## |
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:902 |
43 |
1 |
828 |
cf |
A |
x,y,z |
1_555 |
86 |
32 |
36733 |
572.1 |
-20.7 |
0.328 |
1 |
0 |
0 |
0.006 |
2 |
2 |
|
[HEC]A:904 |
43 |
1 |
841 |
cf |
A |
x,y,z |
1_555 |
74 |
26 |
36733 |
552.3 |
-19.8 |
0.227 |
2 |
0 |
0 |
0.006 |
3 |
3 |
|
[HEC]A:905 |
43 |
1 |
815 |
cf |
A |
x,y,z |
1_555 |
67 |
21 |
36733 |
545.8 |
-20.1 |
0.220 |
5 |
0 |
0 |
0.006 |
4 |
4 |
|
[HEC]A:909 |
43 |
1 |
842 |
cf |
A |
x,y,z |
1_555 |
84 |
32 |
36733 |
545.8 |
-21.0 |
0.163 |
2 |
0 |
0 |
0.006 |
5 |
5 |
|
[HEC]A:908 |
43 |
1 |
831 |
cf |
A |
x,y,z |
1_555 |
85 |
30 |
36733 |
543.7 |
-17.3 |
0.588 |
7 |
0 |
0 |
0.006 |
6 |
6 |
|
[HEC]A:906 |
43 |
1 |
834 |
cf |
A |
x,y,z |
1_555 |
73 |
28 |
36733 |
542.0 |
-18.9 |
0.356 |
3 |
0 |
0 |
0.006 |
7 |
7 |
|
[HEC]A:903 |
43 |
1 |
827 |
cf |
A |
x,y,z |
1_555 |
79 |
33 |
36733 |
539.1 |
-20.8 |
0.147 |
7 |
0 |
0 |
0.007 |
8 |
8 |
|
[HEC]A:901 |
43 |
1 |
807 |
cf |
A |
x,y,z |
1_555 |
62 |
28 |
36733 |
535.2 |
-21.0 |
0.048 |
0 |
0 |
0 |
0.006 |
9 |
9 |
|
[HEC]A:907 |
43 |
1 |
824 |
cf |
A |
x,y,z |
1_555 |
72 |
24 |
36733 |
491.6 |
-16.6 |
0.644 |
6 |
0 |
0 |
0.005 |
10 |
10 |
|
[HEC]A:910 |
42 |
1 |
830 |
cf |
A |
x,y,z |
1_555 |
59 |
21 |
36733 |
462.6 |
-16.1 |
0.144 |
2 |
0 |
0 |
0.005 |
11 |
11 |
|
[HEC]A:911 |
41 |
1 |
849 |
cf |
A |
x,y,z |
1_555 |
57 |
16 |
36733 |
457.8 |
-15.5 |
0.253 |
1 |
0 |
0 |
0.004 |
12 |
12 |
|
A |
45 |
17 |
36733 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
40 |
17 |
36733 |
387.3 |
-1.7 |
0.632 |
4 |
2 |
0 |
0.000 |
13 |
13 |
|
A |
25 |
9 |
36733 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
31 |
12 |
36733 |
249.1 |
-1.1 |
0.622 |
4 |
2 |
0 |
0.000 |
14 |
14 |
|
[HEC]A:911 |
26 |
1 |
849 |
f |
[HEC]A:910 |
x,y,z |
1_555 |
19 |
1 |
830 |
144.6 |
-6.4 |
0.990 |
0 |
0 |
0 |
0.002 |
15 |
15 |
|
[NTA]A:923 |
12 |
1 |
324 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
36733 |
141.3 |
-1.0 |
0.492 |
3 |
0 |
0 |
0.000 |
16 |
16 |
|
[GOL]A:928 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
36733 |
129.6 |
0.2 |
0.685 |
5 |
0 |
0 |
0.000 |
17 |
17 |
|
[GOL]A:927 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
36733 |
122.8 |
0.3 |
0.694 |
7 |
0 |
0 |
0.000 |
18 |
18 |
|
[GOL]A:926 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
36733 |
117.2 |
1.0 |
0.749 |
2 |
0 |
0 |
0.000 |
19 |
19 |
|
[HEC]A:904 |
17 |
1 |
841 |
f |
[HEC]A:903 |
x,y,z |
1_555 |
17 |
1 |
827 |
115.0 |
-3.8 |
0.996 |
0 |
0 |
0 |
0.002 |
20 |
|
[HEC]A:910 |
19 |
1 |
830 |
f |
[HEC]A:909 |
x,y,z |
1_555 |
16 |
1 |
842 |
114.0 |
-4.0 |
0.995 |
0 |
0 |
0 |
0.002 |
Average: |
114.5 |
-3.9 |
0.995 |
0 |
0 |
0 |
0.002 |
20 |
21 |
|
A |
11 |
4 |
36733 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
12 |
4 |
36733 |
114.6 |
-0.4 |
0.586 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[GOL]A:925 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
36733 |
99.6 |
-0.7 |
0.531 |
1 |
0 |
0 |
0.000 |
22 |
23 |
|
[NTA]A:918 |
8 |
1 |
326 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
36733 |
88.9 |
-2.2 |
0.370 |
2 |
0 |
0 |
0.000 |
23 |
24 |
|
[NTA]A:924 |
9 |
1 |
325 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
36733 |
83.7 |
-0.3 |
0.553 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
[NTA]A:919 |
8 |
1 |
325 |
f |
[HEC]A:907 |
x,y,z |
1_555 |
13 |
1 |
824 |
75.5 |
-0.7 |
0.717 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[NTA]A:919 |
8 |
1 |
325 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
36733 |
74.9 |
0.7 |
0.674 |
3 |
0 |
0 |
0.000 |
26 |
27 |
|
[GOL]A:926 |
5 |
1 |
219 |
f |
[HEC]A:902 |
x,y,z |
1_555 |
15 |
1 |
828 |
73.5 |
-1.7 |
0.645 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[HEC]A:903 |
6 |
1 |
827 |
f |
[HEC]A:901 |
x,y,z |
1_555 |
16 |
1 |
807 |
72.2 |
-2.5 |
0.882 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
[HEC]A:909 |
6 |
1 |
842 |
f |
[HEC]A:906 |
x,y,z |
1_555 |
16 |
1 |
834 |
71.1 |
-2.4 |
0.892 |
0 |
0 |
0 |
0.000 |
29 |
30 |
|
[HEC]A:908 |
5 |
1 |
831 |
f |
[HEC]A:906 |
x,y,z |
1_555 |
8 |
1 |
834 |
68.5 |
-2.7 |
0.782 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[HEC]A:908 |
9 |
1 |
831 |
f |
[HEC]A:907 |
x,y,z |
1_555 |
16 |
1 |
824 |
68.1 |
-3.1 |
0.970 |
0 |
0 |
0 |
0.000 |
31 |
32 |
|
[HEC]A:905 |
5 |
1 |
815 |
f |
[HEC]A:904 |
x,y,z |
1_555 |
5 |
1 |
841 |
62.1 |
-2.0 |
0.793 |
0 |
0 |
0 |
0.000 |
32 |
33 |
|
[HEC]A:902 |
4 |
1 |
828 |
f |
[HEC]A:901 |
x,y,z |
1_555 |
5 |
1 |
807 |
61.1 |
-2.4 |
0.651 |
0 |
0 |
0 |
0.000 |
33 |
34 |
|
A |
7 |
3 |
36733 |
◊ |
[HEC]A:907 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
824 |
56.5 |
-1.5 |
0.403 |
0 |
0 |
0 |
0.000 |
34 |
35 |
|
[MG]A:914 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
36733 |
51.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.002 |
35 |
36 |
|
[HEC]A:910 |
5 |
1 |
830 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
1 |
36733 |
47.5 |
-1.9 |
0.562 |
0 |
0 |
0 |
0.000 |
36 |
37 |
|
A |
6 |
2 |
36733 |
◊ |
[HEC]A:905 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
815 |
47.1 |
-1.0 |
0.548 |
0 |
0 |
0 |
0.000 |
37 |
38 |
|
[FE]A:921 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
36733 |
43.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
39 |
|
[NTA]A:918 |
7 |
1 |
326 |
f |
[FE]A:915 |
x,y,z |
1_555 |
1 |
1 |
137 |
43.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.003 |
40 |
|
[NTA]A:919 |
5 |
1 |
325 |
f |
[FE]A:916 |
x,y,z |
1_555 |
1 |
1 |
137 |
42.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
42.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.003 |
39 |
41 |
|
[NTA]A:924 |
6 |
1 |
325 |
f |
[FE]A:920 |
x,y,z |
1_555 |
1 |
1 |
137 |
42.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.003 |
42 |
|
[NTA]A:923 |
6 |
1 |
324 |
f |
[FE]A:921 |
x,y,z |
1_555 |
1 |
1 |
137 |
40.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
41.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.003 |
40 |
43 |
|
[MG]A:913 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
36733 |
38.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.002 |
41 |
44 |
|
[CA]A:912 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
36733 |
35.2 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.002 |
42 |
45 |
|
[FE]A:920 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
36733 |
32.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
46 |
|
[FE]A:916 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
36733 |
29.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.001 |
47 |
|
[FE]A:915 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
36733 |
28.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
29.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.001 |
44 |
48 |
|
[NTA]A:924 |
4 |
1 |
325 |
f |
[NTA]A:923 |
x,y,z |
1_555 |
3 |
1 |
324 |
28.6 |
-2.1 |
0.270 |
0 |
0 |
0 |
0.000 |
45 |
49 |
|
[CA]A:912 |
1 |
1 |
85 |
f |
[HEC]A:902 |
x,y,z |
1_555 |
3 |
1 |
828 |
27.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.002 |
46 |
50 |
|
[MG]A:913 |
1 |
1 |
98 |
f |
[HEC]A:908 |
x,y,z |
1_555 |
3 |
1 |
831 |
26.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.001 |
47 |
51 |
|
[HEC]A:906 |
2 |
1 |
834 |
f |
[HEC]A:901 |
x,y,z |
1_555 |
2 |
1 |
807 |
26.0 |
-0.8 |
0.578 |
0 |
0 |
0 |
0.000 |
48 |
52 |
|
[O]A:922 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
36733 |
24.2 |
0.7 |
0.944 |
0 |
0 |
0 |
0.000 |
49 |
53 |
|
[NTA]A:924 |
5 |
1 |
325 |
f |
[FE]A:921 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.002 |
54 |
|
[NTA]A:923 |
5 |
1 |
324 |
f |
[FE]A:920 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
23.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.002 |
50 |
55 |
|
[NTA]A:919 |
5 |
1 |
325 |
f |
[FE]A:915 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.001 |
56 |
|
[NTA]A:918 |
4 |
1 |
326 |
f |
[FE]A:916 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
23.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.001 |
51 |
57 |
|
[NTA]A:923 |
5 |
1 |
324 |
f |
[O]A:922 |
x,y,z |
1_555 |
1 |
1 |
99 |
23.9 |
-0.6 |
0.571 |
0 |
0 |
0 |
0.000 |
58 |
|
[NTA]A:924 |
5 |
1 |
325 |
f |
[O]A:922 |
x,y,z |
1_555 |
1 |
1 |
99 |
23.4 |
-0.6 |
0.574 |
0 |
0 |
0 |
0.000 |
Average: |
23.7 |
-0.6 |
0.572 |
0 |
0 |
0 |
0.000 |
52 |
59 |
|
[O]A:917 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
36733 |
23.2 |
1.0 |
0.973 |
0 |
0 |
0 |
0.000 |
53 |
60 |
|
[NTA]A:919 |
3 |
1 |
325 |
f |
[O]A:917 |
x,y,z |
1_555 |
1 |
1 |
99 |
22.9 |
0.2 |
0.690 |
0 |
0 |
0 |
0.000 |
61 |
|
[NTA]A:918 |
5 |
1 |
326 |
f |
[O]A:917 |
x,y,z |
1_555 |
1 |
1 |
99 |
22.3 |
-0.4 |
0.603 |
0 |
0 |
0 |
0.000 |
Average: |
22.6 |
-0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
54 |
62 |
|
[FE]A:916 |
1 |
1 |
137 |
f |
[FE]A:915 |
x,y,z |
1_555 |
1 |
1 |
137 |
19.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.001 |
55 |
63 |
|
[NTA]A:919 |
2 |
1 |
325 |
f |
[NTA]A:918 |
x,y,z |
1_555 |
2 |
1 |
326 |
18.4 |
0.3 |
0.463 |
0 |
0 |
0 |
0.000 |
56 |
64 |
|
[O]A:917 |
1 |
1 |
99 |
f |
[FE]A:915 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
65 |
|
[O]A:922 |
1 |
1 |
99 |
f |
[FE]A:921 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
66 |
|
[O]A:922 |
1 |
1 |
99 |
f |
[FE]A:920 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
67 |
|
[O]A:917 |
1 |
1 |
99 |
f |
[FE]A:916 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
60 |
68 |
|
[FE]A:921 |
1 |
1 |
137 |
f |
[FE]A:920 |
x,y,z |
1_555 |
1 |
1 |
137 |
17.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
69 |
|
[GOL]A:927 |
2 |
1 |
221 |
f |
[NTA]A:923 |
x,y,z |
1_555 |
3 |
1 |
324 |
15.4 |
0.2 |
0.537 |
0 |
0 |
0 |
0.000 |
62 |
70 |
|
[FE]A:916 |
1 |
1 |
137 |
f |
[HEC]A:907 |
x,y,z |
1_555 |
4 |
1 |
824 |
5.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
71 |
|
A |
1 |
1 |
36733 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
36733 |
4.1 |
0.1 |
0.766 |
0 |
0 |
0 |
0.000 |
64 |
72 |
|
[NTA]A:918 |
1 |
1 |
326 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
36733 |
1.1 |
0.0 |
0.512 |
0 |
0 |
0 |
0.000 |
|