| ## |
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 |
116 |
29 |
11412 |
◊ |
A |
x,y,z |
1_555 |
117 |
30 |
10902 |
993.6 |
1.3 |
0.787 |
20 |
2 |
0 |
0.079 |
| 2 |
2 |
|
B |
88 |
22 |
11412 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
87 |
22 |
11412 |
762.3 |
-11.5 |
0.059 |
8 |
0 |
0 |
0.176 |
| 3 |
3 |
|
M |
65 |
15 |
1906 |
◊ |
B |
x,y,z |
1_555 |
76 |
21 |
11412 |
680.2 |
-4.6 |
0.492 |
12 |
4 |
0 |
0.230 |
4 |
|
L |
64 |
15 |
1822 |
◊ |
A |
x,y,z |
1_555 |
80 |
21 |
10902 |
677.4 |
-3.9 |
0.590 |
12 |
4 |
0 |
0.230 |
| Average: |
678.8 |
-4.3 |
0.541 |
12 |
4 |
0 |
0.230 |
| 4 |
5 |
|
B |
52 |
14 |
11412 |
◊ |
B |
-x,y,-z |
2_555 |
52 |
14 |
11412 |
471.8 |
-2.4 |
0.456 |
6 |
0 |
0 |
0.018 |
| 5 |
6 |
|
A |
44 |
10 |
10902 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
53 |
12 |
11412 |
438.2 |
1.4 |
0.736 |
5 |
2 |
0 |
0.010 |
| 6 |
7 |
|
A |
50 |
12 |
10902 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
50 |
12 |
10902 |
393.0 |
-2.9 |
0.347 |
4 |
0 |
0 |
0.021 |
| 7 |
8 |
|
A |
38 |
10 |
10902 |
◊ |
A |
-x,y,-z+1 |
2_556 |
39 |
10 |
10902 |
377.0 |
-1.7 |
0.428 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
A |
20 |
7 |
10902 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
24 |
6 |
11412 |
218.0 |
2.0 |
0.831 |
3 |
0 |
0 |
0.000 |
| 9 |
10 |
|
L |
19 |
9 |
1822 |
◊ |
M |
x-1/2,y-1/2,z |
3_445 |
20 |
9 |
1906 |
145.6 |
-1.5 |
0.613 |
2 |
0 |
0 |
0.020 |
| 10 |
11 |
|
[SO4]B:501 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
11412 |
107.8 |
-16.8 |
0.748 |
8 |
0 |
0 |
0.474 |
| 11 |
12 |
|
[SO4]A:502 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
10902 |
107.3 |
-17.0 |
0.727 |
8 |
0 |
0 |
0.415 |
| 12 |
13 |
|
A |
10 |
5 |
10902 |
◊ |
M |
-x+1/2,y-1/2,-z |
4_545 |
13 |
4 |
1906 |
104.9 |
-1.4 |
0.360 |
1 |
0 |
0 |
0.016 |
| 13 |
14 |
|
[SO4]A:501 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
10902 |
98.0 |
-12.4 |
0.760 |
5 |
0 |
0 |
0.295 |
| 14 |
15 |
|
A |
13 |
2 |
10902 |
◊ |
M |
x-1/2,y-1/2,z |
3_445 |
11 |
2 |
1906 |
97.7 |
0.7 |
0.717 |
1 |
0 |
0 |
0.000 |
16 |
|
L |
10 |
2 |
1822 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
15 |
4 |
11412 |
93.2 |
0.7 |
0.780 |
2 |
0 |
0 |
0.000 |
| Average: |
95.4 |
0.7 |
0.749 |
2 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[SO4]B:502 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
11412 |
89.9 |
-12.4 |
0.754 |
6 |
0 |
0 |
0.350 |
| 16 |
18 |
|
[ACE]L:189 |
3 |
1 |
172 |
cf |
L |
x,y,z |
1_555 |
8 |
3 |
1822 |
60.4 |
-0.3 |
0.834 |
1 |
0 |
0 |
0.102 |
| 17 |
19 |
|
[ACE]M:189 |
3 |
1 |
172 |
cf |
M |
x,y,z |
1_555 |
9 |
3 |
1906 |
60.3 |
-0.3 |
0.802 |
1 |
0 |
0 |
0.308 |
| 18 |
20 |
|
[SO4]A:501 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
11412 |
53.5 |
-5.6 |
0.911 |
2 |
0 |
0 |
0.065 |
| 19 |
21 |
|
[SO4]B:502 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
10902 |
53.2 |
-5.5 |
0.925 |
2 |
0 |
0 |
0.064 |
| 20 |
22 |
|
[NH2]M:206 |
1 |
1 |
117 |
cf |
M |
x,y,z |
1_555 |
9 |
2 |
1906 |
52.4 |
0.5 |
0.749 |
0 |
0 |
0 |
0.000 |
23 |
|
[NH2]L:206 |
1 |
1 |
117 |
cf |
L |
x,y,z |
1_555 |
5 |
2 |
1822 |
34.4 |
0.0 |
0.662 |
0 |
0 |
0 |
0.000 |
| Average: |
43.4 |
0.3 |
0.706 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[SO4]L:301 |
4 |
1 |
185 |
◊ |
L |
-x,y,-z |
2_555 |
6 |
3 |
1822 |
40.2 |
-5.6 |
0.660 |
0 |
0 |
0 |
0.113 |
| 22 |
25 |
|
A |
6 |
3 |
10902 |
◊ |
[ACE]M:189 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
172 |
39.8 |
-0.7 |
0.506 |
0 |
0 |
0 |
0.006 |
| 23 |
26 |
|
A |
2 |
2 |
10902 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
11412 |
39.5 |
-1.0 |
0.126 |
0 |
0 |
0 |
0.008 |
| 24 |
27 |
|
[NH2]M:206 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
11412 |
36.3 |
0.1 |
0.641 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[SO4]L:301 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
10902 |
34.4 |
-4.7 |
0.348 |
0 |
0 |
0 |
0.095 |
| 26 |
29 |
|
L |
6 |
3 |
1822 |
◊ |
M |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
1906 |
33.2 |
0.6 |
0.803 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
B |
1 |
1 |
11412 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
5 |
2 |
10902 |
30.7 |
-0.9 |
0.101 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[NH2]L:206 |
1 |
1 |
117 |
◊ |
[SO4]L:301 |
x,y,z |
1_555 |
4 |
1 |
185 |
25.1 |
-2.7 |
0.999 |
0 |
0 |
0 |
0.048 |
| 29 |
32 |
|
[ACE]L:189 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
10902 |
24.2 |
0.2 |
0.890 |
0 |
0 |
0 |
0.000 |
| 30 |
33 |
|
[NH2]L:206 |
1 |
1 |
117 |
◊ |
[SO4]L:301 |
-x,y,-z |
2_555 |
4 |
1 |
185 |
24.2 |
-2.7 |
0.999 |
0 |
0 |
0 |
0.055 |
| 31 |
34 |
|
[SO4]L:301 |
4 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
3 |
2 |
1822 |
23.7 |
-2.8 |
0.730 |
0 |
0 |
0 |
0.050 |
| 32 |
35 |
|
L |
1 |
1 |
1822 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
11412 |
21.5 |
0.3 |
0.435 |
0 |
0 |
0 |
0.000 |
| 33 |
36 |
|
[ACE]M:189 |
2 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
11412 |
18.5 |
0.1 |
0.889 |
0 |
0 |
0 |
0.000 |
| 34 |
37 |
|
[NH2]L:206 |
1 |
1 |
117 |
◊ |
[NH2]L:206 |
-x,y,-z |
2_555 |
1 |
1 |
117 |
15.7 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 35 |
38 |
|
[SO4]B:502 |
1 |
1 |
184 |
◊ |
[SO4]A:501 |
x,y,z |
1_555 |
1 |
1 |
186 |
15.7 |
-3.8 |
0.800 |
0 |
0 |
0 |
0.038 |
| 36 |
39 |
|
[SO4]L:301 |
1 |
1 |
185 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
1 |
10902 |
15.5 |
-2.1 |
0.466 |
0 |
0 |
0 |
0.030 |
| 37 |
40 |
|
[NH2]L:206 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
10902 |
11.5 |
0.0 |
0.736 |
0 |
0 |
0 |
0.000 |
| 38 |
41 |
|
[SO4]L:301 |
2 |
1 |
185 |
◊ |
[SO4]L:301 |
-x,y,-z |
2_555 |
2 |
1 |
185 |
11.3 |
-2.7 |
0.960 |
0 |
0 |
0 |
0.020 |
| 39 |
42 |
|
[NH2]L:206 |
1 |
1 |
117 |
◊ |
L |
-x,y,-z |
2_555 |
2 |
1 |
1822 |
10.5 |
-0.1 |
0.669 |
0 |
0 |
0 |
0.001 |
| 40 |
43 |
|
L |
1 |
1 |
1822 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
11412 |
8.6 |
-0.3 |
0.324 |
0 |
0 |
0 |
0.002 |
| 41 |
44 |
|
A |
2 |
2 |
10902 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
2 |
10902 |
4.7 |
0.1 |
0.692 |
0 |
0 |
0 |
0.000 |
| 42 |
45 |
|
L |
1 |
1 |
1822 |
◊ |
A |
-x,y,-z |
2_555 |
1 |
1 |
10902 |
2.9 |
-0.6 |
0.105 |
0 |
0 |
0 |
0.013 |
| 43 |
46 |
|
B |
1 |
1 |
11412 |
◊ |
B |
-x+1,y,-z |
2_655 |
1 |
1 |
11412 |
1.9 |
0.0 |
0.705 |
0 |
0 |
0 |
0.000 |
| 44 |
47 |
|
[ACE]L:189 |
1 |
1 |
172 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
11412 |
1.3 |
-0.0 |
0.574 |
0 |
0 |
0 |
0.000 |
| 45 |
48 |
|
L |
1 |
1 |
1822 |
◊ |
L |
-x,y,-z |
2_555 |
1 |
1 |
1822 |
1.3 |
-0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
|