## |
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 |
|
[HEC]A:907 |
43 |
1 |
835 |
cf |
A |
x,y,z |
1_555 |
94 |
33 |
36867 |
606.7 |
-22.2 |
0.333 |
1 |
0 |
0 |
0.007 |
2 |
2 |
|
[HEC]A:909 |
43 |
1 |
845 |
cf |
A |
x,y,z |
1_555 |
80 |
27 |
36867 |
561.2 |
-20.1 |
0.246 |
2 |
0 |
0 |
0.006 |
3 |
3 |
|
[HEC]A:910 |
43 |
1 |
815 |
cf |
A |
x,y,z |
1_555 |
69 |
21 |
36867 |
547.9 |
-20.0 |
0.240 |
5 |
0 |
0 |
0.007 |
4 |
4 |
|
[HEC]A:902 |
43 |
1 |
840 |
cf |
A |
x,y,z |
1_555 |
82 |
32 |
36867 |
547.2 |
-21.0 |
0.159 |
2 |
0 |
0 |
0.007 |
5 |
5 |
|
[HEC]A:906 |
43 |
1 |
813 |
f |
A |
x,y,z |
1_555 |
65 |
28 |
36867 |
543.0 |
-21.0 |
0.057 |
0 |
0 |
0 |
0.006 |
6 |
6 |
|
[HEC]A:905 |
43 |
1 |
832 |
cf |
A |
x,y,z |
1_555 |
82 |
30 |
36867 |
540.5 |
-17.3 |
0.586 |
6 |
0 |
0 |
0.006 |
7 |
7 |
|
[HEC]A:908 |
43 |
1 |
824 |
f |
A |
x,y,z |
1_555 |
78 |
33 |
36867 |
539.9 |
-19.8 |
0.215 |
7 |
0 |
0 |
0.007 |
8 |
8 |
|
[HEC]A:903 |
43 |
1 |
830 |
cf |
A |
x,y,z |
1_555 |
72 |
29 |
36867 |
524.0 |
-18.2 |
0.349 |
3 |
0 |
0 |
0.006 |
9 |
9 |
|
[HEC]A:904 |
43 |
1 |
830 |
f |
A |
x,y,z |
1_555 |
72 |
24 |
36867 |
500.0 |
-16.4 |
0.651 |
6 |
0 |
0 |
0.006 |
10 |
10 |
|
[HEC]A:911 |
42 |
1 |
837 |
cf |
A |
x,y,z |
1_555 |
60 |
21 |
36867 |
471.3 |
-16.4 |
0.129 |
2 |
0 |
0 |
0.005 |
11 |
11 |
|
[HEC]A:901 |
41 |
1 |
850 |
cf |
A |
x,y,z |
1_555 |
58 |
16 |
36867 |
465.7 |
-15.8 |
0.247 |
1 |
0 |
0 |
0.005 |
12 |
12 |
|
A |
42 |
17 |
36867 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
45 |
17 |
36867 |
363.0 |
-1.6 |
0.628 |
6 |
1 |
0 |
0.000 |
13 |
13 |
|
A |
20 |
6 |
36867 |
x |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
31 |
13 |
36867 |
226.7 |
-0.8 |
0.645 |
4 |
2 |
0 |
0.000 |
14 |
14 |
|
[HEC]A:911 |
20 |
1 |
837 |
f |
[HEC]A:901 |
x,y,z |
1_555 |
25 |
1 |
850 |
146.7 |
-6.9 |
0.990 |
0 |
0 |
0 |
0.002 |
15 |
15 |
|
[HEC]A:909 |
19 |
1 |
845 |
f |
[HEC]A:908 |
x,y,z |
1_555 |
18 |
1 |
824 |
115.3 |
-3.8 |
0.998 |
0 |
0 |
0 |
0.001 |
16 |
16 |
|
[HEC]A:911 |
19 |
1 |
837 |
f |
[HEC]A:902 |
x,y,z |
1_555 |
16 |
1 |
840 |
114.6 |
-4.0 |
0.995 |
0 |
0 |
0 |
0.001 |
17 |
17 |
|
A |
12 |
4 |
36867 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
12 |
4 |
36867 |
107.5 |
-0.4 |
0.614 |
0 |
0 |
0 |
0.000 |
18 |
18 |
|
[GOL]A:922 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
36867 |
103.5 |
-0.7 |
0.510 |
3 |
0 |
0 |
0.000 |
19 |
19 |
|
[FLC]A:918 |
8 |
1 |
314 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
15 |
7 |
36867 |
89.6 |
-0.3 |
0.411 |
2 |
0 |
0 |
0.000 |
20 |
20 |
|
[FLC]A:919 |
10 |
1 |
319 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
36867 |
78.1 |
2.4 |
0.574 |
4 |
0 |
0 |
0.000 |
21 |
21 |
|
[HEC]A:908 |
7 |
1 |
824 |
f |
[HEC]A:906 |
x,y,z |
1_555 |
17 |
1 |
813 |
73.1 |
-2.5 |
0.924 |
0 |
0 |
0 |
0.002 |
22 |
|
[HEC]A:903 |
15 |
1 |
830 |
f |
[HEC]A:902 |
x,y,z |
1_555 |
7 |
1 |
840 |
68.9 |
-2.4 |
0.937 |
0 |
0 |
0 |
0.002 |
Average: |
71.0 |
-2.4 |
0.930 |
0 |
0 |
0 |
0.002 |
22 |
23 |
|
[HEC]A:905 |
6 |
1 |
832 |
f |
[HEC]A:903 |
x,y,z |
1_555 |
8 |
1 |
830 |
67.9 |
-2.7 |
0.828 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
[HEC]A:907 |
5 |
1 |
835 |
f |
[HEC]A:906 |
x,y,z |
1_555 |
5 |
1 |
813 |
67.6 |
-2.8 |
0.648 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
[HEC]A:905 |
9 |
1 |
832 |
f |
[HEC]A:904 |
x,y,z |
1_555 |
15 |
1 |
830 |
66.6 |
-3.0 |
0.971 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[FLC]A:919 |
8 |
1 |
319 |
f |
[HEC]A:904 |
x,y,z |
1_555 |
14 |
1 |
830 |
61.5 |
-0.9 |
0.466 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[HEC]A:910 |
5 |
1 |
815 |
f |
[HEC]A:909 |
x,y,z |
1_555 |
4 |
1 |
845 |
60.2 |
-1.9 |
0.749 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[HEC]A:904 |
4 |
1 |
830 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
8 |
4 |
36867 |
54.3 |
-1.4 |
0.487 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
[GOL]A:922 |
3 |
1 |
219 |
f |
[HEC]A:903 |
x,y,z |
1_555 |
16 |
1 |
830 |
50.7 |
-0.9 |
0.677 |
1 |
0 |
0 |
0.000 |
29 |
30 |
|
[HEC]A:911 |
6 |
1 |
837 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
5 |
2 |
36867 |
50.4 |
-1.8 |
0.632 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[MG]A:912 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
36867 |
49.1 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.002 |
31 |
32 |
|
[FLC]A:919 |
6 |
1 |
319 |
f |
[FLC]A:918 |
x,y,z |
1_555 |
5 |
1 |
314 |
46.1 |
0.8 |
0.505 |
3 |
0 |
0 |
0.000 |
32 |
33 |
|
A |
7 |
2 |
36867 |
◊ |
[HEC]A:910 |
-x-1,y-1/2,-z-1/2 |
3_444 |
3 |
1 |
815 |
43.0 |
-1.0 |
0.568 |
0 |
0 |
0 |
0.000 |
33 |
34 |
|
[FLC]A:920 |
4 |
1 |
315 |
f |
[FLC]A:918 |
x,y,z |
1_555 |
6 |
1 |
314 |
40.8 |
0.4 |
0.438 |
1 |
0 |
0 |
0.000 |
34 |
35 |
|
[FLC]A:920 |
7 |
1 |
315 |
f |
[FLC]A:919 |
x,y,z |
1_555 |
5 |
1 |
319 |
38.2 |
0.6 |
0.460 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
[MG]A:914 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
36867 |
38.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.002 |
36 |
37 |
|
[CA]A:913 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
36867 |
35.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.002 |
37 |
38 |
|
[FLC]A:920 |
7 |
1 |
315 |
f |
[FE]A:915 |
x,y,z |
1_555 |
1 |
1 |
137 |
35.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.003 |
39 |
|
[FLC]A:918 |
5 |
1 |
314 |
f |
[FE]A:916 |
x,y,z |
1_555 |
1 |
1 |
137 |
35.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.003 |
40 |
|
[FLC]A:920 |
6 |
1 |
315 |
f |
[FE]A:917 |
x,y,z |
1_555 |
1 |
1 |
137 |
33.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.003 |
41 |
|
[FLC]A:919 |
5 |
1 |
319 |
f |
[FE]A:915 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
32.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.003 |
38 |
42 |
|
[FLC]A:918 |
5 |
1 |
314 |
f |
[FE]A:917 |
x,y,z |
1_555 |
1 |
1 |
137 |
34.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
[FLC]A:919 |
3 |
1 |
319 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
36867 |
29.9 |
-0.1 |
0.419 |
1 |
0 |
0 |
0.000 |
40 |
44 |
|
[FLC]A:919 |
4 |
1 |
319 |
f |
[FE]A:917 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.001 |
45 |
|
[FLC]A:920 |
4 |
1 |
315 |
f |
[FE]A:916 |
x,y,z |
1_555 |
1 |
1 |
137 |
17.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.001 |
46 |
|
[FLC]A:918 |
5 |
1 |
314 |
f |
[FE]A:915 |
x,y,z |
1_555 |
1 |
1 |
137 |
17.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
21.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.001 |
41 |
47 |
|
[CA]A:913 |
1 |
1 |
85 |
f |
[HEC]A:907 |
x,y,z |
1_555 |
3 |
1 |
835 |
28.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.002 |
42 |
48 |
|
[FLC]A:919 |
5 |
1 |
319 |
f |
[FE]A:916 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
49 |
|
[MG]A:914 |
1 |
1 |
98 |
f |
[HEC]A:905 |
x,y,z |
1_555 |
3 |
1 |
832 |
27.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.001 |
44 |
50 |
|
[HEC]A:906 |
2 |
1 |
813 |
f |
[HEC]A:903 |
x,y,z |
1_555 |
2 |
1 |
830 |
23.4 |
-0.7 |
0.598 |
0 |
0 |
0 |
0.000 |
45 |
51 |
|
[FLC]A:920 |
3 |
1 |
315 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
36867 |
22.8 |
1.0 |
0.621 |
1 |
0 |
0 |
0.000 |
46 |
52 |
|
[O]A:921 |
1 |
1 |
99 |
f |
[FLC]A:918 |
x,y,z |
1_555 |
4 |
1 |
314 |
17.9 |
0.4 |
0.693 |
0 |
0 |
0 |
0.000 |
53 |
|
[O]A:921 |
1 |
1 |
99 |
f |
[FLC]A:919 |
x,y,z |
1_555 |
4 |
1 |
319 |
17.5 |
0.4 |
0.688 |
0 |
0 |
0 |
0.000 |
Average: |
17.7 |
0.4 |
0.690 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
[FE]A:916 |
1 |
1 |
137 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
36867 |
17.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
55 |
|
[FE]A:915 |
1 |
1 |
137 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
36867 |
0.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
9.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
56 |
|
[FE]A:915 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
36867 |
17.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
|
[FE]A:917 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
36867 |
4.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
10.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
58 |
|
[O]A:921 |
1 |
1 |
99 |
f |
[FLC]A:920 |
x,y,z |
1_555 |
4 |
1 |
315 |
17.3 |
0.4 |
0.715 |
0 |
0 |
0 |
0.000 |
50 |
59 |
|
[FE]A:917 |
1 |
1 |
137 |
f |
[FE]A:916 |
x,y,z |
1_555 |
1 |
1 |
137 |
16.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.001 |
51 |
60 |
|
[FE]A:917 |
1 |
1 |
137 |
f |
[FE]A:915 |
x,y,z |
1_555 |
1 |
1 |
137 |
16.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.001 |
52 |
61 |
|
[O]A:921 |
1 |
1 |
99 |
f |
[FE]A:916 |
x,y,z |
1_555 |
1 |
1 |
137 |
16.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
62 |
|
[O]A:921 |
1 |
1 |
99 |
f |
[FE]A:915 |
x,y,z |
1_555 |
1 |
1 |
137 |
16.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
63 |
|
[FE]A:916 |
1 |
1 |
137 |
f |
[FE]A:915 |
x,y,z |
1_555 |
1 |
1 |
137 |
15.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
55 |
64 |
|
[O]A:921 |
1 |
1 |
99 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
36867 |
10.3 |
0.1 |
0.859 |
0 |
0 |
0 |
0.000 |
56 |
65 |
|
[O]A:921 |
1 |
1 |
99 |
f |
[FE]A:917 |
x,y,z |
1_555 |
1 |
1 |
137 |
8.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
66 |
|
[FE]A:915 |
1 |
1 |
137 |
f |
[HEC]A:904 |
x,y,z |
1_555 |
2 |
1 |
830 |
7.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
67 |
|
[FE]A:916 |
1 |
1 |
137 |
f |
[HEC]A:904 |
x,y,z |
1_555 |
1 |
1 |
830 |
3.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
5.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
68 |
|
[O]A:921 |
1 |
1 |
99 |
f |
[HEC]A:904 |
x,y,z |
1_555 |
2 |
1 |
830 |
2.4 |
-0.0 |
0.957 |
0 |
0 |
0 |
0.000 |
|