## |
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:202 |
43 |
1 |
824 |
cf |
A |
x,y,z |
1_555 |
74 |
22 |
6367 |
565.6 |
-20.0 |
0.285 |
0 |
0 |
0 |
0.315 |
2 |
|
[HEC]B:204 |
43 |
1 |
831 |
cf |
B |
x,y,z |
1_555 |
72 |
21 |
6462 |
561.8 |
-17.3 |
0.466 |
0 |
0 |
0 |
0.315 |
3 |
|
[HEC]C:204 |
43 |
1 |
823 |
cf |
C |
x,y,z |
1_555 |
77 |
22 |
6209 |
560.7 |
-19.9 |
0.300 |
0 |
0 |
0 |
0.315 |
4 |
|
[HEC]D:203 |
42 |
1 |
819 |
cf |
D |
x,y,z |
1_555 |
75 |
21 |
6394 |
557.3 |
-19.3 |
0.297 |
0 |
0 |
0 |
0.315 |
Average: |
561.4 |
-19.1 |
0.337 |
0 |
0 |
0 |
0.315 |
2 |
5 |
|
C |
54 |
15 |
6209 |
◊ |
C |
x-y+1/3,-y+2/3,-z-1/3 |
17_554 |
54 |
15 |
6209 |
555.7 |
3.8 |
0.916 |
8 |
2 |
0 |
0.000 |
3 |
6 |
|
D |
41 |
12 |
6394 |
x |
A |
x,y,z |
1_555 |
49 |
14 |
6367 |
418.0 |
-3.9 |
0.340 |
2 |
2 |
0 |
0.096 |
7 |
|
D |
47 |
14 |
6394 |
x |
C |
x,y,z |
1_555 |
48 |
14 |
6209 |
417.5 |
-5.0 |
0.304 |
1 |
4 |
0 |
0.096 |
8 |
|
C |
51 |
14 |
6209 |
x |
A |
x,y,z |
1_555 |
42 |
12 |
6367 |
417.2 |
-5.5 |
0.238 |
1 |
2 |
0 |
0.096 |
9 |
|
B |
43 |
13 |
6462 |
x |
B |
-y,x-y,z |
2_555 |
40 |
13 |
6462 |
384.4 |
-4.4 |
0.246 |
2 |
3 |
0 |
0.096 |
Average: |
409.3 |
-4.7 |
0.282 |
2 |
3 |
0 |
0.096 |
4 |
10 |
|
B |
30 |
9 |
6462 |
◊ |
B |
x-y,-y,-z-1 |
5_554 |
30 |
9 |
6462 |
278.2 |
-1.8 |
0.442 |
4 |
0 |
0 |
0.000 |
5 |
11 |
|
B |
32 |
12 |
6462 |
◊ |
A |
x,y,z |
1_555 |
23 |
9 |
6367 |
233.3 |
1.6 |
0.757 |
4 |
9 |
0 |
0.012 |
12 |
|
D |
26 |
11 |
6394 |
◊ |
C |
-y,x-y,z |
2_555 |
24 |
10 |
6209 |
224.9 |
0.2 |
0.696 |
2 |
5 |
0 |
0.012 |
Average: |
229.1 |
0.9 |
0.727 |
3 |
7 |
0 |
0.012 |
6 |
13 |
|
B |
18 |
7 |
6462 |
◊ |
A |
y-1/3,x+1/3,-z-2/3 |
10_454 |
20 |
6 |
6367 |
165.1 |
3.0 |
0.893 |
3 |
0 |
0 |
0.000 |
7 |
14 |
|
D |
19 |
5 |
6394 |
◊ |
D |
-x-2/3,-x+y-1/3,-z-1/3 |
18_444 |
18 |
5 |
6394 |
140.7 |
1.1 |
0.773 |
2 |
2 |
0 |
0.000 |
8 |
15 |
|
C |
14 |
4 |
6209 |
x |
B |
x,y,z |
1_555 |
14 |
5 |
6462 |
137.0 |
0.6 |
0.707 |
3 |
2 |
0 |
0.014 |
16 |
|
A |
13 |
4 |
6367 |
x |
B |
-y,x-y,z |
2_555 |
13 |
3 |
6462 |
131.5 |
1.0 |
0.727 |
3 |
2 |
0 |
0.014 |
17 |
|
A |
14 |
3 |
6367 |
x |
C |
-y,x-y,z |
2_555 |
14 |
5 |
6209 |
129.2 |
0.1 |
0.660 |
3 |
2 |
0 |
0.014 |
18 |
|
D |
13 |
4 |
6394 |
x |
D |
-y,x-y,z |
2_555 |
14 |
3 |
6394 |
127.2 |
-0.2 |
0.608 |
2 |
2 |
0 |
0.014 |
Average: |
131.2 |
0.4 |
0.675 |
3 |
2 |
0 |
0.014 |
9 |
19 |
|
A |
19 |
8 |
6367 |
◊ |
A |
y-1/3,x+1/3,-z-2/3 |
10_454 |
20 |
8 |
6367 |
132.9 |
2.0 |
0.839 |
0 |
0 |
0 |
0.000 |
10 |
20 |
|
C |
13 |
4 |
6209 |
◊ |
A |
x-y+1/3,-y+2/3,-z-1/3 |
17_554 |
13 |
5 |
6367 |
107.0 |
-0.3 |
0.604 |
0 |
0 |
0 |
0.000 |
11 |
21 |
|
[HEC]B:204 |
6 |
1 |
831 |
◊ |
A |
y-1/3,x+1/3,-z-2/3 |
10_454 |
8 |
3 |
6367 |
67.1 |
-1.3 |
0.736 |
0 |
0 |
0 |
0.000 |
12 |
22 |
|
[HAE]A:201 |
5 |
1 |
204 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
6367 |
64.6 |
0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
13 |
23 |
|
[HAE]B:203 |
4 |
1 |
205 |
cf |
B |
x,y,z |
1_555 |
10 |
4 |
6462 |
63.8 |
0.3 |
0.146 |
0 |
0 |
0 |
0.003 |
24 |
|
[HAE]D:202 |
4 |
1 |
205 |
cf |
D |
x,y,z |
1_555 |
9 |
4 |
6394 |
55.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
59.7 |
-0.0 |
0.073 |
0 |
0 |
0 |
0.003 |
14 |
25 |
|
[HAE]C:203 |
4 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
6367 |
52.4 |
0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
15 |
26 |
|
[HAE]C:203 |
4 |
1 |
206 |
cf |
C |
x,y,z |
1_555 |
13 |
5 |
6209 |
51.9 |
0.1 |
0.202 |
0 |
0 |
0 |
0.000 |
16 |
27 |
|
[FE]B:202 |
1 |
1 |
137 |
x |
[HAE]B:203 |
x,y,z |
1_555 |
4 |
1 |
205 |
50.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.078 |
28 |
|
[FE]C:206 |
1 |
1 |
137 |
x |
[HAE]D:202 |
x,y,z |
1_555 |
4 |
1 |
205 |
37.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.078 |
29 |
|
[FE]C:206 |
1 |
1 |
137 |
x |
[HAE]A:201 |
x,y,z |
1_555 |
4 |
1 |
204 |
35.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.078 |
30 |
|
[FE]C:206 |
1 |
1 |
137 |
x |
[HAE]C:203 |
x,y,z |
1_555 |
4 |
1 |
206 |
35.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
39.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.078 |
17 |
31 |
|
[ZN]B:201 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
6462 |
42.3 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.438 |
32 |
|
[ZN]D:201 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
6394 |
41.8 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.438 |
33 |
|
[ZN]C:205 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
6 |
2 |
6367 |
41.5 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.438 |
34 |
|
[ZN]C:201 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
6209 |
41.5 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.438 |
Average: |
41.8 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.438 |
18 |
35 |
|
[HAE]B:203 |
4 |
1 |
205 |
x |
[HAE]B:203 |
-y,x-y,z |
2_555 |
4 |
1 |
205 |
41.3 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
19 |
36 |
|
[ZN]C:202 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
6209 |
36.6 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.304 |
37 |
|
[ZN]B:205 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
6367 |
36.4 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.304 |
38 |
|
[ZN]B:205 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6462 |
35.5 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.304 |
39 |
|
D |
6 |
2 |
6394 |
c |
[ZN]C:202 |
-y,x-y,z |
2_555 |
1 |
1 |
98 |
35.3 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.304 |
Average: |
35.9 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.304 |
20 |
40 |
|
[HAE]D:202 |
4 |
1 |
205 |
◊ |
[HAE]C:203 |
x,y,z |
1_555 |
4 |
1 |
206 |
36.2 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
21 |
41 |
|
[HAE]D:202 |
4 |
1 |
205 |
◊ |
[HAE]A:201 |
x,y,z |
1_555 |
4 |
1 |
204 |
33.5 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
22 |
42 |
|
[HAE]A:201 |
3 |
1 |
204 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
6394 |
33.1 |
0.6 |
0.726 |
0 |
0 |
0 |
0.000 |
23 |
43 |
|
[HAE]C:203 |
4 |
1 |
206 |
◊ |
[HAE]A:201 |
x,y,z |
1_555 |
4 |
1 |
204 |
32.9 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
24 |
44 |
|
[ZN]D:201 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
6367 |
32.2 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.215 |
45 |
|
[ZN]C:201 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
6394 |
31.7 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.215 |
46 |
|
[ZN]B:201 |
1 |
1 |
98 |
◊ |
B |
-y,x-y,z |
2_555 |
3 |
1 |
6462 |
31.1 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.215 |
47 |
|
[ZN]C:205 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
6209 |
31.0 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.215 |
Average: |
31.5 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.215 |
25 |
48 |
|
[HAE]D:202 |
4 |
1 |
205 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
6209 |
31.2 |
0.5 |
0.624 |
0 |
0 |
0 |
0.000 |
26 |
49 |
|
B |
4 |
3 |
6462 |
◊ |
[HAE]B:203 |
-y,x-y,z |
2_555 |
4 |
1 |
205 |
28.3 |
1.0 |
0.867 |
0 |
0 |
0 |
0.000 |
27 |
50 |
|
[FE]C:206 |
1 |
1 |
137 |
x |
A |
x,y,z |
1_555 |
4 |
3 |
6367 |
21.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.028 |
51 |
|
[FE]B:202 |
1 |
1 |
137 |
x |
B |
x,y,z |
1_555 |
3 |
2 |
6462 |
14.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.028 |
52 |
|
[FE]C:206 |
1 |
1 |
137 |
x |
C |
x,y,z |
1_555 |
2 |
1 |
6209 |
9.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.028 |
53 |
|
[FE]C:206 |
1 |
1 |
137 |
x |
D |
x,y,z |
1_555 |
2 |
1 |
6394 |
8.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
13.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.028 |
28 |
54 |
|
[HEC]A:202 |
3 |
1 |
824 |
◊ |
[HEC]A:202 |
y-1/3,x+1/3,-z-2/3 |
10_454 |
3 |
1 |
824 |
10.9 |
-0.4 |
0.914 |
0 |
0 |
0 |
0.000 |
29 |
55 |
|
D |
1 |
1 |
6394 |
◊ |
B |
y-1/3,x+1/3,-z-2/3 |
10_454 |
2 |
1 |
6462 |
9.8 |
0.4 |
0.806 |
0 |
0 |
0 |
0.000 |
30 |
56 |
|
[HEC]C:204 |
1 |
1 |
823 |
◊ |
C |
x-y+1/3,-y+2/3,-z-1/3 |
17_554 |
1 |
1 |
6209 |
9.0 |
0.0 |
0.720 |
0 |
0 |
0 |
0.000 |
31 |
57 |
|
[HAE]D:202 |
1 |
1 |
205 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6367 |
5.9 |
-0.0 |
0.572 |
0 |
0 |
0 |
0.000 |
32 |
58 |
|
[HEC]A:202 |
2 |
1 |
824 |
◊ |
A |
y-1/3,x+1/3,-z-2/3 |
10_454 |
3 |
1 |
6367 |
3.9 |
-0.1 |
0.736 |
0 |
0 |
0 |
0.000 |
33 |
59 |
|
[HAE]C:203 |
1 |
1 |
206 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
6394 |
1.5 |
-0.1 |
0.600 |
0 |
0 |
0 |
0.000 |
34 |
60 |
|
[HAE]A:201 |
1 |
1 |
204 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6209 |
0.2 |
-0.0 |
0.769 |
0 |
0 |
0 |
0.000 |
|