| ## |
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 |
98 |
26 |
13663 |
◊ |
A |
x,y,z |
1_555 |
101 |
27 |
13402 |
938.4 |
-8.4 |
0.470 |
11 |
0 |
0 |
0.147 |
| 2 |
2 |
|
B |
62 |
17 |
13663 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
59 |
17 |
13402 |
542.6 |
0.2 |
0.875 |
8 |
5 |
0 |
0.000 |
3 |
|
B |
51 |
16 |
13663 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
56 |
16 |
13402 |
487.6 |
-1.4 |
0.772 |
8 |
4 |
0 |
0.000 |
| Average: |
515.1 |
-0.6 |
0.823 |
8 |
5 |
0 |
0.000 |
| 3 |
4 |
|
[ADP]A:901 |
25 |
1 |
541 |
f |
A |
x,y,z |
1_555 |
43 |
18 |
13402 |
329.3 |
-3.5 |
0.619 |
2 |
0 |
0 |
0.097 |
5 |
|
[ADP]B:901 |
24 |
1 |
541 |
f |
B |
x,y,z |
1_555 |
40 |
16 |
13663 |
325.2 |
-3.0 |
0.636 |
3 |
0 |
0 |
0.097 |
| Average: |
327.3 |
-3.3 |
0.627 |
3 |
0 |
0 |
0.097 |
| 4 |
6 |
|
B |
24 |
7 |
13663 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
22 |
10 |
13402 |
221.0 |
-3.0 |
0.386 |
3 |
1 |
0 |
0.000 |
| 5 |
7 |
|
B |
16 |
8 |
13663 |
x |
B |
x-1,y,z |
1_455 |
19 |
8 |
13663 |
152.9 |
0.6 |
0.699 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[GOL]A:3 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
13402 |
100.5 |
-0.8 |
0.512 |
2 |
0 |
0 |
0.019 |
| 7 |
9 |
|
[CL]B:7 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
13663 |
70.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.236 |
10 |
|
[CL]A:5 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
13402 |
68.1 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.236 |
| Average: |
69.4 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.236 |
| 8 |
11 |
|
B |
8 |
3 |
13663 |
◊ |
A |
x,y-1,z |
1_545 |
9 |
3 |
13402 |
69.2 |
0.3 |
0.746 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[CL]B:8 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
13663 |
66.6 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.114 |
| 10 |
13 |
|
[CL]B:6 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
13663 |
60.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.092 |
| 11 |
14 |
|
A |
7 |
3 |
13402 |
x |
A |
-x,y-1/2,-z |
2_545 |
8 |
3 |
13402 |
60.5 |
-0.7 |
0.504 |
0 |
0 |
0 |
0.000 |
15 |
|
B |
6 |
3 |
13663 |
x |
B |
-x,y-1/2,-z-1 |
2_544 |
7 |
3 |
13663 |
57.6 |
0.3 |
0.662 |
1 |
0 |
0 |
0.000 |
| Average: |
59.1 |
-0.2 |
0.583 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[CL]A:4 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
13402 |
49.0 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.120 |
17 |
|
[CL]A:4 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
13663 |
48.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.120 |
| Average: |
48.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.120 |
| 13 |
18 |
|
[GOL]A:3 |
3 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
13663 |
42.4 |
-0.0 |
0.436 |
0 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[MG]A:10 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13402 |
39.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.110 |
20 |
|
[MG]B:9 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
13663 |
37.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.110 |
| Average: |
38.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.110 |
| 15 |
21 |
|
[MG]B:9 |
1 |
1 |
98 |
f |
[ADP]B:901 |
x,y,z |
1_555 |
5 |
1 |
541 |
37.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.130 |
22 |
|
[MG]A:10 |
1 |
1 |
98 |
f |
[ADP]A:901 |
x,y,z |
1_555 |
5 |
1 |
541 |
36.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.130 |
| Average: |
37.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.130 |
| 16 |
23 |
|
[CL]A:5 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13663 |
21.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.055 |
24 |
|
[CL]B:7 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13402 |
21.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.055 |
| Average: |
21.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.055 |
| 17 |
25 |
|
[CL]B:6 |
1 |
1 |
125 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
13402 |
7.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[GOL]A:3 |
1 |
1 |
221 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
3 |
1 |
13402 |
4.0 |
0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
|