## |
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 |
|
A |
213 |
56 |
14658 |
◊ |
C |
x,y,z |
1_555 |
226 |
65 |
13032 |
2111.7 |
-1.5 |
0.323 |
29 |
15 |
0 |
0.838 |
2 |
|
B |
216 |
56 |
14678 |
◊ |
D |
x,y,z |
1_555 |
220 |
64 |
12886 |
2098.2 |
-0.7 |
0.367 |
28 |
16 |
0 |
0.838 |
Average: |
2104.9 |
-1.1 |
0.345 |
29 |
16 |
0 |
0.838 |
2 |
3 |
|
L |
188 |
53 |
11077 |
◊ |
H |
x,y,z |
1_555 |
184 |
48 |
11101 |
1613.7 |
-22.3 |
0.131 |
7 |
1 |
0 |
1.000 |
4 |
|
F |
190 |
53 |
11069 |
◊ |
E |
x,y,z |
1_555 |
181 |
49 |
11148 |
1590.7 |
-22.1 |
0.142 |
8 |
1 |
0 |
1.000 |
Average: |
1602.2 |
-22.2 |
0.137 |
8 |
1 |
0 |
1.000 |
3 |
5 |
|
L |
85 |
27 |
11077 |
◊ |
F |
-x,y-1/2,-z+2 |
2_547 |
86 |
27 |
11069 |
864.1 |
-2.7 |
0.574 |
2 |
4 |
0 |
0.000 |
4 |
6 |
|
H |
65 |
16 |
11101 |
◊ |
A |
x,y,z |
1_555 |
62 |
14 |
14658 |
539.8 |
-5.8 |
0.253 |
0 |
0 |
0 |
0.144 |
7 |
|
E |
60 |
15 |
11148 |
◊ |
B |
x,y,z |
1_555 |
62 |
14 |
14678 |
534.7 |
-5.4 |
0.268 |
0 |
0 |
0 |
0.144 |
Average: |
537.3 |
-5.6 |
0.261 |
0 |
0 |
0 |
0.144 |
5 |
8 |
|
H |
61 |
21 |
11101 |
◊ |
E |
x,y,z |
1_555 |
47 |
20 |
11148 |
513.1 |
4.3 |
0.973 |
3 |
0 |
0 |
0.000 |
6 |
9 |
|
C |
51 |
16 |
13032 |
◊ |
B |
x-1,y,z-1 |
1_454 |
50 |
12 |
14678 |
487.0 |
1.8 |
0.610 |
3 |
6 |
0 |
0.000 |
10 |
|
A |
53 |
12 |
14658 |
◊ |
D |
x,y,z-1 |
1_554 |
49 |
15 |
12886 |
477.2 |
2.2 |
0.631 |
3 |
3 |
0 |
0.000 |
Average: |
482.1 |
2.0 |
0.620 |
3 |
5 |
0 |
0.000 |
7 |
11 |
|
L |
35 |
9 |
11077 |
◊ |
A |
x,y,z |
1_555 |
34 |
9 |
14658 |
327.2 |
-5.5 |
0.072 |
0 |
0 |
0 |
0.138 |
12 |
|
F |
36 |
10 |
11069 |
◊ |
B |
x,y,z |
1_555 |
33 |
9 |
14678 |
321.9 |
-5.3 |
0.083 |
0 |
0 |
0 |
0.138 |
Average: |
324.6 |
-5.4 |
0.078 |
0 |
0 |
0 |
0.138 |
8 |
13 |
|
D |
32 |
12 |
12886 |
◊ |
C |
-x-1,y-1/2,-z+2 |
2_447 |
33 |
12 |
13032 |
311.1 |
7.1 |
0.943 |
4 |
6 |
0 |
0.000 |
9 |
14 |
|
B |
34 |
8 |
14678 |
◊ |
A |
-x-1,y-1/2,-z+2 |
2_447 |
33 |
8 |
14658 |
293.8 |
-1.2 |
0.365 |
4 |
0 |
0 |
0.000 |
10 |
15 |
|
B |
36 |
13 |
14678 |
◊ |
F |
-x,y-1/2,-z+2 |
2_547 |
28 |
6 |
11069 |
283.1 |
0.7 |
0.648 |
2 |
2 |
0 |
0.000 |
11 |
16 |
|
L |
23 |
12 |
11077 |
◊ |
D |
x,y,z-1 |
1_554 |
24 |
8 |
12886 |
209.5 |
0.2 |
0.572 |
0 |
0 |
0 |
0.000 |
17 |
|
C |
20 |
7 |
13032 |
◊ |
F |
x-1,y,z-1 |
1_454 |
22 |
12 |
11069 |
174.2 |
-0.2 |
0.520 |
1 |
0 |
0 |
0.000 |
Average: |
191.9 |
-0.0 |
0.546 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
[PG4]A:402 |
10 |
1 |
342 |
◊ |
A |
x,y,z |
1_555 |
28 |
11 |
14658 |
194.5 |
2.3 |
0.279 |
3 |
0 |
0 |
0.000 |
13 |
19 |
|
L |
21 |
9 |
11077 |
◊ |
B |
x,y,z |
1_555 |
22 |
9 |
14678 |
168.1 |
1.5 |
0.745 |
0 |
1 |
0 |
0.000 |
14 |
20 |
|
D |
13 |
6 |
12886 |
◊ |
C |
-x,y-1/2,-z+2 |
2_547 |
16 |
6 |
13032 |
107.5 |
-0.5 |
0.387 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
L |
14 |
5 |
11077 |
◊ |
C |
-x-1,y-1/2,-z+1 |
2_446 |
8 |
3 |
13032 |
104.7 |
0.8 |
0.682 |
1 |
1 |
0 |
0.000 |
22 |
|
D |
8 |
3 |
12886 |
◊ |
F |
-x,y-1/2,-z+3 |
2_548 |
13 |
5 |
11069 |
101.9 |
0.8 |
0.684 |
1 |
1 |
0 |
0.000 |
Average: |
103.3 |
0.8 |
0.683 |
1 |
1 |
0 |
0.000 |
16 |
23 |
|
[PO4]A:401 |
5 |
1 |
189 |
◊ |
D |
x,y,z-1 |
1_554 |
10 |
5 |
12886 |
58.9 |
-1.7 |
0.923 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
[PO4]A:401 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
14658 |
56.1 |
-3.2 |
0.586 |
0 |
0 |
0 |
0.162 |
18 |
25 |
|
[CL]D:401 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
12886 |
45.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.207 |
19 |
26 |
|
[CL]D:401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
14678 |
44.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.224 |
20 |
27 |
|
[PO4]A:401 |
3 |
1 |
189 |
◊ |
L |
x,y,z |
1_555 |
5 |
3 |
11077 |
20.0 |
-0.9 |
0.807 |
0 |
0 |
0 |
0.023 |
21 |
28 |
|
A |
3 |
1 |
14658 |
◊ |
C |
-x-1,y-1/2,-z+1 |
2_446 |
2 |
1 |
13032 |
19.9 |
0.4 |
0.493 |
0 |
0 |
0 |
0.000 |
29 |
|
D |
2 |
1 |
12886 |
◊ |
B |
-x,y-1/2,-z+3 |
2_548 |
2 |
1 |
14678 |
18.8 |
0.6 |
0.581 |
0 |
0 |
0 |
0.000 |
Average: |
19.4 |
0.5 |
0.537 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
B |
1 |
1 |
14678 |
◊ |
C |
-x,y-1/2,-z+2 |
2_547 |
1 |
1 |
13032 |
12.5 |
-0.1 |
0.373 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[PO4]A:401 |
1 |
1 |
189 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
11101 |
10.6 |
-0.2 |
0.857 |
0 |
0 |
0 |
0.005 |
24 |
32 |
|
H |
1 |
1 |
11101 |
◊ |
D |
x,y,z-1 |
1_554 |
1 |
1 |
12886 |
3.4 |
0.2 |
0.834 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
[PG4]A:402 |
1 |
1 |
342 |
f |
H |
x,y,z |
1_555 |
2 |
1 |
11101 |
3.4 |
0.1 |
0.405 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
A |
2 |
1 |
14658 |
◊ |
F |
x-1,y,z |
1_455 |
2 |
1 |
11069 |
3.2 |
0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
|