| ## |
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 |
67 |
21 |
14704 |
x |
A |
x,y,z |
1_555 |
71 |
18 |
14646 |
700.2 |
-7.6 |
0.174 |
5 |
0 |
0 |
0.186 |
2 |
|
D |
66 |
20 |
14663 |
x |
D |
-y,x-y,z |
2_555 |
67 |
18 |
14663 |
673.2 |
-8.8 |
0.143 |
5 |
0 |
0 |
0.186 |
3 |
|
B |
67 |
17 |
14756 |
x |
A |
x,y,z |
1_555 |
62 |
20 |
14646 |
666.2 |
-9.4 |
0.083 |
6 |
0 |
0 |
0.186 |
4 |
|
C |
71 |
18 |
14704 |
x |
B |
x,y,z |
1_555 |
63 |
21 |
14756 |
655.3 |
-8.1 |
0.149 |
6 |
0 |
0 |
0.186 |
| Average: |
673.7 |
-8.5 |
0.137 |
6 |
0 |
0 |
0.186 |
| 2 |
5 |
|
C |
50 |
13 |
14704 |
◊ |
B |
-y+1,x-y,z |
2_655 |
46 |
13 |
14756 |
479.6 |
-10.1 |
0.050 |
4 |
0 |
0 |
0.084 |
6 |
|
A |
42 |
12 |
14646 |
◊ |
D |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
38 |
10 |
14663 |
401.3 |
-7.5 |
0.096 |
7 |
0 |
0 |
0.084 |
| Average: |
440.5 |
-8.8 |
0.073 |
6 |
0 |
0 |
0.084 |
| 3 |
7 |
|
D |
56 |
18 |
14663 |
◊ |
B |
x,y,z |
1_555 |
39 |
14 |
14756 |
448.6 |
-3.5 |
0.366 |
4 |
1 |
0 |
0.000 |
| 4 |
8 |
|
[5MF]A:803 |
25 |
1 |
590 |
f |
A |
x,y,z |
1_555 |
66 |
22 |
14646 |
430.4 |
1.9 |
0.369 |
1 |
0 |
0 |
0.000 |
9 |
|
[5MF]D:803 |
25 |
1 |
593 |
f |
D |
x,y,z |
1_555 |
63 |
22 |
14663 |
427.7 |
1.2 |
0.280 |
1 |
0 |
0 |
0.000 |
10 |
|
[5MF]C:803 |
25 |
1 |
599 |
f |
C |
x,y,z |
1_555 |
62 |
23 |
14704 |
425.2 |
1.3 |
0.288 |
1 |
0 |
0 |
0.000 |
11 |
|
[5MF]B:803 |
25 |
1 |
591 |
f |
B |
x,y,z |
1_555 |
64 |
24 |
14756 |
423.2 |
1.3 |
0.282 |
1 |
0 |
0 |
0.000 |
| Average: |
426.6 |
1.4 |
0.305 |
1 |
0 |
0 |
0.000 |
| 5 |
12 |
|
B |
43 |
13 |
14756 |
◊ |
A |
-y,x-y-1,z |
2_545 |
44 |
15 |
14646 |
390.4 |
-1.1 |
0.672 |
3 |
4 |
0 |
0.000 |
| 6 |
13 |
|
A |
32 |
12 |
14646 |
◊ |
C |
-y+2/3,x-y-2/3,z+1/3 |
5_545 |
31 |
8 |
14704 |
323.1 |
-0.6 |
0.580 |
1 |
0 |
0 |
0.000 |
| 7 |
14 |
|
A |
22 |
8 |
14646 |
x |
B |
-y+1,x-y,z |
2_655 |
23 |
9 |
14756 |
221.1 |
-1.5 |
0.510 |
2 |
0 |
0 |
0.035 |
15 |
|
B |
22 |
9 |
14756 |
x |
D |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
24 |
9 |
14663 |
217.3 |
-0.9 |
0.595 |
3 |
0 |
0 |
0.035 |
16 |
|
A |
26 |
9 |
14646 |
x |
D |
x+2/3,y+1/3,z+1/3 |
4_555 |
17 |
8 |
14663 |
184.2 |
-1.6 |
0.499 |
3 |
0 |
0 |
0.035 |
17 |
|
C |
18 |
7 |
14704 |
x |
C |
-y+1,x-y,z |
2_655 |
21 |
8 |
14704 |
180.9 |
-1.4 |
0.496 |
1 |
0 |
0 |
0.035 |
| Average: |
200.9 |
-1.3 |
0.525 |
2 |
0 |
0 |
0.035 |
| 8 |
18 |
|
[MG]D:802 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
14663 |
59.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.148 |
19 |
|
[MG]B:802 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
14756 |
59.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.148 |
20 |
|
[MG]C:802 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
14704 |
59.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.148 |
21 |
|
[MG]A:802 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
14646 |
58.2 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.148 |
| Average: |
59.2 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.148 |
| 9 |
22 |
|
D |
6 |
4 |
14663 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
14704 |
48.8 |
-0.1 |
0.613 |
0 |
0 |
0 |
0.000 |
| 10 |
23 |
|
[ZN]D:801 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
14663 |
45.8 |
-33.4 |
0.000 |
0 |
0 |
0 |
0.565 |
24 |
|
[ZN]C:801 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
14704 |
45.1 |
-33.6 |
0.000 |
0 |
0 |
0 |
0.565 |
25 |
|
[ZN]B:801 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
14756 |
45.0 |
-33.4 |
0.000 |
0 |
0 |
0 |
0.565 |
26 |
|
[ZN]A:801 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
14646 |
44.7 |
-33.3 |
0.000 |
0 |
0 |
0 |
0.565 |
| Average: |
45.1 |
-33.4 |
0.000 |
0 |
0 |
0 |
0.565 |
| 11 |
27 |
|
C |
6 |
2 |
14704 |
◊ |
D |
-y+1,x-y,z |
2_655 |
4 |
2 |
14663 |
28.7 |
0.9 |
0.821 |
0 |
0 |
0 |
0.000 |
| 12 |
28 |
|
[MG]A:802 |
1 |
1 |
98 |
f |
[ZN]A:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.041 |
| 13 |
29 |
|
[MG]D:802 |
1 |
1 |
98 |
f |
[ZN]D:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.4 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.119 |
| 14 |
30 |
|
[MG]B:802 |
1 |
1 |
98 |
f |
[ZN]B:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.3 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.040 |
| 15 |
31 |
|
[MG]C:802 |
1 |
1 |
98 |
f |
[ZN]C:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.039 |
|