| ## |
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 |
100 |
24 |
6086 |
◊ |
A |
x,y,z |
1_555 |
100 |
29 |
6497 |
970.5 |
-7.2 |
0.268 |
11 |
7 |
0 |
0.550 |
2 |
|
C |
93 |
25 |
5891 |
◊ |
B |
x,y,z |
1_555 |
80 |
24 |
6086 |
874.8 |
-3.3 |
0.461 |
13 |
9 |
0 |
0.550 |
3 |
|
C |
80 |
27 |
5891 |
◊ |
A |
x,y,z |
1_555 |
94 |
23 |
6497 |
871.8 |
-6.4 |
0.244 |
12 |
6 |
0 |
0.550 |
| Average: |
905.7 |
-5.7 |
0.324 |
12 |
7 |
0 |
0.550 |
| 2 |
4 |
|
A |
61 |
13 |
6497 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
8_456 |
55 |
15 |
6086 |
563.2 |
-5.4 |
0.279 |
4 |
1 |
0 |
0.000 |
| 3 |
5 |
|
A |
45 |
14 |
6497 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
45 |
14 |
6497 |
458.7 |
-5.5 |
0.210 |
4 |
0 |
0 |
0.211 |
6 |
|
C |
48 |
14 |
5891 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
46 |
14 |
6086 |
446.4 |
-4.0 |
0.325 |
4 |
0 |
0 |
0.211 |
| Average: |
452.5 |
-4.7 |
0.268 |
4 |
0 |
0 |
0.211 |
| 4 |
7 |
|
C |
34 |
10 |
5891 |
◊ |
C |
x,-y+1,-z+1 |
4_566 |
34 |
10 |
5891 |
356.9 |
0.9 |
0.745 |
0 |
0 |
0 |
0.000 |
| 5 |
8 |
|
B |
20 |
6 |
6086 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
20 |
6 |
6086 |
133.4 |
-2.2 |
0.248 |
0 |
0 |
0 |
0.032 |
9 |
|
C |
19 |
5 |
5891 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
18 |
5 |
6497 |
112.6 |
-1.9 |
0.258 |
0 |
0 |
0 |
0.032 |
| Average: |
123.0 |
-2.1 |
0.253 |
0 |
0 |
0 |
0.032 |
| 6 |
10 |
|
[ACT]B:304 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
6086 |
105.7 |
-0.4 |
0.595 |
2 |
0 |
0 |
0.043 |
| 7 |
11 |
|
[ACT]A:303 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
6497 |
105.4 |
-0.5 |
0.654 |
3 |
0 |
0 |
0.107 |
| 8 |
12 |
|
[ACT]C:301 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
5891 |
103.9 |
-1.3 |
0.528 |
0 |
0 |
0 |
0.042 |
| 9 |
13 |
|
[ACT]A:302 |
4 |
1 |
184 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
13 |
5 |
5891 |
68.4 |
-0.4 |
0.604 |
0 |
0 |
0 |
0.004 |
| 10 |
14 |
|
[ACT]A:302 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
6497 |
66.4 |
-0.7 |
0.529 |
0 |
0 |
0 |
0.040 |
| 11 |
15 |
|
[CL]A:201 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
6497 |
45.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.376 |
16 |
|
[CL]C:203 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
5891 |
45.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.376 |
17 |
|
[CL]B:202 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
6086 |
44.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.376 |
| Average: |
45.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.376 |
| 12 |
18 |
|
[ACT]B:304 |
3 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
5891 |
44.3 |
-1.1 |
0.333 |
0 |
0 |
0 |
0.017 |
| 13 |
19 |
|
[CL]C:203 |
1 |
1 |
125 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
6 |
3 |
6086 |
43.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.345 |
20 |
|
[CL]B:202 |
1 |
1 |
125 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
7 |
3 |
5891 |
42.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.345 |
21 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
6 |
3 |
6497 |
42.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.345 |
| Average: |
42.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.345 |
| 14 |
22 |
|
[ACT]A:303 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6086 |
40.0 |
-1.0 |
0.276 |
0 |
0 |
0 |
0.015 |
| 15 |
23 |
|
[ACT]C:301 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
6497 |
37.5 |
-0.2 |
0.508 |
0 |
0 |
0 |
0.003 |
| 16 |
24 |
|
[CL]B:202 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6497 |
15.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.080 |
25 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
5891 |
15.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.080 |
26 |
|
[CL]C:203 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6086 |
15.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.080 |
| Average: |
15.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.080 |
| 17 |
27 |
|
[ACT]A:302 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6086 |
13.6 |
-0.2 |
0.325 |
0 |
0 |
0 |
0.003 |
| 18 |
28 |
|
[ACT]A:302 |
1 |
1 |
184 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
6497 |
6.6 |
-0.2 |
0.380 |
0 |
0 |
0 |
0.012 |
|