## |
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 |
97 |
20 |
21127 |
◊ |
A |
x-1,y,z-1 |
1_454 |
90 |
19 |
21097 |
877.1 |
-13.8 |
0.050 |
13 |
0 |
0 |
0.170 |
2 |
2 |
|
B |
87 |
18 |
21127 |
◊ |
A |
x,y-1,z |
1_545 |
85 |
26 |
21097 |
865.8 |
-6.2 |
0.272 |
7 |
5 |
0 |
0.000 |
3 |
|
B |
92 |
29 |
21127 |
◊ |
A |
x,y,z |
1_555 |
95 |
23 |
21097 |
826.8 |
-6.2 |
0.342 |
3 |
4 |
0 |
0.000 |
Average: |
846.3 |
-6.2 |
0.307 |
5 |
5 |
0 |
0.000 |
3 |
4 |
|
B |
84 |
25 |
21127 |
◊ |
A |
x-1,y,z |
1_455 |
71 |
23 |
21097 |
748.1 |
1.3 |
0.803 |
13 |
4 |
0 |
0.000 |
4 |
5 |
|
[5MY]B:501 |
28 |
1 |
579 |
f |
B |
x,y,z |
1_555 |
48 |
20 |
21127 |
399.0 |
-7.3 |
0.788 |
17 |
0 |
0 |
0.257 |
6 |
|
[5MY]A:501 |
29 |
1 |
572 |
f |
A |
x,y,z |
1_555 |
47 |
19 |
21097 |
392.8 |
-6.8 |
0.849 |
18 |
0 |
0 |
0.257 |
Average: |
395.9 |
-7.0 |
0.819 |
18 |
0 |
0 |
0.257 |
5 |
7 |
|
[ADP]B:502 |
27 |
1 |
544 |
f |
B |
x,y,z |
1_555 |
55 |
24 |
21127 |
374.8 |
-4.7 |
0.598 |
9 |
0 |
0 |
0.159 |
8 |
|
[ADP]A:502 |
27 |
1 |
538 |
f |
A |
x,y,z |
1_555 |
54 |
24 |
21097 |
367.8 |
-5.1 |
0.583 |
10 |
0 |
0 |
0.159 |
Average: |
371.3 |
-4.9 |
0.590 |
10 |
0 |
0 |
0.159 |
6 |
9 |
|
B |
36 |
11 |
21127 |
◊ |
A |
x,y,z-1 |
1_554 |
43 |
18 |
21097 |
371.6 |
-3.0 |
0.381 |
3 |
0 |
0 |
0.000 |
7 |
10 |
|
[B3P]A:506 |
13 |
1 |
462 |
f |
A |
x,y,z |
1_555 |
32 |
12 |
21097 |
221.2 |
3.4 |
0.461 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
[B3P]B:506 |
15 |
1 |
462 |
◊ |
B |
x,y,z |
1_555 |
32 |
12 |
21127 |
200.1 |
2.2 |
0.318 |
1 |
0 |
0 |
0.000 |
9 |
12 |
|
B |
17 |
6 |
21127 |
◊ |
A |
x,y-1,z-1 |
1_544 |
18 |
6 |
21097 |
142.0 |
0.5 |
0.603 |
1 |
2 |
0 |
0.000 |
10 |
13 |
|
B |
20 |
7 |
21127 |
x |
B |
x-1,y,z |
1_455 |
14 |
5 |
21127 |
135.7 |
0.1 |
0.567 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
[B3P]B:506 |
9 |
1 |
462 |
f |
A |
x-1,y,z |
1_455 |
14 |
4 |
21097 |
100.6 |
-0.3 |
0.214 |
0 |
0 |
0 |
0.003 |
12 |
15 |
|
[B3P]A:506 |
7 |
1 |
462 |
f |
[5MY]A:501 |
x,y,z |
1_555 |
8 |
1 |
572 |
65.9 |
-2.4 |
0.287 |
2 |
0 |
0 |
0.029 |
13 |
16 |
|
[B3P]A:506 |
7 |
1 |
462 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
21127 |
58.8 |
0.1 |
0.287 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
[MG]B:503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
21127 |
50.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.085 |
18 |
|
[MG]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
21097 |
45.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
48.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.085 |
15 |
19 |
|
[MG]A:504 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
21097 |
45.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.102 |
20 |
|
[MG]B:504 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
21127 |
43.6 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.102 |
Average: |
44.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.102 |
16 |
21 |
|
[MG]A:504 |
1 |
1 |
98 |
f |
[ADP]A:502 |
x,y,z |
1_555 |
6 |
1 |
538 |
32.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.075 |
22 |
|
[MG]B:504 |
1 |
1 |
98 |
f |
[ADP]B:502 |
x,y,z |
1_555 |
4 |
1 |
544 |
23.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.075 |
Average: |
27.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.075 |
17 |
23 |
|
[MG]B:503 |
1 |
1 |
98 |
f |
[5MY]B:501 |
x,y,z |
1_555 |
5 |
1 |
579 |
24.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.036 |
24 |
|
[MG]A:503 |
1 |
1 |
98 |
f |
[5MY]A:501 |
x,y,z |
1_555 |
5 |
1 |
572 |
15.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
20.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.036 |
18 |
25 |
|
[MG]A:503 |
1 |
1 |
98 |
f |
[ADP]A:502 |
x,y,z |
1_555 |
3 |
1 |
538 |
24.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.058 |
26 |
|
[MG]B:503 |
1 |
1 |
98 |
f |
[ADP]B:502 |
x,y,z |
1_555 |
4 |
1 |
544 |
23.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.058 |
Average: |
24.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.058 |
19 |
27 |
|
[ADP]B:502 |
4 |
1 |
544 |
f |
[5MY]B:501 |
x,y,z |
1_555 |
2 |
1 |
579 |
20.3 |
-1.4 |
0.537 |
0 |
0 |
0 |
0.015 |
28 |
|
[ADP]A:502 |
4 |
1 |
538 |
f |
[5MY]A:501 |
x,y,z |
1_555 |
2 |
1 |
572 |
18.9 |
-0.3 |
0.639 |
0 |
0 |
0 |
0.015 |
Average: |
19.6 |
-0.8 |
0.588 |
0 |
0 |
0 |
0.015 |
20 |
29 |
|
[MG]A:504 |
1 |
1 |
98 |
f |
[MG]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.015 |
21 |
30 |
|
[5MY]B:501 |
1 |
1 |
579 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
21097 |
6.9 |
-0.1 |
0.559 |
0 |
0 |
0 |
0.000 |
31 |
|
[5MY]A:501 |
1 |
1 |
572 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
21127 |
6.4 |
-0.1 |
0.555 |
0 |
0 |
0 |
0.000 |
Average: |
6.7 |
-0.1 |
0.557 |
0 |
0 |
0 |
0.000 |
22 |
32 |
|
[B3P]B:506 |
2 |
1 |
462 |
f |
[ZN]B:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.021 |
23 |
33 |
|
A |
2 |
2 |
21097 |
x |
A |
x-1,y+1,z |
1_465 |
3 |
2 |
21097 |
5.1 |
0.0 |
0.620 |
0 |
0 |
0 |
0.000 |
24 |
34 |
|
[MG]B:504 |
1 |
1 |
98 |
f |
[MG]B:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
25 |
35 |
|
[MG]A:504 |
1 |
1 |
98 |
f |
[5MY]A:501 |
x,y,z |
1_555 |
1 |
1 |
572 |
2.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
|