## |
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 |
|
Q |
170 |
45 |
15815 |
◊ |
P |
x,y,z |
1_555 |
181 |
39 |
21715 |
1621.0 |
-27.9 |
0.444 |
15 |
3 |
0 |
0.326 |
2 |
|
D |
168 |
44 |
15827 |
◊ |
C |
x,y,z |
1_555 |
179 |
38 |
21765 |
1618.4 |
-27.4 |
0.451 |
15 |
3 |
0 |
0.326 |
Average: |
1619.7 |
-27.6 |
0.447 |
15 |
3 |
0 |
0.326 |
2 |
3 |
|
P |
133 |
38 |
21715 |
◊ |
C |
x,y,z |
1_555 |
134 |
38 |
21765 |
1228.7 |
-22.1 |
0.696 |
18 |
0 |
0 |
0.234 |
3 |
4 |
|
E |
126 |
34 |
10622 |
◊ |
P |
x,y,z |
1_555 |
130 |
39 |
21715 |
1158.2 |
-18.7 |
0.549 |
6 |
0 |
0 |
0.237 |
5 |
|
R |
117 |
34 |
10629 |
◊ |
C |
x,y,z |
1_555 |
129 |
38 |
21765 |
1132.3 |
-18.6 |
0.513 |
6 |
0 |
0 |
0.237 |
Average: |
1145.2 |
-18.7 |
0.531 |
6 |
0 |
0 |
0.237 |
4 |
6 |
|
[SMA]C:503 |
37 |
1 |
864 |
f |
C |
x,y,z |
1_555 |
76 |
28 |
21765 |
622.1 |
-4.6 |
0.517 |
1 |
0 |
0 |
0.079 |
7 |
|
[SMA]P:503 |
37 |
1 |
859 |
f |
P |
x,y,z |
1_555 |
79 |
29 |
21715 |
621.0 |
-4.6 |
0.540 |
1 |
0 |
0 |
0.079 |
Average: |
621.6 |
-4.6 |
0.528 |
1 |
0 |
0 |
0.079 |
5 |
8 |
|
[HEC]D:501 |
43 |
1 |
820 |
cf |
D |
x,y,z |
1_555 |
72 |
27 |
15827 |
605.4 |
-22.6 |
0.319 |
1 |
0 |
0 |
0.216 |
9 |
|
[HEC]Q:501 |
43 |
1 |
818 |
cf |
Q |
x,y,z |
1_555 |
73 |
26 |
15815 |
602.4 |
-22.5 |
0.333 |
1 |
0 |
0 |
0.216 |
Average: |
603.9 |
-22.5 |
0.326 |
1 |
0 |
0 |
0.216 |
6 |
10 |
|
[HEM]P:501 |
43 |
1 |
786 |
f |
P |
x,y,z |
1_555 |
100 |
31 |
21715 |
604.9 |
-22.3 |
0.717 |
1 |
0 |
0 |
0.353 |
11 |
|
[HEM]C:501 |
43 |
1 |
785 |
f |
C |
x,y,z |
1_555 |
100 |
31 |
21765 |
602.8 |
-22.3 |
0.718 |
1 |
0 |
0 |
0.353 |
Average: |
603.8 |
-22.3 |
0.718 |
1 |
0 |
0 |
0.353 |
7 |
12 |
|
[HEM]P:502 |
43 |
1 |
770 |
f |
P |
x,y,z |
1_555 |
85 |
31 |
21715 |
586.7 |
-19.7 |
0.730 |
4 |
0 |
0 |
0.333 |
13 |
|
[HEM]C:502 |
43 |
1 |
765 |
f |
C |
x,y,z |
1_555 |
85 |
31 |
21765 |
584.9 |
-19.6 |
0.727 |
4 |
0 |
0 |
0.333 |
Average: |
585.8 |
-19.7 |
0.729 |
4 |
0 |
0 |
0.333 |
8 |
14 |
|
R |
47 |
17 |
10629 |
◊ |
Q |
x,y,z |
1_555 |
51 |
17 |
15815 |
541.5 |
-8.4 |
0.243 |
1 |
0 |
0 |
0.063 |
15 |
|
E |
46 |
17 |
10622 |
◊ |
D |
x,y,z |
1_555 |
47 |
16 |
15827 |
522.3 |
-8.1 |
0.246 |
1 |
0 |
0 |
0.063 |
Average: |
531.9 |
-8.2 |
0.244 |
1 |
0 |
0 |
0.063 |
9 |
16 |
|
E |
47 |
13 |
10622 |
◊ |
C |
x,y,z |
1_555 |
46 |
16 |
21765 |
439.3 |
-4.2 |
0.760 |
6 |
1 |
0 |
0.062 |
17 |
|
R |
47 |
13 |
10629 |
◊ |
P |
x,y,z |
1_555 |
47 |
17 |
21715 |
439.2 |
-4.2 |
0.759 |
6 |
1 |
0 |
0.062 |
Average: |
439.2 |
-4.2 |
0.760 |
6 |
1 |
0 |
0.062 |
10 |
18 |
|
E |
14 |
5 |
10622 |
◊ |
C |
x-1,y,z |
1_455 |
20 |
7 |
21765 |
135.6 |
0.5 |
0.889 |
1 |
3 |
0 |
0.000 |
11 |
19 |
|
[FES]R:501 |
4 |
1 |
234 |
f |
R |
x,y,z |
1_555 |
12 |
8 |
10629 |
112.2 |
-15.1 |
0.706 |
3 |
0 |
0 |
0.182 |
20 |
|
[FES]E:501 |
4 |
1 |
234 |
f |
E |
x,y,z |
1_555 |
14 |
8 |
10622 |
111.6 |
-15.0 |
0.711 |
3 |
0 |
0 |
0.182 |
Average: |
111.9 |
-15.1 |
0.709 |
3 |
0 |
0 |
0.182 |
12 |
21 |
|
C |
7 |
4 |
21765 |
◊ |
P |
x,y,z-1 |
1_554 |
7 |
4 |
21715 |
77.4 |
-2.3 |
0.227 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
[SMA]P:503 |
5 |
1 |
859 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
10622 |
62.5 |
-1.3 |
0.367 |
2 |
0 |
0 |
0.024 |
23 |
|
[SMA]C:503 |
5 |
1 |
864 |
◊ |
R |
x,y,z |
1_555 |
9 |
4 |
10629 |
61.8 |
-1.3 |
0.365 |
2 |
0 |
0 |
0.024 |
Average: |
62.2 |
-1.3 |
0.366 |
2 |
0 |
0 |
0.024 |
14 |
24 |
|
E |
8 |
5 |
10622 |
◊ |
P |
x-1,y,z |
1_455 |
9 |
5 |
21715 |
50.8 |
-0.8 |
0.640 |
0 |
0 |
0 |
0.000 |
15 |
25 |
|
E |
10 |
5 |
10622 |
◊ |
Q |
x,y,z |
1_555 |
4 |
3 |
15815 |
44.2 |
0.2 |
0.764 |
1 |
0 |
0 |
0.001 |
26 |
|
R |
7 |
4 |
10629 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
15827 |
25.6 |
0.2 |
0.766 |
0 |
0 |
0 |
0.001 |
Average: |
34.9 |
0.2 |
0.765 |
1 |
0 |
0 |
0.001 |
16 |
27 |
|
R |
3 |
2 |
10629 |
◊ |
P |
x-1,y,z-1 |
1_454 |
3 |
2 |
21715 |
27.2 |
0.5 |
0.892 |
0 |
0 |
0 |
0.000 |
17 |
28 |
|
[FES]E:501 |
2 |
1 |
234 |
◊ |
P |
x,y,z |
1_555 |
3 |
1 |
21715 |
14.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.013 |
29 |
|
[FES]R:501 |
2 |
1 |
234 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
21765 |
14.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
14.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.013 |
18 |
30 |
|
D |
3 |
2 |
15827 |
◊ |
E |
x,y,z-1 |
1_554 |
3 |
2 |
10622 |
7.4 |
-0.2 |
0.552 |
0 |
0 |
0 |
0.000 |
19 |
31 |
|
[HEM]P:501 |
1 |
1 |
786 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
21765 |
4.5 |
-0.1 |
0.574 |
0 |
0 |
0 |
0.002 |
32 |
|
[HEM]C:501 |
1 |
1 |
785 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
21715 |
3.6 |
-0.1 |
0.614 |
0 |
0 |
0 |
0.002 |
Average: |
4.1 |
-0.1 |
0.594 |
0 |
0 |
0 |
0.002 |
20 |
33 |
|
D |
1 |
1 |
15827 |
◊ |
P |
x-1,y,z-1 |
1_454 |
2 |
1 |
21715 |
2.1 |
0.0 |
0.726 |
0 |
0 |
0 |
0.000 |
21 |
34 |
|
[FES]E:501 |
2 |
1 |
234 |
◊ |
[SMA]P:503 |
x,y,z |
1_555 |
1 |
1 |
859 |
1.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
35 |
|
[FES]R:501 |
1 |
1 |
234 |
◊ |
[SMA]C:503 |
x,y,z |
1_555 |
1 |
1 |
864 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
22 |
36 |
|
R |
1 |
1 |
10629 |
◊ |
Q |
x-1,y,z-1 |
1_454 |
1 |
1 |
15815 |
1.4 |
0.0 |
0.635 |
0 |
0 |
0 |
0.000 |
|