## |
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 |
382 |
109 |
22568 |
◊ |
A |
x,y,z |
1_555 |
386 |
110 |
22484 |
3725.6 |
-44.3 |
0.024 |
45 |
15 |
0 |
0.425 |
2 |
2 |
|
B |
141 |
45 |
22568 |
◊ |
A |
x-y,-y,-z-1/3 |
5_554 |
147 |
46 |
22484 |
1314.7 |
-8.6 |
0.469 |
12 |
5 |
0 |
0.081 |
3 |
3 |
|
B |
87 |
22 |
22568 |
◊ |
B |
x-y,-y,-z-1/3 |
5_554 |
87 |
22 |
22568 |
891.0 |
-1.9 |
0.693 |
14 |
10 |
0 |
0.055 |
4 |
|
A |
84 |
22 |
22484 |
◊ |
A |
x-y,-y,-z-1/3 |
5_554 |
84 |
22 |
22484 |
876.8 |
-3.1 |
0.622 |
14 |
8 |
0 |
0.055 |
Average: |
883.9 |
-2.5 |
0.657 |
14 |
9 |
0 |
0.055 |
4 |
5 |
|
[OXK]B:1569 |
51 |
1 |
1033 |
f |
B |
x,y,z |
1_555 |
92 |
32 |
22568 |
733.9 |
-10.8 |
0.513 |
12 |
0 |
0 |
0.207 |
6 |
|
[OXK]A:1569 |
51 |
1 |
1037 |
f |
A |
x,y,z |
1_555 |
89 |
31 |
22484 |
728.7 |
-11.0 |
0.520 |
12 |
0 |
0 |
0.207 |
Average: |
731.3 |
-10.9 |
0.517 |
12 |
0 |
0 |
0.207 |
5 |
7 |
|
[ADP]A:1568 |
27 |
1 |
581 |
f |
A |
x,y,z |
1_555 |
60 |
22 |
22484 |
408.5 |
-9.0 |
0.427 |
10 |
0 |
0 |
0.172 |
8 |
|
[ADP]B:1568 |
26 |
1 |
578 |
f |
B |
x,y,z |
1_555 |
60 |
22 |
22568 |
402.6 |
-8.7 |
0.428 |
11 |
0 |
0 |
0.172 |
Average: |
405.5 |
-8.8 |
0.427 |
11 |
0 |
0 |
0.172 |
6 |
9 |
|
A |
36 |
12 |
22484 |
x |
A |
-y,x-y-1,z+1/3 |
2_545 |
37 |
10 |
22484 |
306.0 |
-0.9 |
0.587 |
4 |
4 |
0 |
0.000 |
7 |
10 |
|
[TPW]A:1566 |
26 |
1 |
594 |
f |
A |
x,y,z |
1_555 |
49 |
20 |
22484 |
273.6 |
-4.9 |
0.392 |
12 |
0 |
0 |
0.129 |
11 |
|
[TPW]B:1566 |
25 |
1 |
591 |
f |
B |
x,y,z |
1_555 |
46 |
20 |
22568 |
272.5 |
-4.7 |
0.384 |
12 |
0 |
0 |
0.129 |
Average: |
273.1 |
-4.8 |
0.388 |
12 |
0 |
0 |
0.129 |
8 |
12 |
|
[PGE]B:1570 |
10 |
1 |
326 |
f |
B |
x,y,z |
1_555 |
35 |
14 |
22568 |
198.0 |
3.8 |
0.300 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
[PGE]A:1570 |
10 |
1 |
333 |
f |
A |
x,y,z |
1_555 |
31 |
11 |
22484 |
185.2 |
5.4 |
0.435 |
1 |
0 |
0 |
0.000 |
10 |
14 |
|
A |
18 |
9 |
22484 |
◊ |
B |
y,x-1,-z |
4_545 |
19 |
9 |
22568 |
153.8 |
3.7 |
0.947 |
3 |
5 |
0 |
0.000 |
11 |
15 |
|
[TPW]A:1566 |
13 |
1 |
594 |
◊ |
B |
x,y,z |
1_555 |
21 |
11 |
22568 |
134.7 |
2.2 |
0.719 |
1 |
0 |
0 |
0.000 |
16 |
|
[TPW]B:1566 |
13 |
1 |
591 |
◊ |
A |
x,y,z |
1_555 |
20 |
11 |
22484 |
132.8 |
2.2 |
0.719 |
1 |
0 |
0 |
0.000 |
Average: |
133.7 |
2.2 |
0.719 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
[B3P]B:1571 |
8 |
1 |
474 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
22568 |
109.2 |
2.6 |
0.565 |
4 |
0 |
0 |
0.000 |
13 |
18 |
|
[B3P]A:1571 |
7 |
1 |
477 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
22484 |
107.2 |
0.6 |
0.382 |
4 |
0 |
0 |
0.008 |
14 |
19 |
|
[OXK]A:1569 |
8 |
1 |
1037 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
22568 |
75.9 |
-0.0 |
0.629 |
2 |
0 |
0 |
0.012 |
20 |
|
[OXK]B:1569 |
9 |
1 |
1033 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
22484 |
75.9 |
-0.1 |
0.629 |
2 |
0 |
0 |
0.012 |
Average: |
75.9 |
-0.0 |
0.629 |
2 |
0 |
0 |
0.012 |
15 |
21 |
|
[B3P]A:1571 |
6 |
1 |
477 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
22568 |
69.1 |
1.8 |
0.541 |
1 |
0 |
0 |
0.000 |
16 |
22 |
|
[OXK]A:1569 |
8 |
1 |
1037 |
f |
[TPW]A:1566 |
x,y,z |
1_555 |
5 |
1 |
594 |
60.8 |
-0.7 |
0.598 |
1 |
0 |
0 |
0.015 |
23 |
|
[OXK]B:1569 |
8 |
1 |
1033 |
f |
[TPW]B:1566 |
x,y,z |
1_555 |
5 |
1 |
591 |
60.6 |
-0.8 |
0.592 |
1 |
0 |
0 |
0.015 |
Average: |
60.7 |
-0.8 |
0.595 |
1 |
0 |
0 |
0.015 |
17 |
24 |
|
B |
6 |
2 |
22568 |
x |
B |
y,x-1,-z |
4_545 |
6 |
2 |
22568 |
57.8 |
-0.9 |
0.322 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
[B3P]B:1571 |
6 |
1 |
474 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
22484 |
55.8 |
2.0 |
0.553 |
2 |
0 |
0 |
0.000 |
19 |
26 |
|
B |
6 |
3 |
22568 |
x |
B |
-y+1,x-y,z+1/3 |
2_655 |
8 |
4 |
22568 |
52.5 |
-0.5 |
0.491 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[MG]A:1567 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
9 |
22484 |
36.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.079 |
28 |
|
[MG]B:1567 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
22568 |
36.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
36.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.079 |
21 |
29 |
|
[PGE]B:1570 |
3 |
1 |
326 |
f |
[ADP]B:1568 |
x,y,z |
1_555 |
3 |
1 |
578 |
35.1 |
1.7 |
0.420 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[MG]B:1567 |
1 |
1 |
98 |
f |
[TPW]B:1566 |
x,y,z |
1_555 |
4 |
1 |
591 |
30.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.062 |
31 |
|
[MG]A:1567 |
1 |
1 |
98 |
f |
[TPW]A:1566 |
x,y,z |
1_555 |
5 |
1 |
594 |
29.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.062 |
Average: |
30.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.062 |
23 |
32 |
|
A |
1 |
1 |
22484 |
x |
A |
y,x-1,-z |
4_545 |
2 |
1 |
22484 |
27.8 |
-0.9 |
0.092 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[PGE]A:1570 |
6 |
1 |
333 |
f |
[ADP]A:1568 |
x,y,z |
1_555 |
1 |
1 |
581 |
23.1 |
0.9 |
0.158 |
0 |
0 |
0 |
0.000 |
|