## |
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 |
|
E |
87 |
17 |
3846 |
◊ |
B |
x,y,z |
1_555 |
77 |
19 |
3835 |
750.8 |
-9.1 |
0.426 |
6 |
2 |
0 |
0.856 |
2 |
|
D |
88 |
17 |
3749 |
◊ |
A |
x,y,z |
1_555 |
75 |
18 |
3831 |
748.6 |
-9.7 |
0.395 |
4 |
0 |
0 |
0.856 |
3 |
|
F |
76 |
16 |
3807 |
◊ |
C |
x,y,z |
1_555 |
77 |
18 |
3869 |
680.4 |
-9.9 |
0.453 |
2 |
0 |
0 |
0.856 |
Average: |
726.6 |
-9.6 |
0.424 |
4 |
1 |
0 |
0.856 |
2 |
4 |
|
B |
64 |
17 |
3835 |
◊ |
A |
x,y,z |
1_555 |
59 |
16 |
3831 |
609.2 |
-12.7 |
0.215 |
2 |
0 |
0 |
0.937 |
5 |
|
C |
65 |
18 |
3869 |
◊ |
B |
x,y,z |
1_555 |
61 |
16 |
3835 |
603.6 |
-12.4 |
0.248 |
3 |
0 |
0 |
0.937 |
6 |
|
C |
53 |
16 |
3869 |
◊ |
A |
x,y,z |
1_555 |
63 |
17 |
3831 |
563.1 |
-11.3 |
0.232 |
3 |
0 |
0 |
0.937 |
Average: |
592.0 |
-12.1 |
0.232 |
3 |
0 |
0 |
0.937 |
3 |
7 |
|
D |
59 |
14 |
3749 |
◊ |
B |
x,y,z |
1_555 |
55 |
15 |
3835 |
577.6 |
-8.9 |
0.256 |
3 |
0 |
0 |
0.873 |
8 |
|
E |
54 |
14 |
3846 |
◊ |
C |
x,y,z |
1_555 |
55 |
16 |
3869 |
574.0 |
-9.7 |
0.211 |
3 |
1 |
0 |
0.873 |
9 |
|
F |
58 |
14 |
3807 |
◊ |
A |
x,y,z |
1_555 |
52 |
15 |
3831 |
540.4 |
-8.4 |
0.289 |
2 |
0 |
0 |
0.873 |
Average: |
564.0 |
-9.0 |
0.252 |
3 |
0 |
0 |
0.873 |
4 |
10 |
|
F |
27 |
7 |
3807 |
◊ |
C |
x-y,-y+1,-z+2/3 |
5_565 |
27 |
6 |
3869 |
236.4 |
0.4 |
0.837 |
3 |
0 |
0 |
0.000 |
5 |
11 |
|
D |
17 |
4 |
3749 |
◊ |
E |
-y+1,x-y,z+1/3 |
2_655 |
18 |
5 |
3846 |
138.2 |
-3.3 |
0.237 |
0 |
0 |
0 |
0.120 |
6 |
12 |
|
C |
12 |
3 |
3869 |
◊ |
A |
x-y,-y+1,-z+2/3 |
5_565 |
17 |
3 |
3831 |
118.1 |
-0.6 |
0.690 |
3 |
0 |
0 |
0.000 |
7 |
13 |
|
D |
9 |
3 |
3749 |
◊ |
C |
-y+1,x-y,z+1/3 |
2_655 |
14 |
4 |
3869 |
109.8 |
-0.7 |
0.626 |
0 |
0 |
0 |
0.014 |
8 |
14 |
|
F |
13 |
3 |
3807 |
◊ |
A |
x-y,-y+1,-z+2/3 |
5_565 |
9 |
3 |
3831 |
99.3 |
-1.0 |
0.513 |
1 |
0 |
0 |
0.000 |
9 |
15 |
|
B |
12 |
4 |
3835 |
◊ |
E |
-y+1,x-y,z+1/3 |
2_655 |
8 |
3 |
3846 |
93.2 |
-0.2 |
0.659 |
0 |
0 |
0 |
0.003 |
10 |
16 |
|
[ACE]B:2545 |
3 |
1 |
171 |
cf |
B |
x,y,z |
1_555 |
8 |
3 |
3835 |
77.0 |
-0.5 |
0.798 |
2 |
0 |
0 |
0.223 |
11 |
17 |
|
[ACE]A:1545 |
3 |
1 |
171 |
cf |
A |
x,y,z |
1_555 |
8 |
4 |
3831 |
72.8 |
-0.3 |
0.809 |
2 |
0 |
0 |
0.258 |
12 |
18 |
|
[ACE]E:2627 |
3 |
1 |
172 |
cf |
E |
x,y,z |
1_555 |
8 |
3 |
3846 |
71.4 |
-0.4 |
0.772 |
2 |
0 |
0 |
0.053 |
13 |
19 |
|
[ACE]D:1627 |
3 |
1 |
172 |
cf |
D |
x,y,z |
1_555 |
10 |
4 |
3749 |
66.1 |
-0.3 |
0.774 |
2 |
0 |
0 |
0.253 |
20 |
|
[ACE]F:3627 |
3 |
1 |
171 |
cf |
F |
x,y,z |
1_555 |
9 |
4 |
3807 |
64.3 |
-0.3 |
0.779 |
2 |
0 |
0 |
0.253 |
Average: |
65.2 |
-0.3 |
0.777 |
2 |
0 |
0 |
0.253 |
14 |
21 |
|
C |
9 |
2 |
3869 |
x |
C |
x-y,-y+1,-z+2/3 |
5_565 |
9 |
3 |
3869 |
63.8 |
1.2 |
0.884 |
0 |
3 |
0 |
0.000 |
15 |
22 |
|
[NH2]C:3582 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
7 |
4 |
3869 |
58.7 |
0.9 |
0.827 |
0 |
0 |
0 |
0.000 |
23 |
|
[NH2]B:2582 |
1 |
1 |
117 |
cf |
B |
x,y,z |
1_555 |
6 |
4 |
3835 |
55.1 |
0.8 |
0.804 |
0 |
0 |
0 |
0.000 |
24 |
|
[NH2]A:1582 |
1 |
1 |
117 |
cf |
A |
x,y,z |
1_555 |
9 |
5 |
3831 |
49.0 |
0.7 |
0.829 |
0 |
0 |
0 |
0.000 |
Average: |
54.3 |
0.8 |
0.820 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
[ACE]C:3545 |
3 |
1 |
172 |
cf |
C |
x,y,z |
1_555 |
7 |
4 |
3869 |
57.5 |
-0.3 |
0.799 |
2 |
0 |
0 |
0.357 |
17 |
26 |
|
F |
10 |
3 |
3807 |
x |
F |
x-y,-y+1,-z+2/3 |
5_565 |
6 |
1 |
3807 |
57.4 |
-0.0 |
0.646 |
2 |
0 |
0 |
0.000 |
18 |
27 |
|
[NH2]E:2662 |
1 |
1 |
117 |
cf |
E |
x,y,z |
1_555 |
7 |
4 |
3846 |
57.1 |
0.8 |
0.762 |
0 |
0 |
0 |
0.000 |
28 |
|
[NH2]D:1662 |
1 |
1 |
117 |
cf |
D |
x,y,z |
1_555 |
5 |
3 |
3749 |
56.4 |
0.7 |
0.727 |
0 |
0 |
0 |
0.000 |
29 |
|
[NH2]F:3662 |
1 |
1 |
117 |
cf |
F |
x,y,z |
1_555 |
5 |
3 |
3807 |
47.8 |
0.5 |
0.739 |
0 |
0 |
0 |
0.000 |
Average: |
53.7 |
0.7 |
0.743 |
0 |
0 |
0 |
0.000 |
19 |
30 |
|
E |
9 |
3 |
3846 |
◊ |
A |
x-y,-y+1,-z+2/3 |
5_565 |
6 |
1 |
3831 |
54.3 |
0.8 |
0.722 |
1 |
0 |
0 |
0.000 |
20 |
31 |
|
[SO4]E:4001 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
3846 |
53.8 |
-7.4 |
0.747 |
2 |
0 |
0 |
0.338 |
21 |
32 |
|
D |
5 |
2 |
3749 |
◊ |
[SO4]E:4001 |
-y+1,x-y,z+1/3 |
2_655 |
4 |
1 |
185 |
48.9 |
-6.8 |
0.698 |
3 |
0 |
0 |
0.297 |
22 |
33 |
|
[ACE]C:3545 |
3 |
1 |
172 |
◊ |
A |
x-y,-y+1,-z+2/3 |
5_565 |
8 |
4 |
3831 |
43.6 |
-0.5 |
0.765 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
[ACE]D:1627 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
3831 |
37.8 |
-1.0 |
0.553 |
0 |
0 |
0 |
0.076 |
24 |
35 |
|
F |
5 |
2 |
3807 |
◊ |
[ACE]F:3627 |
x-y,-y+1,-z+2/3 |
5_565 |
2 |
1 |
171 |
34.6 |
-0.4 |
0.824 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
[ACE]A:1545 |
3 |
1 |
171 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
3807 |
33.7 |
-0.9 |
0.366 |
0 |
0 |
0 |
0.082 |
26 |
37 |
|
[NH2]F:3662 |
1 |
1 |
117 |
◊ |
C |
x-y,-y+1,-z+2/3 |
5_565 |
6 |
2 |
3869 |
33.2 |
0.5 |
0.882 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
[ACE]F:3627 |
3 |
1 |
171 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
3869 |
33.1 |
-0.9 |
0.522 |
0 |
0 |
0 |
0.071 |
28 |
39 |
|
F |
2 |
1 |
3807 |
◊ |
D |
y,x,-z+1 |
4_556 |
3 |
1 |
3749 |
31.4 |
1.4 |
0.857 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
[ACE]D:1627 |
2 |
1 |
172 |
◊ |
[SO4]E:4001 |
-y+1,x-y,z+1/3 |
2_655 |
3 |
1 |
185 |
30.4 |
-3.4 |
0.939 |
0 |
0 |
0 |
0.125 |
30 |
41 |
|
[ACE]E:2627 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
3835 |
30.2 |
-0.8 |
0.538 |
0 |
0 |
0 |
0.030 |
31 |
42 |
|
[SO4]E:4001 |
3 |
1 |
185 |
f |
[ACE]E:2627 |
x,y,z |
1_555 |
2 |
1 |
172 |
29.7 |
-3.3 |
0.939 |
0 |
0 |
0 |
0.136 |
32 |
43 |
|
[NH2]B:2582 |
1 |
1 |
117 |
◊ |
E |
-y+1,x-y,z+1/3 |
2_655 |
5 |
2 |
3846 |
29.5 |
0.4 |
0.820 |
0 |
0 |
0 |
0.000 |
33 |
44 |
|
[ACE]B:2545 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
3831 |
26.1 |
-0.5 |
0.378 |
0 |
0 |
0 |
0.013 |
34 |
45 |
|
[ACE]C:3545 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
3835 |
22.7 |
-0.5 |
0.358 |
0 |
0 |
0 |
0.012 |
35 |
46 |
|
D |
2 |
1 |
3749 |
◊ |
[NH2]C:3582 |
-y+1,x-y,z+1/3 |
2_655 |
1 |
1 |
117 |
20.2 |
0.4 |
0.873 |
0 |
0 |
0 |
0.000 |
36 |
47 |
|
[ACE]C:3545 |
1 |
1 |
172 |
◊ |
[NH2]A:1582 |
x-y,-y+1,-z+2/3 |
5_565 |
1 |
1 |
117 |
19.5 |
-0.0 |
0.816 |
0 |
0 |
0 |
0.000 |
48 |
|
[NH2]F:3662 |
1 |
1 |
117 |
◊ |
[ACE]F:3627 |
x-y,-y+1,-z+2/3 |
5_565 |
1 |
1 |
171 |
13.8 |
-0.1 |
0.816 |
0 |
0 |
0 |
0.000 |
Average: |
16.6 |
-0.1 |
0.816 |
0 |
0 |
0 |
0.000 |
37 |
49 |
|
[ACE]B:2545 |
2 |
1 |
171 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
3749 |
17.6 |
-0.4 |
0.549 |
0 |
0 |
0 |
0.034 |
38 |
50 |
|
[ACE]A:1545 |
1 |
1 |
171 |
◊ |
A |
x-y,-y+1,-z+2/3 |
5_565 |
2 |
1 |
3831 |
17.2 |
-0.1 |
0.739 |
0 |
0 |
0 |
0.000 |
39 |
51 |
|
A |
1 |
1 |
3831 |
x |
A |
x-y,-y+1,-z+2/3 |
5_565 |
3 |
1 |
3831 |
15.7 |
-0.5 |
0.297 |
0 |
0 |
0 |
0.000 |
40 |
52 |
|
[ACE]C:3545 |
3 |
1 |
172 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
3846 |
14.9 |
-0.5 |
0.618 |
0 |
0 |
0 |
0.019 |
41 |
53 |
|
C |
2 |
2 |
3869 |
◊ |
[NH2]A:1582 |
x-y,-y+1,-z+2/3 |
5_565 |
1 |
1 |
117 |
13.3 |
0.1 |
0.710 |
0 |
0 |
0 |
0.000 |
42 |
54 |
|
[ACE]A:1545 |
2 |
1 |
171 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
3869 |
12.6 |
-0.2 |
0.468 |
0 |
0 |
0 |
0.005 |
43 |
55 |
|
B |
2 |
2 |
3835 |
◊ |
[SO4]E:4001 |
-y+1,x-y,z+1/3 |
2_655 |
2 |
1 |
185 |
7.0 |
-0.8 |
0.779 |
0 |
0 |
0 |
0.015 |
44 |
56 |
|
[SO4]E:4001 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
3869 |
4.7 |
-0.5 |
0.814 |
0 |
0 |
0 |
0.019 |
45 |
57 |
|
[ACE]D:1627 |
1 |
1 |
172 |
◊ |
C |
-y+1,x-y,z+1/3 |
2_655 |
1 |
1 |
3869 |
4.1 |
-0.0 |
0.727 |
0 |
0 |
0 |
0.000 |
46 |
58 |
|
A |
1 |
1 |
3831 |
◊ |
[SO4]E:4001 |
-y+1,x-y,z+1/3 |
2_655 |
1 |
1 |
185 |
3.8 |
-0.5 |
0.595 |
0 |
0 |
0 |
0.009 |
47 |
59 |
|
[NH2]F:3662 |
1 |
1 |
117 |
◊ |
F |
x-y,-y+1,-z+2/3 |
5_565 |
2 |
1 |
3807 |
3.3 |
0.0 |
0.828 |
0 |
0 |
0 |
0.000 |
48 |
60 |
|
[ACE]A:1545 |
1 |
1 |
171 |
◊ |
[NH2]A:1582 |
x-y,-y+1,-z+2/3 |
5_565 |
1 |
1 |
117 |
3.0 |
-0.0 |
0.816 |
0 |
0 |
0 |
0.000 |
49 |
61 |
|
B |
1 |
1 |
3835 |
◊ |
[ACE]E:2627 |
-y+1,x-y,z+1/3 |
2_655 |
1 |
1 |
172 |
1.2 |
-0.0 |
0.618 |
0 |
0 |
0 |
0.000 |
50 |
62 |
|
[NH2]E:2662 |
1 |
1 |
117 |
◊ |
A |
x-y,-y+1,-z+2/3 |
5_565 |
1 |
1 |
3831 |
0.5 |
0.0 |
0.886 |
0 |
0 |
0 |
0.000 |
|