| ## |
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 |
176 |
51 |
32246 |
◊ |
A |
x,y,z |
1_555 |
175 |
50 |
32234 |
1557.2 |
2.2 |
0.656 |
26 |
6 |
0 |
0.037 |
| 2 |
2 |
|
B |
62 |
18 |
32246 |
◊ |
B |
x,-y+1,-z |
4_565 |
62 |
18 |
32246 |
552.4 |
4.3 |
0.815 |
8 |
0 |
0 |
0.000 |
3 |
|
A |
61 |
18 |
32234 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
60 |
18 |
32234 |
534.5 |
4.2 |
0.809 |
8 |
0 |
0 |
0.000 |
| Average: |
543.4 |
4.3 |
0.812 |
8 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
45 |
11 |
32246 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
37 |
9 |
32234 |
355.3 |
-1.8 |
0.379 |
2 |
0 |
0 |
0.000 |
5 |
|
B |
33 |
9 |
32246 |
◊ |
A |
x,-y+1,-z |
4_565 |
46 |
11 |
32234 |
354.2 |
-1.8 |
0.380 |
2 |
0 |
0 |
0.000 |
| Average: |
354.8 |
-1.8 |
0.379 |
2 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
37 |
14 |
32246 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
33 |
13 |
32234 |
341.7 |
1.2 |
0.656 |
4 |
4 |
0 |
0.000 |
7 |
|
A |
38 |
14 |
32234 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
30 |
12 |
32246 |
340.9 |
1.1 |
0.649 |
5 |
4 |
0 |
0.000 |
| Average: |
341.3 |
1.1 |
0.652 |
5 |
4 |
0 |
0.000 |
| 5 |
8 |
|
B |
32 |
9 |
32246 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
33 |
9 |
32246 |
303.4 |
0.8 |
0.629 |
0 |
0 |
0 |
0.000 |
9 |
|
A |
31 |
9 |
32234 |
◊ |
A |
x,-y+1,-z |
4_565 |
31 |
9 |
32234 |
299.7 |
0.8 |
0.630 |
0 |
0 |
0 |
0.000 |
| Average: |
301.5 |
0.8 |
0.629 |
0 |
0 |
0 |
0.000 |
| 6 |
10 |
|
B |
21 |
5 |
32246 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
21 |
5 |
32234 |
125.4 |
-0.6 |
0.476 |
0 |
0 |
0 |
0.000 |
| 7 |
11 |
|
[SO4]B:714 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
32246 |
118.6 |
-18.2 |
0.661 |
6 |
0 |
0 |
0.152 |
12 |
|
[SO4]A:704 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
32234 |
118.0 |
-18.3 |
0.660 |
6 |
0 |
0 |
0.152 |
| Average: |
118.3 |
-18.3 |
0.660 |
6 |
0 |
0 |
0.152 |
| 8 |
13 |
|
[SO4]B:718 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
32246 |
105.9 |
-16.1 |
0.611 |
1 |
0 |
0 |
0.120 |
14 |
|
[SO4]A:708 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
32234 |
105.4 |
-16.1 |
0.615 |
1 |
0 |
0 |
0.120 |
| Average: |
105.7 |
-16.1 |
0.613 |
1 |
0 |
0 |
0.120 |
| 9 |
15 |
|
[SO4]B:716 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
4 |
32246 |
105.5 |
-13.9 |
0.835 |
4 |
0 |
0 |
0.114 |
16 |
|
[SO4]A:706 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
4 |
32234 |
105.3 |
-13.9 |
0.833 |
4 |
0 |
0 |
0.114 |
| Average: |
105.4 |
-13.9 |
0.834 |
4 |
0 |
0 |
0.114 |
| 10 |
17 |
|
[SO4]A:703 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
32234 |
95.5 |
-12.0 |
0.867 |
4 |
0 |
0 |
0.099 |
18 |
|
[SO4]B:713 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
32246 |
94.6 |
-11.8 |
0.866 |
4 |
0 |
0 |
0.099 |
| Average: |
95.1 |
-11.9 |
0.866 |
4 |
0 |
0 |
0.099 |
| 11 |
19 |
|
[SO4]A:702 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
32234 |
94.6 |
-15.0 |
0.634 |
5 |
0 |
0 |
0.125 |
20 |
|
[SO4]B:712 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
32246 |
94.2 |
-14.9 |
0.638 |
5 |
0 |
0 |
0.125 |
| Average: |
94.4 |
-14.9 |
0.636 |
5 |
0 |
0 |
0.125 |
| 12 |
21 |
|
[SO4]B:701 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
32246 |
79.3 |
-9.7 |
0.920 |
4 |
0 |
0 |
0.083 |
22 |
|
[SO4]A:711 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
32234 |
78.7 |
-9.7 |
0.918 |
4 |
0 |
0 |
0.083 |
| Average: |
79.0 |
-9.7 |
0.919 |
4 |
0 |
0 |
0.083 |
| 13 |
23 |
|
[SO4]B:717 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
32246 |
71.9 |
-10.2 |
0.506 |
2 |
0 |
0 |
0.080 |
24 |
|
[SO4]A:707 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
32234 |
71.9 |
-10.2 |
0.513 |
2 |
0 |
0 |
0.080 |
| Average: |
71.9 |
-10.2 |
0.510 |
2 |
0 |
0 |
0.080 |
| 14 |
25 |
|
[SO4]A:711 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
32246 |
70.5 |
-8.9 |
0.801 |
3 |
0 |
0 |
0.074 |
26 |
|
[SO4]B:701 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
32234 |
69.8 |
-8.8 |
0.799 |
3 |
0 |
0 |
0.074 |
| Average: |
70.1 |
-8.9 |
0.800 |
3 |
0 |
0 |
0.074 |
| 15 |
27 |
|
[SO4]A:705 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
32234 |
44.0 |
-5.4 |
0.553 |
0 |
0 |
0 |
0.040 |
28 |
|
[SO4]B:715 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
32246 |
44.0 |
-5.5 |
0.553 |
0 |
0 |
0 |
0.040 |
| Average: |
44.0 |
-5.5 |
0.553 |
0 |
0 |
0 |
0.040 |
| 16 |
29 |
|
[CL]A:710 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
32234 |
42.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.033 |
30 |
|
[CL]B:720 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
32246 |
42.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
42.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.033 |
| 17 |
31 |
|
[SO4]A:705 |
4 |
1 |
185 |
◊ |
A |
x,-y+1,-z |
4_565 |
5 |
1 |
32234 |
42.5 |
-5.2 |
0.725 |
0 |
0 |
0 |
0.000 |
32 |
|
[SO4]B:715 |
4 |
1 |
185 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
5 |
1 |
32246 |
42.2 |
-5.3 |
0.705 |
0 |
0 |
0 |
0.000 |
| Average: |
42.4 |
-5.3 |
0.715 |
0 |
0 |
0 |
0.000 |
| 18 |
33 |
|
[CL]B:719 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
32246 |
42.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.032 |
34 |
|
[CL]A:709 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
32234 |
41.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
41.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.032 |
| 19 |
35 |
|
[SO4]A:705 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
32246 |
11.0 |
-1.5 |
0.393 |
0 |
0 |
0 |
0.011 |
36 |
|
[SO4]B:715 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
32234 |
10.9 |
-1.5 |
0.390 |
0 |
0 |
0 |
0.011 |
| Average: |
11.0 |
-1.5 |
0.391 |
0 |
0 |
0 |
0.011 |
| 20 |
37 |
|
[SO4]A:702 |
1 |
1 |
184 |
◊ |
B |
x,-y+1,-z |
4_565 |
1 |
1 |
32246 |
0.5 |
-0.1 |
0.772 |
0 |
0 |
0 |
0.000 |
38 |
|
[SO4]B:712 |
1 |
1 |
183 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
1 |
1 |
32234 |
0.3 |
-0.0 |
0.774 |
0 |
0 |
0 |
0.000 |
| Average: |
0.4 |
-0.1 |
0.773 |
0 |
0 |
0 |
0.000 |
|