| ## |
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 |
|
C |
174 |
45 |
12827 |
◊ |
B |
x,y,z |
1_555 |
167 |
49 |
12919 |
1530.0 |
-15.6 |
0.119 |
21 |
15 |
0 |
0.377 |
2 |
|
B |
173 |
44 |
12919 |
◊ |
A |
x,y,z |
1_555 |
163 |
49 |
12879 |
1524.7 |
-14.6 |
0.135 |
21 |
20 |
0 |
0.377 |
3 |
|
C |
164 |
48 |
12827 |
◊ |
A |
x,y,z |
1_555 |
172 |
45 |
12879 |
1504.3 |
-16.9 |
0.067 |
17 |
13 |
0 |
0.377 |
| Average: |
1519.7 |
-15.7 |
0.107 |
20 |
16 |
0 |
0.377 |
| 2 |
4 |
|
B |
31 |
12 |
12919 |
x |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
25 |
7 |
12919 |
250.9 |
-0.4 |
0.633 |
3 |
0 |
0 |
0.000 |
| 3 |
5 |
|
C |
22 |
7 |
12827 |
◊ |
A |
x-1,y,z |
1_455 |
26 |
7 |
12879 |
230.3 |
-1.1 |
0.536 |
3 |
1 |
0 |
0.000 |
| 4 |
6 |
|
B |
22 |
6 |
12919 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
30 |
10 |
12827 |
217.6 |
2.5 |
0.904 |
3 |
4 |
0 |
0.000 |
| 5 |
7 |
|
C |
19 |
6 |
12827 |
◊ |
B |
-x+3/2,-y+2,z-1/2 |
2_674 |
17 |
6 |
12919 |
160.0 |
0.0 |
0.602 |
2 |
2 |
0 |
0.000 |
| 6 |
8 |
|
C |
17 |
8 |
12827 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
20 |
7 |
12879 |
152.6 |
0.3 |
0.667 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
B |
9 |
3 |
12919 |
◊ |
A |
x-1,y,z |
1_455 |
21 |
7 |
12879 |
110.8 |
1.9 |
0.809 |
2 |
3 |
0 |
0.000 |
| 8 |
10 |
|
C |
10 |
3 |
12827 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
13 |
5 |
12919 |
104.2 |
1.3 |
0.808 |
2 |
1 |
0 |
0.000 |
| 9 |
11 |
|
A |
11 |
5 |
12879 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
12 |
5 |
12879 |
95.5 |
1.6 |
0.869 |
1 |
2 |
0 |
0.000 |
| 10 |
12 |
|
[CL]A:1407 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
12879 |
70.6 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.052 |
| 11 |
13 |
|
B |
9 |
2 |
12919 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
5 |
1 |
12879 |
60.2 |
0.7 |
0.747 |
1 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[CU]C:3401 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
12827 |
31.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.064 |
15 |
|
[CU]B:2401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
12919 |
31.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.064 |
16 |
|
[CU]A:1404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
12879 |
30.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
31.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.064 |
| 13 |
17 |
|
[CU]C:3405 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
12827 |
30.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.070 |
18 |
|
[CU]A:1402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
12879 |
29.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.070 |
19 |
|
[CU]B:2405 |
1 |
1 |
125 |
cf |
B |
x,y,z |
1_555 |
9 |
6 |
12919 |
29.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.070 |
| Average: |
29.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.070 |
| 14 |
20 |
|
[CU]A:1405 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
12827 |
29.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.107 |
21 |
|
[CU]B:2402 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
12879 |
29.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.107 |
22 |
|
[CU]C:3402 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
12919 |
29.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.107 |
23 |
|
[CU]C:3401 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
12919 |
28.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.107 |
24 |
|
[CU]B:2401 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
12879 |
28.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.107 |
25 |
|
[CU]A:1404 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
12827 |
28.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.107 |
| Average: |
28.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.107 |
| 15 |
26 |
|
[CU]C:3402 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
12827 |
29.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.090 |
27 |
|
[CU]A:1405 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
12879 |
28.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.090 |
28 |
|
[CU]B:2402 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
12919 |
28.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.090 |
29 |
|
[CU]A:1402 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
12919 |
27.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.090 |
30 |
|
[CU]C:3405 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
12879 |
27.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.090 |
31 |
|
[CU]B:2405 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
12827 |
27.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.090 |
| Average: |
28.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.090 |
| 16 |
32 |
|
[OH]C:3403 |
1 |
1 |
99 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
12827 |
23.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.017 |
33 |
|
[OH]B:2403 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
12919 |
22.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.017 |
34 |
|
[OH]A:1406 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12879 |
22.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
22.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.017 |
| 17 |
35 |
|
[OH]A:1406 |
1 |
1 |
99 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
12827 |
21.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.016 |
36 |
|
[OH]C:3403 |
1 |
1 |
99 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
12919 |
20.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.016 |
37 |
|
[OH]B:2403 |
1 |
1 |
99 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
12879 |
20.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
20.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.016 |
| 18 |
38 |
|
[O]B:2406 |
1 |
1 |
99 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
12827 |
21.0 |
0.6 |
0.924 |
0 |
0 |
0 |
0.000 |
39 |
|
[O]A:1403 |
1 |
1 |
99 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
12919 |
20.6 |
0.6 |
0.933 |
0 |
0 |
0 |
0.000 |
40 |
|
[O]C:3406 |
1 |
1 |
99 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
12879 |
20.3 |
0.6 |
0.924 |
0 |
0 |
0 |
0.000 |
| Average: |
20.6 |
0.6 |
0.927 |
0 |
0 |
0 |
0.000 |
| 19 |
41 |
|
[O]C:3406 |
1 |
1 |
99 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
12827 |
19.6 |
0.5 |
0.901 |
0 |
0 |
0 |
0.000 |
42 |
|
[O]B:2406 |
1 |
1 |
99 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
12919 |
19.5 |
0.5 |
0.903 |
0 |
0 |
0 |
0.000 |
43 |
|
[O]A:1403 |
1 |
1 |
99 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
12879 |
19.4 |
0.5 |
0.911 |
0 |
0 |
0 |
0.000 |
| Average: |
19.5 |
0.5 |
0.905 |
0 |
0 |
0 |
0.000 |
| 20 |
44 |
|
[OH]B:2403 |
1 |
1 |
99 |
f |
[CU]B:2401 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.017 |
| 21 |
45 |
|
[OH]A:1406 |
1 |
1 |
99 |
f |
[CU]A:1404 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.010 |
| 22 |
46 |
|
[OH]C:3403 |
1 |
1 |
99 |
f |
[CU]C:3401 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.016 |
| 23 |
47 |
|
[O]B:2406 |
1 |
1 |
99 |
f |
[CU]C:3402 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.100 |
| 24 |
48 |
|
[O]A:1403 |
1 |
1 |
99 |
f |
[CU]B:2402 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.100 |
| 25 |
49 |
|
[O]C:3406 |
1 |
1 |
99 |
f |
[CU]A:1405 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.100 |
| 26 |
50 |
|
[OH]A:1406 |
1 |
1 |
99 |
◊ |
[CU]C:3405 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.009 |
| 27 |
51 |
|
[O]B:2406 |
1 |
1 |
99 |
◊ |
[CU]B:2405 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.006 |
| 28 |
52 |
|
[O]C:3406 |
1 |
1 |
99 |
◊ |
[CU]A:1404 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.006 |
| 29 |
53 |
|
[O]A:1403 |
1 |
1 |
99 |
◊ |
[CU]B:2401 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.006 |
| 30 |
54 |
|
[O]B:2406 |
1 |
1 |
99 |
◊ |
[CU]C:3401 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.006 |
| 31 |
55 |
|
[OH]C:3403 |
1 |
1 |
99 |
◊ |
[CU]B:2405 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.009 |
| 32 |
56 |
|
[OH]B:2403 |
1 |
1 |
99 |
◊ |
[CU]A:1402 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.009 |
| 33 |
57 |
|
[O]C:3406 |
1 |
1 |
99 |
◊ |
[CU]C:3405 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.006 |
| 34 |
58 |
|
[O]A:1403 |
1 |
1 |
99 |
◊ |
[CU]A:1402 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.006 |
| 35 |
59 |
|
[CU]A:1405 |
1 |
1 |
125 |
◊ |
[CU]A:1404 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| 36 |
60 |
|
[CU]C:3402 |
1 |
1 |
125 |
◊ |
[CU]C:3401 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.011 |
| 37 |
61 |
|
[CU]C:3405 |
1 |
1 |
125 |
◊ |
[CU]A:1405 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.011 |
| 38 |
62 |
|
[CU]C:3402 |
1 |
1 |
125 |
◊ |
[CU]B:2405 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.011 |
| 39 |
63 |
|
[CU]B:2402 |
1 |
1 |
125 |
◊ |
[CU]A:1402 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.011 |
| 40 |
64 |
|
[CU]B:2402 |
1 |
1 |
125 |
◊ |
[CU]B:2401 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.011 |
| 41 |
65 |
|
[OH]C:3403 |
1 |
1 |
99 |
◊ |
[O]B:2406 |
x,y,z |
1_555 |
1 |
1 |
99 |
11.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 42 |
66 |
|
[OH]B:2403 |
1 |
1 |
99 |
◊ |
[O]A:1403 |
x,y,z |
1_555 |
1 |
1 |
99 |
11.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 43 |
67 |
|
[OH]A:1406 |
1 |
1 |
99 |
◊ |
[O]C:3406 |
x,y,z |
1_555 |
1 |
1 |
99 |
10.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 44 |
68 |
|
[CU]C:3405 |
1 |
1 |
125 |
◊ |
[CU]A:1404 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.008 |
| 45 |
69 |
|
[CU]C:3401 |
1 |
1 |
125 |
◊ |
[CU]B:2405 |
x,y,z |
1_555 |
1 |
1 |
125 |
8.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.008 |
| 46 |
70 |
|
[CU]B:2401 |
1 |
1 |
125 |
◊ |
[CU]A:1402 |
x,y,z |
1_555 |
1 |
1 |
125 |
8.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.008 |
| 47 |
71 |
|
[OH]C:3403 |
1 |
1 |
99 |
◊ |
[CU]C:3402 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.005 |
| 48 |
72 |
|
[OH]A:1406 |
1 |
1 |
99 |
◊ |
[CU]A:1405 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.005 |
| 49 |
73 |
|
[OH]B:2403 |
1 |
1 |
99 |
◊ |
[CU]B:2402 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.005 |
| 50 |
74 |
|
C |
1 |
1 |
12827 |
◊ |
[CL]A:1407 |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
125 |
5.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
|