## |
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 |
84 |
25 |
13335 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
87 |
25 |
13269 |
838.7 |
-4.5 |
0.592 |
12 |
6 |
0 |
0.136 |
2 |
|
C |
60 |
20 |
13193 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
67 |
23 |
13497 |
589.1 |
-4.3 |
0.575 |
6 |
0 |
0 |
0.136 |
Average: |
713.9 |
-4.4 |
0.584 |
9 |
3 |
0 |
0.136 |
2 |
3 |
|
C |
76 |
20 |
13193 |
◊ |
B |
x,y,z |
1_555 |
77 |
21 |
13335 |
660.8 |
-7.3 |
0.408 |
6 |
0 |
0 |
0.119 |
4 |
|
D |
77 |
21 |
13269 |
◊ |
A |
x,y,z |
1_555 |
72 |
20 |
13497 |
650.8 |
-7.1 |
0.405 |
6 |
0 |
0 |
0.119 |
Average: |
655.8 |
-7.2 |
0.406 |
6 |
0 |
0 |
0.119 |
3 |
5 |
|
C |
51 |
16 |
13193 |
◊ |
A |
x,y,z |
1_555 |
49 |
16 |
13497 |
468.6 |
-2.3 |
0.631 |
3 |
4 |
0 |
0.052 |
6 |
|
D |
54 |
16 |
13269 |
◊ |
B |
x,y,z |
1_555 |
53 |
18 |
13335 |
449.1 |
-2.7 |
0.620 |
3 |
3 |
0 |
0.052 |
Average: |
458.9 |
-2.5 |
0.626 |
3 |
4 |
0 |
0.052 |
4 |
7 |
|
[R7S]C:501 |
29 |
1 |
657 |
f |
C |
x,y,z |
1_555 |
64 |
25 |
13193 |
465.6 |
-0.2 |
0.493 |
5 |
0 |
0 |
0.064 |
8 |
|
[R7S]B:501 |
29 |
1 |
657 |
f |
B |
x,y,z |
1_555 |
63 |
24 |
13335 |
464.8 |
-0.3 |
0.469 |
5 |
0 |
0 |
0.064 |
9 |
|
[R7S]A:501 |
29 |
1 |
654 |
f |
A |
x,y,z |
1_555 |
63 |
24 |
13497 |
464.7 |
-0.3 |
0.491 |
3 |
0 |
0 |
0.064 |
10 |
|
[R7S]D:501 |
29 |
1 |
649 |
f |
D |
x,y,z |
1_555 |
65 |
25 |
13269 |
464.6 |
-0.3 |
0.453 |
5 |
0 |
0 |
0.064 |
Average: |
464.9 |
-0.3 |
0.476 |
5 |
0 |
0 |
0.064 |
5 |
11 |
|
B |
43 |
13 |
13335 |
◊ |
A |
x,y,z |
1_555 |
42 |
13 |
13497 |
387.5 |
-3.6 |
0.479 |
3 |
0 |
0 |
0.030 |
6 |
12 |
|
D |
43 |
11 |
13269 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
43 |
12 |
13193 |
386.3 |
-2.1 |
0.640 |
2 |
0 |
0 |
0.000 |
13 |
|
B |
34 |
10 |
13335 |
◊ |
A |
-x,y,-z |
2_555 |
39 |
12 |
13497 |
351.1 |
-0.4 |
0.774 |
1 |
0 |
0 |
0.000 |
Average: |
368.7 |
-1.2 |
0.707 |
2 |
0 |
0 |
0.000 |
7 |
14 |
|
A |
26 |
7 |
13497 |
◊ |
A |
-x,y,-z |
2_555 |
26 |
7 |
13497 |
218.9 |
2.1 |
0.926 |
4 |
0 |
0 |
0.000 |
8 |
15 |
|
C |
24 |
9 |
13193 |
◊ |
C |
-x+1,y,-z |
2_655 |
24 |
9 |
13193 |
178.2 |
-1.4 |
0.599 |
0 |
0 |
0 |
0.000 |
9 |
16 |
|
C |
15 |
7 |
13193 |
◊ |
B |
-x,y,-z |
2_555 |
16 |
6 |
13335 |
131.9 |
-0.2 |
0.635 |
3 |
1 |
0 |
0.000 |
10 |
17 |
|
B |
17 |
5 |
13335 |
◊ |
B |
-x,y,-z |
2_555 |
17 |
5 |
13335 |
122.8 |
1.6 |
0.890 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
[SO4]B:504 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
13335 |
91.9 |
-12.5 |
0.827 |
3 |
0 |
0 |
0.174 |
12 |
19 |
|
[SO4]C:503 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
13193 |
82.7 |
-11.5 |
0.868 |
5 |
0 |
0 |
0.082 |
13 |
20 |
|
[SO4]B:502 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
13335 |
81.7 |
-13.2 |
0.708 |
3 |
0 |
0 |
0.183 |
14 |
21 |
|
[SO4]B:505 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
13335 |
75.8 |
-11.0 |
0.704 |
3 |
0 |
0 |
0.156 |
15 |
22 |
|
D |
7 |
2 |
13269 |
◊ |
A |
-x,y,-z |
2_555 |
12 |
5 |
13497 |
69.6 |
-0.4 |
0.598 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
[SO4]D:503 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
13269 |
64.1 |
-9.1 |
0.740 |
1 |
0 |
0 |
0.000 |
17 |
24 |
|
[SO4]B:503 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
13335 |
62.6 |
-8.9 |
0.686 |
1 |
0 |
0 |
0.118 |
18 |
25 |
|
[SO4]A:502 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
13497 |
62.5 |
-8.6 |
0.697 |
2 |
0 |
0 |
0.061 |
19 |
26 |
|
C |
9 |
3 |
13193 |
f |
[SO4]D:503 |
x,y,z-1 |
1_554 |
4 |
1 |
186 |
61.4 |
-8.6 |
0.729 |
2 |
0 |
0 |
0.057 |
20 |
27 |
|
[SO4]D:502 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
13269 |
60.8 |
-7.3 |
0.826 |
3 |
0 |
0 |
0.109 |
21 |
28 |
|
[SO4]C:502 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
13193 |
59.2 |
-7.7 |
0.800 |
3 |
0 |
0 |
0.055 |
22 |
29 |
|
[SO4]B:504 |
3 |
1 |
186 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
2 |
13269 |
42.8 |
-4.4 |
0.970 |
1 |
0 |
0 |
0.061 |
23 |
30 |
|
[SO4]C:502 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
13497 |
35.8 |
-3.8 |
0.938 |
2 |
0 |
0 |
0.028 |
24 |
31 |
|
[SO4]D:502 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13335 |
35.1 |
-3.5 |
0.945 |
1 |
0 |
0 |
0.024 |
25 |
32 |
|
[SO4]C:504 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
13193 |
35.0 |
-3.8 |
0.721 |
0 |
0 |
0 |
0.023 |
26 |
33 |
|
[SO4]C:504 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
13497 |
30.6 |
-4.3 |
0.531 |
0 |
0 |
0 |
0.028 |
27 |
34 |
|
[SO4]D:502 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13497 |
21.7 |
-3.2 |
0.419 |
0 |
0 |
0 |
0.019 |
28 |
35 |
|
[SO4]C:502 |
2 |
1 |
185 |
◊ |
B |
-x,y,-z |
2_555 |
6 |
2 |
13335 |
21.5 |
-2.7 |
0.799 |
0 |
0 |
0 |
0.000 |
29 |
36 |
|
[SO4]C:503 |
3 |
1 |
185 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
13497 |
18.7 |
-2.5 |
0.485 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
[SO4]C:502 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13335 |
15.7 |
-2.2 |
0.499 |
0 |
0 |
0 |
0.013 |
31 |
38 |
|
C |
1 |
1 |
13193 |
◊ |
[SO4]A:502 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
185 |
7.1 |
-0.8 |
0.517 |
0 |
0 |
0 |
0.000 |
32 |
39 |
|
[SO4]B:503 |
1 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
13269 |
6.6 |
-0.9 |
0.626 |
0 |
0 |
0 |
0.005 |
33 |
40 |
|
C |
2 |
1 |
13193 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
13335 |
6.3 |
0.3 |
0.762 |
0 |
0 |
0 |
0.000 |
34 |
41 |
|
[R7S]A:501 |
1 |
1 |
654 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13335 |
4.8 |
0.2 |
0.671 |
0 |
0 |
0 |
0.000 |
35 |
42 |
|
C |
1 |
1 |
13193 |
◊ |
D |
x,y,z-1 |
1_554 |
3 |
1 |
13269 |
3.6 |
0.0 |
0.669 |
0 |
0 |
0 |
0.000 |
36 |
43 |
|
[SO4]C:504 |
1 |
1 |
185 |
◊ |
B |
-x,y,-z |
2_555 |
1 |
1 |
13335 |
0.5 |
-0.1 |
0.752 |
0 |
0 |
0 |
0.000 |
|