## |
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 |
|
D |
118 |
30 |
11469 |
◊ |
C |
x,y,z |
1_555 |
112 |
29 |
11489 |
1252.2 |
-19.1 |
0.007 |
8 |
14 |
0 |
0.326 |
2 |
|
B |
111 |
28 |
11455 |
◊ |
A |
x,y,z |
1_555 |
112 |
29 |
11490 |
1185.0 |
-20.4 |
0.003 |
9 |
11 |
0 |
0.326 |
Average: |
1218.6 |
-19.8 |
0.005 |
9 |
13 |
0 |
0.326 |
2 |
3 |
|
C |
50 |
13 |
11489 |
◊ |
A |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
47 |
13 |
11490 |
439.6 |
-2.5 |
0.460 |
7 |
4 |
0 |
0.000 |
4 |
|
D |
51 |
13 |
11469 |
◊ |
B |
y-1,x,-z |
7_455 |
50 |
13 |
11455 |
434.0 |
-2.3 |
0.484 |
8 |
4 |
0 |
0.000 |
Average: |
436.8 |
-2.4 |
0.472 |
8 |
4 |
0 |
0.000 |
3 |
5 |
|
C |
50 |
16 |
11489 |
◊ |
B |
x,y,z |
1_555 |
37 |
10 |
11455 |
371.7 |
-0.7 |
0.625 |
1 |
0 |
0 |
0.007 |
4 |
6 |
|
[UDP]B:402 |
25 |
1 |
520 |
f |
B |
x,y,z |
1_555 |
51 |
15 |
11455 |
336.3 |
-5.4 |
0.683 |
12 |
0 |
0 |
0.243 |
7 |
|
[UDP]A:402 |
25 |
1 |
517 |
f |
A |
x,y,z |
1_555 |
50 |
15 |
11490 |
333.5 |
-5.1 |
0.698 |
8 |
0 |
0 |
0.243 |
8 |
|
[UDP]D:402 |
25 |
1 |
516 |
f |
D |
x,y,z |
1_555 |
52 |
16 |
11469 |
332.2 |
-5.5 |
0.707 |
14 |
0 |
0 |
0.243 |
Average: |
334.0 |
-5.3 |
0.696 |
11 |
0 |
0 |
0.243 |
5 |
9 |
|
[UDP]C:402 |
25 |
1 |
521 |
f |
C |
x,y,z |
1_555 |
51 |
16 |
11489 |
332.0 |
-4.9 |
0.721 |
13 |
0 |
0 |
0.128 |
6 |
10 |
|
[DCM]A:403 |
20 |
1 |
445 |
f |
A |
x,y,z |
1_555 |
52 |
22 |
11490 |
302.8 |
-0.0 |
0.660 |
7 |
0 |
0 |
0.093 |
11 |
|
[DCM]B:403 |
20 |
1 |
439 |
f |
B |
x,y,z |
1_555 |
49 |
22 |
11455 |
301.9 |
-0.0 |
0.662 |
7 |
0 |
0 |
0.093 |
12 |
|
[DCM]D:403 |
20 |
1 |
440 |
f |
D |
x,y,z |
1_555 |
50 |
22 |
11469 |
301.3 |
0.0 |
0.650 |
8 |
0 |
0 |
0.093 |
13 |
|
[DCM]C:403 |
20 |
1 |
437 |
f |
C |
x,y,z |
1_555 |
50 |
22 |
11489 |
298.7 |
-0.2 |
0.664 |
9 |
0 |
0 |
0.093 |
Average: |
301.2 |
-0.1 |
0.659 |
8 |
0 |
0 |
0.093 |
7 |
14 |
|
D |
25 |
6 |
11469 |
◊ |
A |
x-1,y-1,z |
1_445 |
28 |
8 |
11490 |
228.6 |
-1.9 |
0.329 |
2 |
1 |
0 |
0.000 |
8 |
15 |
|
D |
19 |
7 |
11469 |
◊ |
C |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
25 |
10 |
11489 |
208.5 |
1.1 |
0.752 |
1 |
1 |
0 |
0.000 |
9 |
16 |
|
A |
9 |
3 |
11490 |
◊ |
A |
y,x,-z |
7_555 |
9 |
3 |
11490 |
82.2 |
1.1 |
0.820 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
[MG]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
11455 |
54.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.135 |
18 |
|
[MG]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
11469 |
54.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.135 |
19 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
11490 |
54.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.135 |
20 |
|
[MG]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
11489 |
53.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.135 |
Average: |
54.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.135 |
11 |
21 |
|
[UDP]C:402 |
5 |
1 |
521 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
11455 |
51.6 |
0.4 |
0.794 |
1 |
0 |
0 |
0.000 |
12 |
22 |
|
[DCM]C:403 |
4 |
1 |
437 |
f |
[UDP]C:402 |
x,y,z |
1_555 |
4 |
1 |
521 |
34.6 |
-3.1 |
0.311 |
0 |
0 |
0 |
0.072 |
23 |
|
[DCM]A:403 |
4 |
1 |
445 |
f |
[UDP]A:402 |
x,y,z |
1_555 |
4 |
1 |
517 |
32.3 |
-2.9 |
0.328 |
0 |
0 |
0 |
0.072 |
24 |
|
[DCM]D:403 |
4 |
1 |
440 |
f |
[UDP]D:402 |
x,y,z |
1_555 |
4 |
1 |
516 |
31.8 |
-2.9 |
0.333 |
0 |
0 |
0 |
0.072 |
25 |
|
[DCM]B:403 |
4 |
1 |
439 |
f |
[UDP]B:402 |
x,y,z |
1_555 |
4 |
1 |
520 |
31.3 |
-2.8 |
0.334 |
0 |
0 |
0 |
0.072 |
Average: |
32.5 |
-2.9 |
0.327 |
0 |
0 |
0 |
0.072 |
13 |
26 |
|
[UDP]B:402 |
2 |
1 |
520 |
f |
[MG]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.094 |
27 |
|
[UDP]C:402 |
2 |
1 |
521 |
f |
[MG]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.094 |
28 |
|
[UDP]D:402 |
3 |
1 |
516 |
f |
[MG]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.094 |
29 |
|
[UDP]A:402 |
4 |
1 |
517 |
f |
[MG]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.094 |
Average: |
25.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.094 |
14 |
30 |
|
[DCM]A:403 |
1 |
1 |
445 |
f |
[MG]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.051 |
31 |
|
[DCM]D:403 |
1 |
1 |
440 |
f |
[MG]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.051 |
32 |
|
[DCM]C:403 |
1 |
1 |
437 |
f |
[MG]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.051 |
33 |
|
[DCM]B:403 |
1 |
1 |
439 |
f |
[MG]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.051 |
Average: |
13.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.051 |
15 |
34 |
|
B |
2 |
1 |
11455 |
◊ |
A |
y,x,-z |
7_555 |
1 |
1 |
11490 |
6.5 |
0.2 |
0.767 |
0 |
0 |
0 |
0.000 |
|