## |
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 |
47 |
16 |
21584 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
44 |
12 |
22114 |
412.8 |
-0.7 |
0.482 |
7 |
1 |
0 |
0.000 |
2 |
2 |
|
B |
45 |
14 |
21584 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
42 |
11 |
21584 |
401.2 |
0.4 |
0.573 |
2 |
3 |
0 |
0.000 |
3 |
3 |
|
B |
53 |
18 |
21584 |
◊ |
A |
x,y,z |
1_555 |
50 |
16 |
22114 |
349.4 |
-2.9 |
0.307 |
0 |
0 |
0 |
0.000 |
4 |
4 |
|
B |
32 |
11 |
21584 |
◊ |
A |
x,y,z-1 |
1_554 |
38 |
11 |
22114 |
321.0 |
-0.8 |
0.467 |
2 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
28 |
12 |
21584 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
24 |
7 |
22114 |
223.8 |
-0.1 |
0.486 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
A |
16 |
6 |
22114 |
x |
A |
-x+1,y-1/2,-z+2 |
2_647 |
17 |
7 |
22114 |
170.8 |
1.4 |
0.701 |
4 |
2 |
0 |
0.000 |
7 |
7 |
|
[SO4]A:1615 |
5 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
22114 |
112.8 |
-19.2 |
0.557 |
3 |
0 |
0 |
0.011 |
8 |
8 |
|
[ACT]B:1620 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
21584 |
111.4 |
-1.2 |
0.497 |
1 |
0 |
0 |
0.001 |
9 |
9 |
|
[SO4]A:1611 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
22114 |
111.1 |
-16.2 |
0.730 |
4 |
0 |
0 |
0.009 |
10 |
10 |
|
[SO4]A:1620 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
11 |
22114 |
107.9 |
-18.0 |
0.596 |
6 |
0 |
0 |
0.011 |
11 |
11 |
|
[SO4]B:1612 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
21584 |
101.6 |
-15.2 |
0.787 |
3 |
0 |
0 |
0.012 |
12 |
12 |
|
[SO4]A:1616 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
22114 |
101.0 |
-16.9 |
0.650 |
1 |
0 |
0 |
0.009 |
13 |
13 |
|
[SO4]A:1619 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
22114 |
99.5 |
-14.5 |
0.536 |
2 |
0 |
0 |
0.008 |
14 |
14 |
|
[SO4]B:1614 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
21584 |
89.8 |
-13.9 |
0.603 |
3 |
0 |
0 |
0.011 |
15 |
15 |
|
[SO4]A:1614 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
22114 |
87.3 |
-12.5 |
0.763 |
4 |
0 |
0 |
0.007 |
16 |
16 |
|
[SO4]A:1612 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
22114 |
85.3 |
-11.2 |
0.807 |
2 |
0 |
0 |
0.006 |
17 |
17 |
|
[SO4]A:1617 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
22114 |
80.8 |
-10.9 |
0.700 |
0 |
0 |
0 |
0.006 |
18 |
18 |
|
[SO4]B:1619 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
21584 |
77.5 |
-7.5 |
0.962 |
2 |
0 |
0 |
0.006 |
19 |
19 |
|
[SO4]B:1615 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
21584 |
76.1 |
-10.8 |
0.712 |
2 |
0 |
0 |
0.009 |
20 |
20 |
|
[SO4]B:1613 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
21584 |
75.7 |
-9.5 |
0.867 |
3 |
0 |
0 |
0.008 |
21 |
21 |
|
[SO4]A:1618 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
22114 |
74.5 |
-10.9 |
0.679 |
2 |
0 |
0 |
0.006 |
22 |
22 |
|
[SO4]B:1617 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
21584 |
72.2 |
-9.0 |
0.927 |
1 |
0 |
0 |
0.007 |
23 |
23 |
|
[SO4]B:1616 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
21584 |
71.6 |
-10.4 |
0.677 |
1 |
0 |
0 |
0.008 |
24 |
24 |
|
[SO4]A:1621 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
22114 |
65.5 |
-8.2 |
0.875 |
2 |
0 |
0 |
0.005 |
25 |
25 |
|
[SO4]A:1618 |
5 |
1 |
187 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
8 |
5 |
22114 |
64.7 |
-7.7 |
0.831 |
3 |
0 |
0 |
0.000 |
26 |
26 |
|
B |
5 |
3 |
21584 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
21584 |
63.8 |
0.2 |
0.490 |
0 |
0 |
0 |
0.000 |
27 |
27 |
|
[SO4]B:1618 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
21584 |
63.3 |
-7.4 |
0.874 |
3 |
0 |
0 |
0.006 |
28 |
28 |
|
[NI]B:1608 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
21584 |
61.9 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.008 |
29 |
|
[NI]A:1607 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
22114 |
61.9 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
61.9 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.008 |
29 |
30 |
|
[SO4]A:1613 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
22114 |
61.1 |
-7.4 |
0.864 |
2 |
0 |
0 |
0.004 |
30 |
31 |
|
[NI]B:1609 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
21584 |
60.3 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.005 |
32 |
|
[NI]A:1608 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
22114 |
59.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
59.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.005 |
31 |
33 |
|
[NI]A:1609 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
22114 |
50.5 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.003 |
32 |
34 |
|
[NI]B:1611 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
21584 |
48.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.005 |
33 |
35 |
|
[NI]B:1607 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
22114 |
48.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
[NI]B:1607 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
21584 |
45.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
46.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
37 |
|
[NI]A:1610 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
22114 |
46.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.002 |
35 |
38 |
|
[NI]B:1610 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
21584 |
46.0 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.006 |
36 |
39 |
|
[SO4]B:1619 |
4 |
1 |
186 |
f |
[SO4]B:1618 |
x,y,z |
1_555 |
4 |
1 |
188 |
41.5 |
-9.4 |
0.998 |
0 |
0 |
0 |
0.007 |
37 |
40 |
|
[NI]B:1610 |
1 |
1 |
115 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
21584 |
34.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
41 |
|
A |
2 |
1 |
22114 |
x |
A |
-x,y-1/2,-z+2 |
2_547 |
3 |
1 |
22114 |
23.3 |
1.0 |
0.889 |
1 |
1 |
0 |
0.000 |
39 |
42 |
|
[SO4]A:1613 |
4 |
1 |
186 |
f |
[NI]A:1610 |
x,y,z |
1_555 |
1 |
1 |
115 |
20.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.002 |
40 |
43 |
|
B |
5 |
2 |
21584 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
22114 |
17.6 |
0.2 |
0.648 |
0 |
0 |
0 |
0.000 |
41 |
44 |
|
[SO4]A:1621 |
4 |
1 |
185 |
f |
[NI]A:1610 |
x,y,z |
1_555 |
1 |
1 |
115 |
10.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.001 |
42 |
45 |
|
[ACT]B:1620 |
1 |
1 |
182 |
◊ |
[NI]B:1607 |
x,y,z |
1_555 |
1 |
1 |
115 |
5.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
46 |
|
[SO4]B:1616 |
1 |
1 |
186 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
21584 |
0.5 |
-0.1 |
0.738 |
0 |
0 |
0 |
0.000 |
|