## |
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 |
|
D |
263 |
68 |
32717 |
◊ |
C |
x,y,z |
1_555 |
260 |
67 |
33583 |
2610.3 |
-11.3 |
0.235 |
37 |
7 |
0 |
0.260 |
2 |
|
B |
268 |
70 |
33666 |
◊ |
A |
x,y,z |
1_555 |
263 |
69 |
33092 |
2575.5 |
-9.5 |
0.326 |
26 |
4 |
0 |
0.260 |
Average: |
2592.9 |
-10.4 |
0.280 |
32 |
6 |
0 |
0.260 |
2 |
3 |
|
C |
97 |
30 |
33583 |
◊ |
B |
x,y,z |
1_555 |
109 |
32 |
33666 |
873.5 |
-2.3 |
0.482 |
4 |
4 |
0 |
0.000 |
4 |
|
D |
95 |
29 |
32717 |
◊ |
A |
x,y,z |
1_555 |
96 |
29 |
33092 |
796.3 |
-3.8 |
0.362 |
5 |
1 |
0 |
0.000 |
Average: |
834.9 |
-3.0 |
0.422 |
5 |
3 |
0 |
0.000 |
3 |
5 |
|
A |
98 |
31 |
33092 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
103 |
28 |
32717 |
842.6 |
1.8 |
0.715 |
6 |
3 |
0 |
0.000 |
4 |
6 |
|
C |
47 |
13 |
33583 |
◊ |
B |
x,y,z-1 |
1_554 |
57 |
17 |
33666 |
457.9 |
-1.7 |
0.401 |
6 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
44 |
12 |
33092 |
◊ |
C |
x-1,y,z |
1_455 |
44 |
14 |
33583 |
360.3 |
-1.8 |
0.424 |
4 |
1 |
0 |
0.000 |
6 |
8 |
|
A |
37 |
12 |
33092 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
34 |
12 |
32717 |
293.4 |
-1.2 |
0.461 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
B |
38 |
9 |
33666 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
33 |
10 |
32717 |
287.8 |
-0.4 |
0.513 |
1 |
0 |
0 |
0.000 |
8 |
10 |
|
D |
28 |
10 |
32717 |
◊ |
B |
x,y,z |
1_555 |
33 |
11 |
33666 |
279.3 |
-1.4 |
0.366 |
0 |
0 |
0 |
0.000 |
11 |
|
C |
32 |
11 |
33583 |
◊ |
A |
x,y,z |
1_555 |
26 |
11 |
33092 |
223.6 |
-1.2 |
0.432 |
0 |
0 |
0 |
0.000 |
Average: |
251.4 |
-1.3 |
0.399 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
[IMP]B:920 |
21 |
1 |
471 |
f |
B |
x,y,z |
1_555 |
37 |
12 |
33666 |
248.2 |
-6.6 |
0.232 |
4 |
0 |
0 |
0.160 |
13 |
|
[IMP]A:920 |
20 |
1 |
471 |
f |
A |
x,y,z |
1_555 |
34 |
13 |
33092 |
246.4 |
-4.7 |
0.348 |
5 |
0 |
0 |
0.160 |
14 |
|
[IMP]C:920 |
21 |
1 |
470 |
f |
C |
x,y,z |
1_555 |
35 |
13 |
33583 |
243.1 |
-6.1 |
0.231 |
7 |
0 |
0 |
0.160 |
15 |
|
[IMP]D:920 |
21 |
1 |
471 |
f |
D |
x,y,z |
1_555 |
37 |
12 |
32717 |
240.0 |
-6.7 |
0.218 |
4 |
0 |
0 |
0.160 |
Average: |
244.4 |
-6.0 |
0.257 |
5 |
0 |
0 |
0.160 |
10 |
16 |
|
D |
35 |
11 |
32717 |
◊ |
C |
x-1,y,z-1 |
1_454 |
31 |
13 |
33583 |
235.5 |
3.8 |
0.843 |
1 |
2 |
0 |
0.000 |
17 |
|
A |
17 |
7 |
33092 |
◊ |
B |
x-1,y,z-1 |
1_454 |
24 |
7 |
33666 |
189.1 |
2.0 |
0.753 |
2 |
1 |
0 |
0.000 |
Average: |
212.3 |
2.9 |
0.798 |
2 |
2 |
0 |
0.000 |
11 |
18 |
|
D |
28 |
6 |
32717 |
◊ |
B |
x,y,z-1 |
1_554 |
29 |
7 |
33666 |
228.5 |
-0.5 |
0.530 |
2 |
0 |
0 |
0.000 |
12 |
19 |
|
A |
20 |
6 |
33092 |
◊ |
C |
x-1,y,z-1 |
1_454 |
25 |
5 |
33583 |
186.1 |
0.8 |
0.685 |
0 |
1 |
0 |
0.000 |
13 |
20 |
|
B |
25 |
8 |
33666 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
15 |
6 |
33583 |
164.1 |
1.6 |
0.723 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
A |
15 |
8 |
33092 |
◊ |
B |
x,y,z-1 |
1_554 |
21 |
7 |
33666 |
147.0 |
-0.5 |
0.506 |
2 |
0 |
0 |
0.000 |
15 |
22 |
|
[IMP]D:920 |
16 |
1 |
471 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
33583 |
124.5 |
-0.2 |
0.533 |
0 |
0 |
0 |
0.002 |
23 |
|
[IMP]B:920 |
15 |
1 |
471 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
33092 |
123.6 |
-0.1 |
0.542 |
0 |
0 |
0 |
0.002 |
Average: |
124.1 |
-0.1 |
0.538 |
0 |
0 |
0 |
0.002 |
16 |
24 |
|
[IMP]A:920 |
14 |
1 |
471 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
33666 |
117.5 |
-0.1 |
0.537 |
0 |
0 |
0 |
0.001 |
25 |
|
[IMP]C:920 |
15 |
1 |
470 |
◊ |
D |
x,y,z |
1_555 |
16 |
5 |
32717 |
114.5 |
-0.2 |
0.515 |
0 |
0 |
0 |
0.001 |
Average: |
116.0 |
-0.1 |
0.526 |
0 |
0 |
0 |
0.001 |
17 |
26 |
|
[SO4]A:901 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
33092 |
113.1 |
-15.7 |
0.777 |
4 |
0 |
0 |
0.167 |
18 |
27 |
|
[SO4]B:902 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
33666 |
104.8 |
-14.3 |
0.803 |
2 |
0 |
0 |
0.145 |
19 |
28 |
|
[SO4]C:901 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
33583 |
102.4 |
-13.7 |
0.758 |
3 |
0 |
0 |
0.136 |
20 |
29 |
|
[SO4]D:901 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
32717 |
101.7 |
-13.8 |
0.740 |
3 |
0 |
0 |
0.137 |
21 |
30 |
|
[SO4]B:900 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
33092 |
99.0 |
-12.5 |
0.906 |
3 |
0 |
0 |
0.132 |
22 |
31 |
|
[SO4]B:901 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
33666 |
82.1 |
-10.4 |
0.873 |
3 |
0 |
0 |
0.112 |
23 |
32 |
|
[SO4]D:900 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
32717 |
81.2 |
-10.7 |
0.870 |
5 |
0 |
0 |
0.117 |
24 |
33 |
|
[SO4]C:900 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
33583 |
78.7 |
-10.3 |
0.848 |
3 |
0 |
0 |
0.105 |
25 |
34 |
|
B |
7 |
4 |
33666 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
32717 |
53.6 |
-0.2 |
0.538 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
[SO4]C:900 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
32717 |
45.2 |
-3.8 |
0.981 |
2 |
0 |
0 |
0.043 |
27 |
36 |
|
[SO4]B:901 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
33092 |
43.8 |
-3.7 |
0.980 |
2 |
0 |
0 |
0.044 |
28 |
37 |
|
[SO4]D:900 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
33583 |
40.4 |
-3.9 |
0.972 |
1 |
0 |
0 |
0.039 |
29 |
38 |
|
[SO4]B:900 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
33666 |
40.3 |
-3.4 |
0.971 |
3 |
0 |
0 |
0.045 |
30 |
39 |
|
A |
7 |
2 |
33092 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
7 |
3 |
33583 |
38.6 |
-0.0 |
0.549 |
0 |
0 |
0 |
0.000 |
31 |
40 |
|
[IMP]C:920 |
1 |
1 |
470 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
2 |
33666 |
9.7 |
-0.0 |
0.419 |
0 |
0 |
0 |
0.000 |
32 |
41 |
|
[SO4]B:900 |
2 |
1 |
184 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
32717 |
6.9 |
-0.9 |
0.670 |
0 |
0 |
0 |
0.000 |
33 |
42 |
|
B |
1 |
1 |
33666 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
33583 |
0.4 |
0.0 |
0.685 |
0 |
0 |
0 |
0.000 |
|