| ## |
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 |
179 |
50 |
12251 |
◊ |
A |
x,y,z |
1_555 |
189 |
51 |
11750 |
1774.0 |
-33.3 |
0.004 |
23 |
8 |
0 |
0.452 |
2 |
|
D |
175 |
47 |
12809 |
◊ |
C |
x,y,z |
1_555 |
182 |
47 |
11891 |
1724.2 |
-31.0 |
0.007 |
23 |
5 |
0 |
0.452 |
| Average: |
1749.1 |
-32.2 |
0.005 |
23 |
7 |
0 |
0.452 |
| 2 |
3 |
|
D |
155 |
40 |
12809 |
◊ |
B |
x,y,z |
1_555 |
156 |
40 |
12251 |
1435.7 |
-17.9 |
0.158 |
17 |
4 |
0 |
0.383 |
4 |
|
C |
160 |
41 |
11891 |
◊ |
A |
x,y,z |
1_555 |
155 |
41 |
11750 |
1425.1 |
-18.0 |
0.111 |
13 |
4 |
0 |
0.383 |
| Average: |
1430.4 |
-18.0 |
0.135 |
15 |
4 |
0 |
0.383 |
| 3 |
5 |
|
D |
87 |
29 |
12809 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
88 |
24 |
12251 |
813.2 |
-1.9 |
0.654 |
7 |
0 |
0 |
0.024 |
| 4 |
6 |
|
[NAP]B:301 |
47 |
1 |
865 |
f |
B |
x,y,z |
1_555 |
81 |
33 |
12251 |
587.9 |
-3.4 |
0.657 |
17 |
0 |
0 |
0.349 |
7 |
|
[NAP]A:301 |
46 |
1 |
861 |
f |
A |
x,y,z |
1_555 |
82 |
34 |
11750 |
586.7 |
-3.1 |
0.663 |
18 |
0 |
0 |
0.349 |
8 |
|
[NAP]C:301 |
46 |
1 |
865 |
f |
C |
x,y,z |
1_555 |
83 |
35 |
11891 |
583.2 |
-3.6 |
0.605 |
17 |
0 |
0 |
0.349 |
| Average: |
585.9 |
-3.4 |
0.642 |
17 |
0 |
0 |
0.349 |
| 5 |
9 |
|
D |
37 |
12 |
12809 |
◊ |
A |
x,y,z |
1_555 |
41 |
13 |
11750 |
355.3 |
0.9 |
0.787 |
10 |
0 |
0 |
0.019 |
10 |
|
C |
34 |
10 |
11891 |
◊ |
B |
x,y,z |
1_555 |
36 |
12 |
12251 |
326.0 |
0.6 |
0.774 |
5 |
0 |
0 |
0.019 |
| Average: |
340.7 |
0.7 |
0.781 |
8 |
0 |
0 |
0.019 |
| 6 |
11 |
|
D |
30 |
7 |
12809 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
37 |
10 |
11891 |
304.0 |
-0.1 |
0.653 |
6 |
0 |
0 |
0.000 |
| 7 |
12 |
|
A |
25 |
5 |
11750 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
26 |
7 |
12251 |
233.1 |
-1.3 |
0.559 |
1 |
0 |
0 |
0.000 |
| 8 |
13 |
|
[AEF]B:302 |
10 |
1 |
302 |
f |
B |
x,y,z |
1_555 |
40 |
13 |
12251 |
195.4 |
4.7 |
0.416 |
2 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[AEF]D:301 |
10 |
1 |
308 |
f |
D |
x,y,z |
1_555 |
32 |
12 |
12809 |
185.6 |
5.1 |
0.345 |
1 |
0 |
0 |
0.000 |
| 10 |
15 |
|
D |
21 |
9 |
12809 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
23 |
8 |
11891 |
179.9 |
0.8 |
0.769 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[SO4]D:302 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
22 |
10 |
12809 |
120.7 |
-18.0 |
0.698 |
4 |
0 |
0 |
0.213 |
| 12 |
17 |
|
D |
16 |
4 |
12809 |
◊ |
A |
x,y-1,z |
1_545 |
14 |
6 |
11750 |
117.5 |
0.7 |
0.775 |
2 |
1 |
0 |
0.000 |
| 13 |
18 |
|
[SO4]D:303 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
12809 |
94.1 |
-14.1 |
0.869 |
4 |
0 |
0 |
0.171 |
| 14 |
19 |
|
[SO4]B:304 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
12251 |
91.3 |
-13.0 |
0.871 |
3 |
0 |
0 |
0.141 |
| 15 |
20 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11750 |
90.7 |
-12.3 |
0.871 |
4 |
0 |
0 |
0.221 |
| 16 |
21 |
|
[SO4]B:305 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
12251 |
69.9 |
-8.3 |
0.904 |
2 |
0 |
0 |
0.090 |
| 17 |
22 |
|
[AEF]B:302 |
6 |
1 |
302 |
f |
[NAP]B:301 |
x,y,z |
1_555 |
11 |
1 |
865 |
62.3 |
0.2 |
0.022 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[SO4]B:303 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
12809 |
58.5 |
-8.2 |
0.623 |
1 |
0 |
0 |
0.094 |
| 19 |
24 |
|
[SO4]B:303 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
12251 |
49.1 |
-4.6 |
0.968 |
2 |
0 |
0 |
0.049 |
| 20 |
25 |
|
B |
5 |
2 |
12251 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
5 |
2 |
12251 |
47.3 |
-0.2 |
0.398 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
A |
4 |
2 |
11750 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
11750 |
46.2 |
-0.6 |
0.372 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
D |
5 |
3 |
12809 |
◊ |
[SO4]B:305 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
185 |
36.3 |
-5.0 |
0.671 |
0 |
0 |
0 |
0.024 |
| 23 |
28 |
|
[SO4]D:303 |
4 |
1 |
185 |
◊ |
[SO4]B:304 |
x,y,z |
1_555 |
4 |
1 |
186 |
29.2 |
-6.5 |
0.998 |
0 |
0 |
0 |
0.058 |
| 24 |
29 |
|
[SO4]A:302 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
11891 |
25.5 |
-3.0 |
0.876 |
0 |
0 |
0 |
0.047 |
| 25 |
30 |
|
C |
7 |
2 |
11891 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
3 |
11750 |
23.6 |
-0.3 |
0.552 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
D |
2 |
1 |
12809 |
◊ |
[NAP]B:301 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
865 |
17.0 |
0.4 |
0.707 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[SO4]B:304 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
12809 |
12.6 |
-1.5 |
0.865 |
0 |
0 |
0 |
0.013 |
| 28 |
33 |
|
[SO4]D:303 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
12251 |
9.9 |
-1.2 |
0.760 |
0 |
0 |
0 |
0.011 |
| 29 |
34 |
|
[SO4]B:305 |
2 |
1 |
185 |
f |
[NAP]B:301 |
x,y,z |
1_555 |
3 |
1 |
865 |
9.8 |
-1.2 |
0.728 |
0 |
0 |
0 |
0.011 |
| 30 |
35 |
|
C |
1 |
1 |
11891 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
12251 |
5.4 |
-0.0 |
0.507 |
0 |
0 |
0 |
0.000 |
|