## |
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 |
|
C |
83 |
13 |
1869 |
◊ |
A |
x,y,z |
1_555 |
89 |
24 |
9084 |
808.7 |
-3.8 |
0.437 |
15 |
2 |
0 |
0.654 |
2 |
|
D |
75 |
12 |
1660 |
◊ |
B |
x,y,z |
1_555 |
87 |
25 |
8874 |
799.4 |
-0.8 |
0.602 |
18 |
4 |
0 |
0.654 |
Average: |
804.0 |
-2.3 |
0.520 |
17 |
3 |
0 |
0.654 |
2 |
3 |
|
B |
62 |
18 |
8874 |
◊ |
B |
y,x,-z |
4_555 |
62 |
18 |
8874 |
568.4 |
-5.3 |
0.301 |
4 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
40 |
12 |
9084 |
◊ |
B |
-y+1,x-y,z |
2_655 |
41 |
10 |
8874 |
335.9 |
-8.3 |
0.055 |
0 |
2 |
0 |
0.196 |
4 |
5 |
|
D |
33 |
9 |
1660 |
◊ |
A |
y,x,-z+1 |
4_556 |
32 |
9 |
9084 |
288.4 |
-3.1 |
0.261 |
3 |
0 |
0 |
0.065 |
5 |
6 |
|
B |
32 |
12 |
8874 |
◊ |
A |
x,y,z |
1_555 |
29 |
7 |
9084 |
282.1 |
1.9 |
0.779 |
8 |
3 |
0 |
0.035 |
6 |
7 |
|
B |
23 |
10 |
8874 |
◊ |
A |
y,x,-z+1 |
4_556 |
29 |
10 |
9084 |
238.5 |
0.8 |
0.433 |
3 |
2 |
0 |
0.000 |
7 |
8 |
|
A |
22 |
9 |
9084 |
x |
A |
-y+1,x-y,z |
2_655 |
28 |
6 |
9084 |
216.8 |
0.3 |
0.618 |
2 |
5 |
0 |
0.031 |
8 |
9 |
|
B |
19 |
5 |
8874 |
x |
B |
-y+1,x-y,z |
2_655 |
18 |
4 |
8874 |
155.0 |
-1.0 |
0.466 |
2 |
0 |
0 |
0.030 |
9 |
10 |
|
C |
8 |
2 |
1869 |
x |
C |
-y+1,x-y,z |
2_655 |
11 |
2 |
1869 |
80.8 |
1.2 |
0.784 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
A |
8 |
3 |
9084 |
◊ |
B |
-x+1,-x+y,-z+1 |
6_656 |
6 |
1 |
8874 |
67.8 |
-1.0 |
0.330 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
A |
9 |
3 |
9084 |
◊ |
A |
x-y,-y,-z+1 |
5_556 |
9 |
3 |
9084 |
66.7 |
1.5 |
0.813 |
2 |
0 |
0 |
0.000 |
12 |
13 |
|
[ACE]D:499 |
3 |
1 |
171 |
◊ |
A |
y,x,-z+1 |
4_556 |
7 |
3 |
9084 |
59.5 |
-1.1 |
0.566 |
0 |
0 |
0 |
0.015 |
13 |
14 |
|
[ACE]D:499 |
3 |
1 |
171 |
cf |
D |
x,y,z |
1_555 |
4 |
1 |
1660 |
57.7 |
-0.1 |
0.814 |
1 |
0 |
0 |
0.100 |
14 |
15 |
|
[MG]B:202 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
8874 |
52.7 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.486 |
15 |
16 |
|
C |
4 |
1 |
1869 |
◊ |
B |
-x+1,-x+y,-z+1 |
6_656 |
6 |
2 |
8874 |
52.2 |
-0.1 |
0.501 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[ACE]C:499 |
3 |
1 |
171 |
cf |
C |
x,y,z |
1_555 |
4 |
2 |
1869 |
50.2 |
-0.7 |
0.677 |
0 |
0 |
0 |
0.100 |
17 |
18 |
|
[MG]A:204 |
1 |
1 |
98 |
f |
A |
x-y,-y,-z+1 |
5_556 |
9 |
4 |
9084 |
47.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.425 |
18 |
19 |
|
A |
6 |
2 |
9084 |
◊ |
[ACE]C:499 |
-y+1,x-y,z |
2_655 |
3 |
1 |
171 |
46.4 |
-0.6 |
0.677 |
0 |
0 |
0 |
0.014 |
19 |
20 |
|
[NI]A:203 |
1 |
1 |
115 |
x |
A |
x,y,z |
1_555 |
5 |
2 |
9084 |
46.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.575 |
21 |
|
[NI]B:201 |
1 |
1 |
115 |
x |
B |
x,y,z |
1_555 |
5 |
2 |
8874 |
44.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.575 |
Average: |
45.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.575 |
20 |
22 |
|
A |
6 |
2 |
9084 |
◊ |
C |
-y+1,x-y,z |
2_655 |
6 |
1 |
1869 |
45.1 |
0.0 |
0.550 |
0 |
0 |
0 |
0.000 |
21 |
23 |
|
[ACE]C:499 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
9084 |
40.3 |
-0.3 |
0.723 |
0 |
0 |
0 |
0.019 |
22 |
24 |
|
A |
12 |
5 |
9084 |
◊ |
[NI]A:201 |
-y+1,x-y,z |
2_655 |
1 |
1 |
115 |
35.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.500 |
25 |
|
[NI]A:202 |
1 |
1 |
115 |
c |
A |
x,y,z |
1_555 |
10 |
5 |
9084 |
33.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.500 |
Average: |
34.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.500 |
23 |
26 |
|
[NI]A:201 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
9084 |
35.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.168 |
27 |
|
[NI]A:202 |
1 |
1 |
115 |
◊ |
A |
-y+1,x-y,z |
2_655 |
6 |
2 |
9084 |
32.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.168 |
Average: |
33.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.168 |
24 |
28 |
|
[MG]A:204 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
9084 |
31.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
C |
4 |
1 |
1869 |
◊ |
[ACE]C:499 |
-y+1,x-y,z |
2_655 |
3 |
1 |
171 |
28.3 |
-0.2 |
0.744 |
0 |
0 |
0 |
0.006 |
26 |
30 |
|
[NI]A:202 |
1 |
1 |
115 |
f |
[NI]A:201 |
-y+1,x-y,z |
2_655 |
1 |
1 |
115 |
27.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.270 |
27 |
31 |
|
C |
4 |
2 |
1869 |
◊ |
A |
-y+1,x-y,z |
2_655 |
3 |
1 |
9084 |
25.1 |
-0.6 |
0.377 |
0 |
0 |
0 |
0.014 |
28 |
32 |
|
[MG]A:204 |
1 |
1 |
98 |
◊ |
[MG]A:204 |
x-y,-y,-z+1 |
5_556 |
1 |
1 |
98 |
14.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
[ACE]D:499 |
2 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
8874 |
10.6 |
0.2 |
0.850 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
C |
2 |
1 |
1869 |
◊ |
D |
-x+1,-x+y,-z+1 |
6_656 |
2 |
2 |
1660 |
9.7 |
0.1 |
0.595 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[NI]A:202 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
1869 |
9.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.031 |
36 |
|
C |
2 |
2 |
1869 |
◊ |
[NI]A:201 |
-y+1,x-y,z |
2_655 |
1 |
1 |
115 |
2.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
6.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.031 |
32 |
37 |
|
A |
1 |
1 |
9084 |
◊ |
D |
-x+1,-x+y,-z+1 |
6_656 |
1 |
1 |
1660 |
3.4 |
0.1 |
0.720 |
0 |
0 |
0 |
0.000 |
33 |
38 |
|
C |
1 |
1 |
1869 |
◊ |
[ACE]D:499 |
-x+1,-x+y,-z+1 |
6_656 |
1 |
1 |
171 |
1.7 |
-0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
|