## |
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 |
389 |
110 |
22706 |
◊ |
A |
x,y,z |
1_555 |
385 |
108 |
22608 |
3747.9 |
-46.2 |
0.015 |
45 |
16 |
0 |
0.371 |
2 |
2 |
|
B |
144 |
43 |
22706 |
◊ |
A |
x-y,-y,-z-1/3 |
5_554 |
143 |
44 |
22608 |
1321.3 |
-9.2 |
0.418 |
12 |
6 |
0 |
0.121 |
3 |
3 |
|
[OXT]B:1566 |
73 |
1 |
1442 |
f |
B |
x,y,z |
1_555 |
125 |
46 |
22706 |
979.9 |
-25.2 |
0.478 |
24 |
0 |
0 |
0.556 |
4 |
|
[OXT]A:1566 |
74 |
1 |
1447 |
f |
A |
x,y,z |
1_555 |
127 |
44 |
22608 |
978.2 |
-24.9 |
0.503 |
23 |
0 |
0 |
0.556 |
Average: |
979.1 |
-25.1 |
0.491 |
24 |
0 |
0 |
0.556 |
4 |
5 |
|
B |
81 |
21 |
22706 |
◊ |
B |
x-y,-y,-z-1/3 |
5_554 |
81 |
21 |
22706 |
873.3 |
-2.6 |
0.624 |
12 |
6 |
0 |
0.048 |
6 |
|
A |
83 |
21 |
22608 |
◊ |
A |
x-y,-y,-z-1/3 |
5_554 |
83 |
21 |
22608 |
833.9 |
-4.2 |
0.523 |
14 |
6 |
0 |
0.048 |
Average: |
853.6 |
-3.4 |
0.574 |
13 |
6 |
0 |
0.048 |
5 |
7 |
|
[ADP]B:1568 |
26 |
1 |
581 |
f |
B |
x,y,z |
1_555 |
61 |
22 |
22706 |
410.4 |
-8.8 |
0.415 |
11 |
0 |
0 |
0.211 |
8 |
|
[ADP]A:1568 |
27 |
1 |
580 |
f |
A |
x,y,z |
1_555 |
63 |
22 |
22608 |
408.3 |
-8.9 |
0.420 |
10 |
0 |
0 |
0.211 |
Average: |
409.4 |
-8.8 |
0.417 |
11 |
0 |
0 |
0.211 |
6 |
9 |
|
A |
38 |
12 |
22608 |
x |
A |
-y,x-y-1,z+1/3 |
2_545 |
38 |
11 |
22608 |
304.6 |
-0.3 |
0.685 |
4 |
4 |
0 |
0.000 |
7 |
10 |
|
[PGE]B:1569 |
10 |
1 |
334 |
f |
B |
x,y,z |
1_555 |
31 |
11 |
22706 |
187.1 |
4.8 |
0.343 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
[OXT]B:1566 |
20 |
1 |
1442 |
◊ |
A |
x,y,z |
1_555 |
23 |
11 |
22608 |
185.2 |
-2.7 |
0.716 |
3 |
0 |
0 |
0.043 |
12 |
|
[OXT]A:1566 |
20 |
1 |
1447 |
◊ |
B |
x,y,z |
1_555 |
24 |
11 |
22706 |
184.3 |
-2.6 |
0.725 |
3 |
0 |
0 |
0.043 |
Average: |
184.8 |
-2.7 |
0.720 |
3 |
0 |
0 |
0.043 |
9 |
13 |
|
A |
19 |
10 |
22608 |
◊ |
B |
y,x-1,-z |
4_545 |
19 |
10 |
22706 |
180.4 |
3.7 |
0.940 |
3 |
5 |
0 |
0.000 |
10 |
14 |
|
[B3P]B:1570 |
13 |
1 |
465 |
◊ |
B |
x,y,z |
1_555 |
24 |
9 |
22706 |
178.5 |
3.0 |
0.479 |
4 |
0 |
0 |
0.000 |
11 |
15 |
|
[PGE]A:1569 |
10 |
1 |
338 |
f |
A |
x,y,z |
1_555 |
29 |
11 |
22608 |
175.0 |
5.3 |
0.394 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
[B3P]A:1571 |
13 |
1 |
463 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
22608 |
173.5 |
2.5 |
0.481 |
7 |
0 |
0 |
0.005 |
13 |
17 |
|
[B3P]B:1571 |
8 |
1 |
468 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
22706 |
109.7 |
2.8 |
0.632 |
3 |
0 |
0 |
0.000 |
14 |
18 |
|
[B3P]A:1570 |
8 |
1 |
475 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
22608 |
108.4 |
2.2 |
0.485 |
4 |
0 |
0 |
0.000 |
15 |
19 |
|
[B3P]A:1572 |
6 |
1 |
472 |
◊ |
A |
x-y,-y,-z-1/3 |
5_554 |
11 |
4 |
22608 |
91.2 |
1.0 |
0.439 |
1 |
0 |
0 |
0.000 |
16 |
20 |
|
[B3P]B:1572 |
6 |
1 |
466 |
◊ |
B |
x-y,-y,-z-1/3 |
5_554 |
11 |
4 |
22706 |
90.1 |
1.5 |
0.497 |
2 |
0 |
0 |
0.000 |
17 |
21 |
|
[B3P]A:1572 |
6 |
1 |
472 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
22608 |
74.4 |
0.2 |
0.338 |
2 |
0 |
0 |
0.005 |
18 |
22 |
|
[B3P]B:1572 |
9 |
1 |
466 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
22706 |
72.3 |
0.1 |
0.247 |
1 |
0 |
0 |
0.003 |
19 |
23 |
|
B |
5 |
2 |
22706 |
x |
B |
-y+1,x-y,z+1/3 |
2_655 |
7 |
3 |
22706 |
63.8 |
-0.7 |
0.419 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[B3P]B:1571 |
8 |
1 |
468 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
22608 |
59.1 |
0.6 |
0.381 |
1 |
0 |
0 |
0.000 |
21 |
25 |
|
[B3P]A:1570 |
8 |
1 |
475 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
22706 |
58.9 |
0.3 |
0.249 |
3 |
0 |
0 |
0.008 |
22 |
26 |
|
B |
7 |
2 |
22706 |
x |
B |
y,x-1,-z |
4_545 |
6 |
2 |
22706 |
58.8 |
-0.9 |
0.358 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[B3P]B:1572 |
6 |
1 |
466 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
22608 |
53.4 |
1.5 |
0.485 |
1 |
0 |
0 |
0.000 |
24 |
28 |
|
[B3P]A:1572 |
6 |
1 |
472 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
22706 |
49.3 |
1.5 |
0.506 |
1 |
0 |
0 |
0.000 |
25 |
29 |
|
[MG]A:1567 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
22608 |
36.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.097 |
30 |
|
[MG]B:1567 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
22706 |
36.5 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.097 |
Average: |
36.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.097 |
26 |
31 |
|
A |
4 |
1 |
22608 |
f |
[B3P]B:1570 |
-x+1,-x+y,-z+1/3 |
6_655 |
6 |
1 |
465 |
34.5 |
-0.6 |
0.243 |
0 |
0 |
0 |
0.005 |
27 |
32 |
|
[MG]A:1567 |
1 |
1 |
98 |
f |
[OXT]A:1566 |
x,y,z |
1_555 |
4 |
1 |
1447 |
32.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.080 |
33 |
|
[MG]B:1567 |
1 |
1 |
98 |
f |
[OXT]B:1566 |
x,y,z |
1_555 |
4 |
1 |
1442 |
32.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
32.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.080 |
28 |
34 |
|
A |
3 |
1 |
22608 |
x |
A |
y,x-1,-z |
4_545 |
2 |
1 |
22608 |
27.7 |
-0.9 |
0.166 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[PGE]B:1569 |
4 |
1 |
334 |
f |
[ADP]B:1568 |
x,y,z |
1_555 |
1 |
1 |
581 |
25.2 |
1.1 |
0.270 |
1 |
0 |
0 |
0.000 |
30 |
36 |
|
[PGE]A:1569 |
4 |
1 |
338 |
f |
[ADP]A:1568 |
x,y,z |
1_555 |
1 |
1 |
580 |
24.0 |
1.1 |
0.277 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[B3P]A:1571 |
2 |
1 |
463 |
◊ |
B |
y,x-1,-z |
4_545 |
1 |
1 |
22706 |
15.7 |
0.5 |
0.460 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
A |
1 |
1 |
22608 |
◊ |
[B3P]A:1570 |
y,x-1,-z |
4_545 |
1 |
1 |
475 |
6.6 |
0.1 |
0.283 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[B3P]A:1570 |
1 |
1 |
475 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
1 |
1 |
22706 |
0.2 |
0.0 |
0.389 |
0 |
0 |
0 |
0.000 |
|