## |
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 |
49 |
16 |
3622 |
◊ |
A |
x,y,z |
1_555 |
48 |
15 |
3615 |
423.6 |
-3.9 |
0.354 |
4 |
0 |
0 |
0.057 |
2 |
2 |
|
B |
26 |
8 |
3622 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
23 |
7 |
3615 |
237.9 |
-0.8 |
0.638 |
3 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
26 |
9 |
3622 |
◊ |
A |
x,y-1,z |
1_545 |
25 |
8 |
3615 |
221.7 |
2.8 |
0.937 |
8 |
2 |
0 |
0.000 |
4 |
4 |
|
A |
24 |
9 |
3615 |
◊ |
A |
-x,y,-z |
2_555 |
24 |
9 |
3615 |
214.8 |
-0.4 |
0.675 |
4 |
0 |
0 |
0.017 |
5 |
|
B |
24 |
9 |
3622 |
◊ |
B |
-x,y,-z |
2_555 |
24 |
9 |
3622 |
214.2 |
-0.3 |
0.699 |
2 |
0 |
0 |
0.017 |
Average: |
214.5 |
-0.3 |
0.687 |
3 |
0 |
0 |
0.017 |
5 |
6 |
|
A |
19 |
8 |
3615 |
◊ |
A |
-x,y,-z+1 |
2_556 |
19 |
8 |
3615 |
166.2 |
-0.4 |
0.683 |
2 |
0 |
0 |
0.047 |
6 |
7 |
|
A |
6 |
2 |
3615 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
5 |
2 |
3622 |
65.8 |
0.1 |
0.669 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[NA]A:1105 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
9 |
4 |
3615 |
57.0 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.582 |
8 |
9 |
|
[CL]A:1103 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
3615 |
35.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.092 |
10 |
|
[CL]A:1103 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
3622 |
34.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
35.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.092 |
9 |
11 |
|
[CL]A:1104 |
1 |
1 |
125 |
f |
[CL]A:1104 |
-x,y,-z |
2_555 |
1 |
1 |
125 |
34.3 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.035 |
10 |
12 |
|
[CU]A:2102 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
3622 |
27.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.079 |
13 |
|
[CU]A:2102 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
3615 |
27.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
27.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.079 |
11 |
14 |
|
[CU]B:1102 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
3622 |
27.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.371 |
15 |
|
[CU]A:2101 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
3615 |
26.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.371 |
Average: |
26.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.371 |
12 |
16 |
|
[CU]B:1101 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
3622 |
24.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.098 |
17 |
|
[CU]B:1101 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
3615 |
24.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.098 |
18 |
|
[CU]A:2101 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
3622 |
22.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.098 |
Average: |
23.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.098 |
13 |
19 |
|
[CL]A:1104 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
4 |
2 |
3622 |
22.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.119 |
20 |
|
[CL]A:1104 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
4 |
2 |
3615 |
21.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.119 |
Average: |
21.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.119 |
14 |
21 |
|
[CU]B:1102 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
3615 |
22.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.029 |
15 |
22 |
|
[CU]A:2102 |
1 |
1 |
125 |
f |
[CL]A:1103 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.039 |
16 |
23 |
|
[CU]B:1101 |
1 |
1 |
125 |
fx |
[CL]A:1104 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.077 |
17 |
24 |
|
[CU]B:1102 |
1 |
1 |
125 |
◊ |
[CU]B:1101 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.030 |
18 |
25 |
|
[CU]B:1101 |
1 |
1 |
125 |
◊ |
[CU]A:2101 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.030 |
19 |
26 |
|
[CU]A:2102 |
1 |
1 |
125 |
◊ |
[CU]A:2101 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.029 |
20 |
27 |
|
[CU]B:1102 |
1 |
1 |
125 |
◊ |
[CU]A:2102 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.028 |
21 |
28 |
|
[CU]B:1102 |
1 |
1 |
125 |
◊ |
[CU]A:2101 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.027 |
22 |
29 |
|
[CU]A:2101 |
1 |
1 |
125 |
x |
[CL]A:1104 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.029 |
23 |
30 |
|
[CU]B:1102 |
1 |
1 |
125 |
x |
[CL]A:1104 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.029 |
24 |
31 |
|
[CU]B:1101 |
1 |
1 |
125 |
f |
[CU]A:2102 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.013 |
25 |
32 |
|
[CU]B:1101 |
1 |
1 |
125 |
f |
[CU]B:1101 |
-x,y,-z |
2_555 |
1 |
1 |
125 |
6.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.006 |
26 |
33 |
|
[CU]B:1101 |
1 |
1 |
125 |
◊ |
B |
-x,y,-z |
2_555 |
2 |
1 |
3622 |
5.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
34 |
|
[CU]B:1101 |
1 |
1 |
125 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
1 |
3615 |
5.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
5.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
27 |
35 |
|
[CU]A:2101 |
1 |
1 |
125 |
◊ |
[CL]A:1103 |
x,y,z |
1_555 |
1 |
1 |
125 |
5.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.011 |
28 |
36 |
|
[CU]B:1102 |
1 |
1 |
125 |
◊ |
[CL]A:1103 |
x,y,z |
1_555 |
1 |
1 |
125 |
5.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.011 |
29 |
37 |
|
B |
2 |
1 |
3622 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
1 |
3615 |
1.1 |
-0.1 |
0.488 |
0 |
0 |
0 |
0.000 |
|