## |
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 |
|
B |
170 |
44 |
12936 |
◊ |
A |
x,y,z |
1_555 |
164 |
49 |
12904 |
1548.9 |
-17.7 |
0.066 |
22 |
18 |
0 |
0.415 |
2 |
|
C |
171 |
45 |
12898 |
◊ |
B |
x,y,z |
1_555 |
166 |
49 |
12936 |
1541.9 |
-17.8 |
0.062 |
20 |
14 |
0 |
0.415 |
3 |
|
C |
168 |
48 |
12898 |
◊ |
A |
x,y,z |
1_555 |
170 |
45 |
12904 |
1501.3 |
-17.2 |
0.065 |
18 |
13 |
0 |
0.415 |
Average: |
1530.7 |
-17.6 |
0.064 |
20 |
15 |
0 |
0.415 |
2 |
4 |
|
B |
32 |
12 |
12936 |
x |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
25 |
7 |
12936 |
253.2 |
-0.5 |
0.622 |
3 |
0 |
0 |
0.000 |
3 |
5 |
|
C |
22 |
7 |
12898 |
◊ |
A |
x-1,y,z |
1_455 |
27 |
7 |
12904 |
227.5 |
-1.3 |
0.499 |
3 |
1 |
0 |
0.000 |
4 |
6 |
|
B |
20 |
5 |
12936 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
29 |
10 |
12898 |
222.3 |
2.3 |
0.885 |
3 |
4 |
0 |
0.000 |
5 |
7 |
|
C |
19 |
6 |
12898 |
◊ |
B |
-x+3/2,-y+2,z-1/2 |
2_674 |
17 |
6 |
12936 |
160.7 |
0.0 |
0.596 |
2 |
2 |
0 |
0.000 |
6 |
8 |
|
C |
19 |
8 |
12898 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
21 |
7 |
12904 |
153.9 |
0.2 |
0.654 |
2 |
0 |
0 |
0.000 |
7 |
9 |
|
B |
9 |
3 |
12936 |
◊ |
A |
x-1,y,z |
1_455 |
19 |
6 |
12904 |
110.3 |
1.9 |
0.802 |
1 |
2 |
0 |
0.000 |
8 |
10 |
|
C |
10 |
3 |
12898 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
13 |
5 |
12936 |
108.0 |
1.4 |
0.792 |
2 |
1 |
0 |
0.000 |
9 |
11 |
|
A |
11 |
5 |
12904 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
13 |
5 |
12904 |
104.7 |
1.7 |
0.873 |
1 |
2 |
0 |
0.000 |
10 |
12 |
|
[CL]A:1406 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
12904 |
70.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.054 |
11 |
13 |
|
B |
9 |
2 |
12936 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
5 |
1 |
12904 |
60.7 |
0.6 |
0.732 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
[CU]C:3401 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
12898 |
35.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.079 |
15 |
|
[CU]B:2401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
12936 |
35.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.079 |
16 |
|
[CU]A:1403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
12904 |
35.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
35.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.079 |
13 |
17 |
|
[CU]C:3405 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
12898 |
33.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.080 |
18 |
|
[CU]A:1402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
12904 |
33.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.080 |
19 |
|
[CU]B:2405 |
1 |
1 |
125 |
cf |
B |
x,y,z |
1_555 |
9 |
6 |
12936 |
33.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
33.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.080 |
14 |
20 |
|
[CU]B:2402 |
1 |
1 |
125 |
cf |
A |
x,y,z |
1_555 |
11 |
5 |
12904 |
31.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.063 |
21 |
|
[CU]C:3402 |
1 |
1 |
125 |
cf |
B |
x,y,z |
1_555 |
10 |
4 |
12936 |
31.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.063 |
22 |
|
[CU]A:1404 |
1 |
1 |
125 |
cf |
C |
x,y,z |
1_555 |
12 |
5 |
12898 |
31.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
31.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.063 |
15 |
23 |
|
[CU]B:2402 |
1 |
1 |
125 |
c |
B |
x,y,z |
1_555 |
10 |
3 |
12936 |
31.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.072 |
24 |
|
[CU]C:3402 |
1 |
1 |
125 |
c |
C |
x,y,z |
1_555 |
10 |
3 |
12898 |
31.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.072 |
25 |
|
[CU]A:1404 |
1 |
1 |
125 |
c |
A |
x,y,z |
1_555 |
9 |
3 |
12904 |
30.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.072 |
26 |
|
[CU]C:3405 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
12904 |
29.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
30.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.072 |
16 |
27 |
|
[CU]B:2401 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
12904 |
30.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.051 |
28 |
|
[CU]A:1403 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
12898 |
30.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.051 |
29 |
|
[CU]C:3401 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
12936 |
30.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.051 |
Average: |
30.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.051 |
17 |
30 |
|
[OXY]B:2403 |
2 |
1 |
121 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
12936 |
30.4 |
0.8 |
0.926 |
1 |
0 |
0 |
0.000 |
18 |
31 |
|
[OXY]C:3403 |
2 |
1 |
120 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
12898 |
30.2 |
0.8 |
0.919 |
0 |
0 |
0 |
0.000 |
19 |
32 |
|
[CU]B:2405 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
12898 |
29.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.030 |
33 |
|
[CU]A:1402 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
12936 |
29.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
29.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.030 |
20 |
34 |
|
[OXY]A:1405 |
2 |
1 |
119 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12904 |
29.5 |
0.8 |
0.931 |
3 |
0 |
0 |
0.002 |
21 |
35 |
|
[OXY]B:2403 |
2 |
1 |
121 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
12904 |
28.9 |
0.8 |
0.928 |
2 |
0 |
0 |
0.000 |
22 |
36 |
|
[OXY]A:1405 |
2 |
1 |
119 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
12898 |
28.4 |
0.8 |
0.918 |
2 |
0 |
0 |
0.000 |
23 |
37 |
|
[OXY]C:3403 |
2 |
1 |
120 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
12936 |
28.2 |
0.7 |
0.915 |
2 |
0 |
0 |
0.000 |
24 |
38 |
|
[OXY]B:2403 |
2 |
1 |
121 |
f |
[CU]B:2401 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.017 |
39 |
|
[OXY]C:3403 |
2 |
1 |
120 |
f |
[CU]C:3401 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
18.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.017 |
25 |
40 |
|
[OXY]A:1405 |
2 |
1 |
119 |
f |
[CU]A:1403 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.009 |
26 |
41 |
|
[OXY]C:3403 |
2 |
1 |
120 |
◊ |
[CU]B:2405 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.016 |
42 |
|
[OXY]B:2403 |
2 |
1 |
121 |
◊ |
[CU]A:1402 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
16.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.016 |
27 |
43 |
|
[OXY]A:1405 |
2 |
1 |
119 |
◊ |
[CU]C:3405 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.008 |
28 |
44 |
|
[OXY]A:1405 |
1 |
1 |
119 |
◊ |
[CU]A:1404 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.019 |
45 |
|
[OXY]C:3403 |
1 |
1 |
120 |
◊ |
[CU]C:3402 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.019 |
46 |
|
[OXY]B:2403 |
1 |
1 |
121 |
◊ |
[CU]B:2402 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
14.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.019 |
29 |
47 |
|
[CU]C:3405 |
1 |
1 |
125 |
f |
[CU]A:1404 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.013 |
30 |
48 |
|
[CU]C:3402 |
1 |
1 |
125 |
f |
[CU]B:2405 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.013 |
31 |
49 |
|
[CU]B:2402 |
1 |
1 |
125 |
f |
[CU]A:1402 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.012 |
32 |
50 |
|
[CU]A:1404 |
1 |
1 |
125 |
◊ |
[CU]A:1403 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.011 |
33 |
51 |
|
[CU]C:3402 |
1 |
1 |
125 |
◊ |
[CU]C:3401 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.011 |
34 |
52 |
|
[CU]B:2402 |
1 |
1 |
125 |
◊ |
[CU]B:2401 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.011 |
35 |
53 |
|
[CU]C:3405 |
1 |
1 |
125 |
◊ |
[CU]A:1403 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
36 |
54 |
|
[CU]C:3401 |
1 |
1 |
125 |
◊ |
[CU]B:2405 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
37 |
55 |
|
[CU]B:2401 |
1 |
1 |
125 |
◊ |
[CU]A:1402 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
38 |
56 |
|
C |
1 |
1 |
12898 |
◊ |
[CL]A:1406 |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
125 |
5.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
57 |
|
C |
1 |
1 |
12898 |
x |
C |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
12898 |
0.4 |
0.0 |
0.663 |
0 |
0 |
0 |
0.000 |
|