## |
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 |
136 |
34 |
14000 |
◊ |
A |
-x,y,-z |
2_555 |
140 |
35 |
13837 |
1254.4 |
-6.4 |
0.490 |
28 |
7 |
0 |
0.180 |
2 |
2 |
|
[LU8]A:501 |
31 |
1 |
704 |
f |
A |
x,y,z |
1_555 |
61 |
23 |
13837 |
427.9 |
-7.5 |
0.423 |
1 |
0 |
0 |
0.153 |
3 |
|
[LU8]B:501 |
31 |
1 |
702 |
f |
B |
x,y,z |
1_555 |
57 |
24 |
14000 |
427.6 |
-8.5 |
0.334 |
1 |
0 |
0 |
0.153 |
Average: |
427.7 |
-8.0 |
0.378 |
1 |
0 |
0 |
0.153 |
3 |
4 |
|
B |
43 |
12 |
14000 |
◊ |
A |
x,y,z |
1_555 |
42 |
11 |
13837 |
363.1 |
-0.1 |
0.679 |
1 |
0 |
0 |
0.000 |
4 |
5 |
|
[LU8]A:507 |
27 |
1 |
708 |
f |
A |
x,y,z |
1_555 |
41 |
13 |
13837 |
260.7 |
-4.4 |
0.503 |
1 |
0 |
0 |
0.044 |
5 |
6 |
|
B |
23 |
6 |
14000 |
x |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
31 |
6 |
14000 |
250.0 |
-3.4 |
0.250 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
30 |
9 |
13837 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
33 |
10 |
14000 |
233.0 |
-0.9 |
0.572 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
26 |
6 |
13837 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
19 |
1 |
705 |
195.6 |
-2.9 |
0.480 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
[LU8]A:507 |
22 |
1 |
708 |
◊ |
B |
-x,y,-z |
2_555 |
25 |
9 |
14000 |
184.4 |
-3.5 |
0.403 |
1 |
0 |
0 |
0.036 |
9 |
10 |
|
A |
21 |
6 |
13837 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
19 |
6 |
13837 |
174.3 |
1.5 |
0.825 |
6 |
2 |
0 |
0.000 |
10 |
11 |
|
B |
20 |
6 |
14000 |
◊ |
B |
-x-1,y,-z-1 |
2_454 |
20 |
6 |
14000 |
173.3 |
0.9 |
0.757 |
2 |
0 |
0 |
0.000 |
11 |
12 |
|
[LU8]A:508 |
16 |
1 |
705 |
◊ |
B |
-x,y,-z |
2_555 |
20 |
5 |
14000 |
146.6 |
-1.9 |
0.530 |
0 |
0 |
0 |
0.018 |
12 |
13 |
|
A |
15 |
5 |
13837 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
14 |
4 |
14000 |
139.6 |
1.6 |
0.864 |
5 |
0 |
0 |
0.000 |
13 |
14 |
|
[LU8]A:508 |
16 |
1 |
705 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
13837 |
139.3 |
-3.3 |
0.349 |
0 |
0 |
0 |
0.030 |
14 |
15 |
|
[LU8]A:508 |
21 |
1 |
705 |
f |
[LU8]A:507 |
x,y,z |
1_555 |
21 |
1 |
708 |
139.2 |
-1.4 |
0.804 |
0 |
0 |
0 |
0.013 |
15 |
16 |
|
B |
13 |
3 |
14000 |
◊ |
A |
x-1/2,y+1/2,z-1 |
3_454 |
14 |
4 |
13837 |
131.3 |
-1.0 |
0.438 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]A:502 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
13837 |
115.8 |
4.0 |
0.526 |
2 |
0 |
0 |
0.000 |
18 |
|
[EDO]B:503 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
14000 |
115.7 |
4.2 |
0.715 |
3 |
0 |
0 |
0.000 |
Average: |
115.7 |
4.1 |
0.621 |
3 |
0 |
0 |
0.000 |
17 |
19 |
|
[SO4]A:511 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
13837 |
104.6 |
-16.0 |
0.659 |
2 |
0 |
0 |
0.153 |
18 |
20 |
|
[SO4]B:502 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
14000 |
100.6 |
-15.2 |
0.647 |
2 |
0 |
0 |
0.146 |
19 |
21 |
|
[SO4]A:513 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
13837 |
94.7 |
-12.3 |
0.931 |
3 |
0 |
0 |
0.123 |
20 |
22 |
|
[EDO]A:504 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
13837 |
92.2 |
3.1 |
0.519 |
6 |
0 |
0 |
0.000 |
21 |
23 |
|
[SO4]B:506 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
14000 |
88.2 |
-12.6 |
0.763 |
4 |
0 |
0 |
0.130 |
22 |
24 |
|
[TLA]A:506 |
7 |
1 |
270 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
13837 |
84.9 |
-0.4 |
0.403 |
1 |
0 |
0 |
0.000 |
23 |
25 |
|
[EDO]A:517 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13837 |
82.4 |
3.0 |
0.322 |
2 |
0 |
0 |
0.000 |
24 |
26 |
|
[EDO]B:508 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
14000 |
78.5 |
1.5 |
0.216 |
1 |
0 |
0 |
0.000 |
25 |
27 |
|
[EDO]A:515 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
13837 |
77.6 |
1.9 |
0.482 |
1 |
0 |
0 |
0.000 |
26 |
28 |
|
[EDO]B:507 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
14000 |
77.0 |
1.4 |
0.625 |
2 |
0 |
0 |
0.000 |
27 |
29 |
|
[SO4]A:512 |
5 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13837 |
68.3 |
-9.5 |
0.815 |
2 |
0 |
0 |
0.094 |
28 |
30 |
|
[EDO]A:514 |
3 |
1 |
182 |
◊ |
B |
-x,y,-z |
2_555 |
8 |
5 |
14000 |
67.4 |
1.8 |
0.363 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
[DMS]B:504 |
4 |
1 |
209 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
14000 |
65.5 |
3.1 |
0.481 |
1 |
0 |
0 |
0.000 |
30 |
32 |
|
[EDO]A:516 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13837 |
64.5 |
1.2 |
0.559 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
[EDO]A:503 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13837 |
58.5 |
1.6 |
0.821 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[DMS]A:505 |
3 |
1 |
208 |
◊ |
B |
-x,y,-z |
2_555 |
6 |
2 |
14000 |
56.8 |
1.4 |
0.462 |
1 |
0 |
0 |
0.000 |
33 |
35 |
|
[SO4]A:512 |
4 |
1 |
182 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
6 |
3 |
14000 |
49.2 |
-6.2 |
0.787 |
1 |
0 |
0 |
0.000 |
34 |
36 |
|
[EDO]A:504 |
4 |
1 |
185 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
8 |
2 |
14000 |
47.7 |
1.0 |
0.771 |
1 |
0 |
0 |
0.000 |
35 |
37 |
|
[EDO]A:514 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
13837 |
45.1 |
0.4 |
0.675 |
1 |
0 |
0 |
0.000 |
36 |
38 |
|
[EDO]A:514 |
4 |
1 |
182 |
f |
[LU8]A:507 |
x,y,z |
1_555 |
6 |
1 |
708 |
44.5 |
1.2 |
0.901 |
0 |
0 |
0 |
0.000 |
37 |
39 |
|
[EDO]A:515 |
4 |
1 |
183 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
7 |
1 |
705 |
43.9 |
1.1 |
0.881 |
0 |
0 |
0 |
0.000 |
38 |
40 |
|
B |
8 |
2 |
14000 |
◊ |
[LU8]B:501 |
-x-1/2,y-1/2,-z-1 |
4_444 |
5 |
1 |
702 |
41.9 |
0.3 |
0.520 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
[TLA]A:506 |
4 |
1 |
270 |
f |
A |
-x,y,-z+1 |
2_556 |
6 |
4 |
13837 |
38.5 |
-1.3 |
0.326 |
0 |
0 |
0 |
0.012 |
40 |
42 |
|
[DMS]A:505 |
3 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
13837 |
33.5 |
-0.6 |
0.112 |
0 |
0 |
0 |
0.005 |
41 |
43 |
|
[EDO]A:515 |
2 |
1 |
183 |
◊ |
[LU8]A:507 |
-x-1/2,y-1/2,-z |
4_445 |
4 |
1 |
708 |
30.2 |
0.6 |
0.584 |
0 |
0 |
0 |
0.000 |
42 |
44 |
|
[EDO]A:503 |
2 |
1 |
181 |
f |
A |
-x-1/2,y-1/2,-z |
4_445 |
2 |
2 |
13837 |
27.1 |
0.0 |
0.364 |
0 |
0 |
0 |
0.000 |
43 |
45 |
|
[EDO]A:515 |
3 |
1 |
183 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
13837 |
22.0 |
0.7 |
0.951 |
1 |
0 |
0 |
0.000 |
44 |
46 |
|
[DMS]A:505 |
3 |
1 |
208 |
f |
[LU8]A:508 |
x,y,z |
1_555 |
6 |
1 |
705 |
19.2 |
-0.1 |
0.370 |
0 |
0 |
0 |
0.001 |
45 |
47 |
|
A |
6 |
2 |
13837 |
◊ |
[DMS]A:505 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
208 |
18.2 |
0.5 |
0.507 |
0 |
0 |
0 |
0.000 |
46 |
48 |
|
A |
2 |
2 |
13837 |
◊ |
[LU8]A:507 |
-x-1/2,y-1/2,-z |
4_445 |
4 |
1 |
708 |
17.0 |
0.0 |
0.765 |
0 |
0 |
0 |
0.000 |
47 |
49 |
|
[SO4]A:513 |
1 |
1 |
186 |
f |
[EDO]A:504 |
x,y,z |
1_555 |
1 |
1 |
185 |
6.4 |
-0.6 |
0.894 |
0 |
0 |
0 |
0.006 |
48 |
50 |
|
[SO4]A:512 |
1 |
1 |
182 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
705 |
2.5 |
-0.3 |
0.810 |
0 |
0 |
0 |
0.000 |
49 |
51 |
|
[DMS]B:504 |
1 |
1 |
209 |
f |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
1 |
1 |
14000 |
1.9 |
0.1 |
0.426 |
0 |
0 |
0 |
0.000 |
50 |
52 |
|
[EDO]A:515 |
1 |
1 |
183 |
◊ |
[EDO]A:514 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
182 |
1.8 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
51 |
53 |
|
A |
1 |
1 |
13837 |
◊ |
[SO4]A:511 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
184 |
1.7 |
-0.2 |
0.867 |
0 |
0 |
0 |
0.000 |
52 |
54 |
|
[EDO]B:508 |
1 |
1 |
182 |
f |
A |
x-1/2,y+1/2,z-1 |
3_454 |
1 |
1 |
13837 |
0.2 |
0.0 |
0.807 |
0 |
0 |
0 |
0.000 |
|