7 |
0.766 |
14 |
0 |
0 |
0.412 |
10 |
|
[PCP]C:302 |
19 |
1 |
485 |
f |
C |
x,y,z |
1_555 |
43 |
18 |
8836 |
266.2 |
-8.1 |
0.763 |
15 |
0 |
0 |
0.412 |
Average: |
267.6 |
-8.4 |
0.765 |
15 |
0 |
0 |
0.412 |
6 |
11 |
|
[XAN]B:304 |
11 |
1 |
276 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
8799 |
156.0 |
2.6 |
0.402 |
3 |
0 |
0 |
0.000 |
12 |
|
[XAN]C:303 |
11 |
1 |
275 |
f |
C |
x,y,z |
1_555 |
26 |
10 |
8836 |
155.0 |
2.5 |
0.362 |
3 |
0 |
0 |
0.000 |
Average: |
155.5 |
2.5 |
0.382 |
3 |
0 |
0 |
0.000 |
7 |
13 |
|
B |
14 |
4 |
8799 |
◊ |
A |
x-1/2,-y+5/2,-z+1/4 |
6_475 |
13 |
4 |
8500 |
101.3 |
-1.5 |
0.472 |
0 |
0 |
0 |
0.000 |
8 |
14 |
|
C |
11 |
3 |
8836 |
◊ |
D |
-x+1/2,y-1/2,-z+3/4 |
5_545 |
9 |
4 |
8376 |
92.5 |
-1.5 |
0.357 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
A |
12 |
3 |
8500 |
◊ |
A |
y-1,x+1,-z |
7_465 |
12 |
3 |
8500 |
91.7 |
0.5 |
0.805 |
2 |
0 |
0 |
0.000 |
10 |
16 |
|
[BO3]A:306 |
4 |
1 |
168 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
8500 |
81.7 |
0.7 |
0.451 |
3 |
0 |
0 |
0.100 |
11 |
17 |
|
[BO3]D:305 |
4 |
1 |
167 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
8376 |
76.9 |
0.6 |
0.455 |
2 |
0 |
0 |
0.100 |
12 |
18 |
|
[XAN]C:303 |
7 |
1 |
275 |
f |
[PCP]C:302 |
x,y,z |
1_555 |
10 |
1 |
485 |
56.3 |
1.2 |
0.219 |
0 |
0 |
0 |
0.000 |
19 |
|
[XAN]B:304 |
4 |
1 |
276 |
f |
[PCP]B:301 |
x,y,z |
1_555 |
9 |
1 |
483 |
54.0 |
1.2 |
0.557 |
0 |
0 |
0 |
0.000 |
Average: |
55.2 |
1.2 |
0.388 |
0 |
0 |
0 |
0.000 |
13 |
20 |
|
B |
10 |
2 |
8799 |
◊ |
[BO3]D:305 |
-y+3/2,x+3/2,z-1/4 |
3_664 |
4 |
1 |
167 |
55.1 |
-0.0 |
0.395 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
[BO3]A:306 |
4 |
1 |
168 |
◊ |
C |
-y+3/2,x+1/2,z-1/4 |
3_654 |
8 |
2 |
8836 |
52.4 |
-0.2 |
0.368 |
0 |
0 |
0 |
0.005 |
15 |
22 |
|
B |
4 |
2 |
8799 |
◊ |
C |
x-1/2,-y+5/2,-z+1/4 |
6_475 |
6 |
2 |
8836 |
51.7 |
1.1 |
0.834 |
1 |
1 |
0 |
0.000 |
16 |
23 |
|
[PCP]B:301 |
6 |
1 |
483 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8500 |
46.3 |
-0.4 |
0.860 |
1 |
0 |
0 |
0.017 |
24 |
|
[PCP]C:302 |
2 |
1 |
485 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
8376 |
10.4 |
-0.6 |
0.597 |
0 |
0 |
0 |
0.017 |
Average: |
28.3 |
-0.5 |
0.729 |
1 |
0 |
0 |
0.017 |
17 |
25 |
|
[PCP]C:302 |
8 |
1 |
485 |
f |
[MG]C:307 |
x,y,z |
1_555 |
1 |
1 |
98 |
39.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.174 |
26 |
|
[PCP]B:301 |
6 |
1 |
483 |
f |
[MG]B:308 |
x,y,z |
1_555 |
1 |
1 |
98 |
38.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.174 |
Average: |
38.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.174 |
18 |
27 |
|
A |
3 |
1 |
8500 |
◊ |
B |
-y+3/2,x+1/2,z-1/4 |
3_654 |
6 |
1 |
8799 |
36.7 |
-1.0 |
0.338 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
B |
4 |
1 |
8799 |
◊ |
C |
-y+3/2,x+1/2,z-1/4 |
3_654 |
3 |
1 |
8836 |
36.0 |
0.8 |
0.868 |
2 |
2 |
0 |
0.000 |
20 |
29 |
|
[MG]C:307 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
8836 |
33.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.107 |
30 |
|
[MG]B:308 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
8799 |
33.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.107 |
Average: |
33.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.107 |
21 |
31 |
|
A |
2 |
1 |
8500 |
◊ |
[PCP]C:302 |
-y+3/2,x+1/2,z-1/4 |
3_654 |
3 |
1 |
485 |
11.5 |
-0.8 |
0.528 |
0 |
0 |
0 |
0.021 |
32 |
|
[PCP]B:301 |
3 |
1 |
483 |
◊ |
D |
-y+3/2,x+3/2,z-1/4 |
3_664 |
2 |
1 |
8376 |
10.6 |
-0.7 |
0.550 |
0 |
0 |
0 |
0.021 |
Average: |
11.0 |
-0.7 |
0.539 |
0 |
0 |
0 |
0.021 |
22 |
33 |
|
[MG]B:308 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8500 |
1.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
|