## |
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 |
168 |
41 |
11932 |
◊ |
A |
x,y,z |
1_555 |
171 |
42 |
11963 |
1518.8 |
-21.1 |
0.081 |
14 |
2 |
0 |
0.320 |
2 |
|
D |
163 |
41 |
11811 |
◊ |
C |
x,y,z |
1_555 |
167 |
41 |
12005 |
1498.7 |
-21.3 |
0.068 |
14 |
3 |
0 |
0.320 |
Average: |
1508.7 |
-21.2 |
0.075 |
14 |
3 |
0 |
0.320 |
2 |
3 |
|
B |
146 |
40 |
11932 |
◊ |
A |
x,-y,-z+2 |
4_557 |
142 |
39 |
11963 |
1450.9 |
-23.1 |
0.022 |
17 |
20 |
0 |
0.378 |
4 |
|
D |
143 |
39 |
11811 |
◊ |
C |
x,-y+1,-z+2 |
4_567 |
148 |
40 |
12005 |
1443.8 |
-23.1 |
0.022 |
16 |
20 |
0 |
0.378 |
Average: |
1447.3 |
-23.1 |
0.022 |
17 |
20 |
0 |
0.378 |
3 |
5 |
|
[NAD]A:300 |
44 |
1 |
821 |
f |
A |
x,y,z |
1_555 |
91 |
34 |
11963 |
585.2 |
-7.4 |
0.583 |
13 |
0 |
0 |
0.303 |
6 |
|
[NAD]D:301 |
44 |
1 |
819 |
f |
D |
x,y,z |
1_555 |
89 |
34 |
11811 |
584.3 |
-7.0 |
0.612 |
14 |
0 |
0 |
0.303 |
7 |
|
[NAD]C:301 |
44 |
1 |
816 |
f |
C |
x,y,z |
1_555 |
88 |
34 |
12005 |
584.1 |
-7.1 |
0.571 |
14 |
0 |
0 |
0.303 |
8 |
|
[NAD]B:301 |
44 |
1 |
819 |
f |
B |
x,y,z |
1_555 |
91 |
36 |
11932 |
583.3 |
-7.2 |
0.582 |
14 |
0 |
0 |
0.303 |
Average: |
584.2 |
-7.2 |
0.587 |
14 |
0 |
0 |
0.303 |
4 |
9 |
|
C |
30 |
11 |
12005 |
◊ |
B |
x,y,z |
1_555 |
28 |
8 |
11932 |
262.3 |
0.5 |
0.673 |
4 |
7 |
0 |
0.000 |
5 |
10 |
|
A |
26 |
8 |
11963 |
◊ |
A |
-x+1,y,-z+5/2 |
3_657 |
26 |
8 |
11963 |
241.4 |
3.2 |
0.929 |
12 |
8 |
0 |
0.000 |
6 |
11 |
|
C |
22 |
7 |
12005 |
◊ |
C |
x,-y+1,-z+2 |
4_567 |
22 |
7 |
12005 |
184.1 |
3.1 |
0.919 |
2 |
0 |
0 |
0.000 |
12 |
|
B |
22 |
7 |
11932 |
◊ |
B |
x,-y,-z+2 |
4_557 |
22 |
7 |
11932 |
181.5 |
3.2 |
0.935 |
2 |
0 |
0 |
0.000 |
13 |
|
D |
22 |
7 |
11811 |
◊ |
D |
x,-y+1,-z+2 |
4_567 |
22 |
7 |
11811 |
181.0 |
3.4 |
0.952 |
2 |
0 |
0 |
0.000 |
14 |
|
A |
21 |
7 |
11963 |
◊ |
A |
x,-y,-z+2 |
4_557 |
21 |
7 |
11963 |
177.5 |
3.0 |
0.930 |
2 |
0 |
0 |
0.000 |
Average: |
181.0 |
3.2 |
0.934 |
2 |
0 |
0 |
0.000 |
7 |
15 |
|
[MPD]C:302 |
7 |
1 |
277 |
f |
C |
x,y,z |
1_555 |
26 |
9 |
12005 |
180.0 |
-11.7 |
0.485 |
1 |
0 |
0 |
0.139 |
8 |
16 |
|
[MPD]B:302 |
7 |
1 |
276 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
11932 |
179.5 |
-11.7 |
0.465 |
1 |
0 |
0 |
0.138 |
9 |
17 |
|
[MPD]A:302 |
7 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
11963 |
170.9 |
-11.3 |
0.502 |
1 |
0 |
0 |
0.134 |
10 |
18 |
|
[MPD]D:302 |
7 |
1 |
278 |
f |
D |
x,y,z |
1_555 |
25 |
8 |
11811 |
167.6 |
-10.7 |
0.545 |
1 |
0 |
0 |
0.128 |
11 |
19 |
|
A |
13 |
7 |
11963 |
◊ |
D |
x-1,y,z |
1_455 |
14 |
5 |
11811 |
123.5 |
1.4 |
0.841 |
2 |
3 |
0 |
0.000 |
12 |
20 |
|
A |
11 |
5 |
11963 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
5 |
11932 |
96.1 |
-1.8 |
0.279 |
0 |
0 |
0 |
0.000 |
21 |
|
C |
11 |
5 |
12005 |
◊ |
D |
x-1,y,z |
1_455 |
10 |
4 |
11811 |
94.9 |
-1.5 |
0.331 |
0 |
0 |
0 |
0.000 |
Average: |
95.5 |
-1.7 |
0.305 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
[PO4]A:301 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
11963 |
92.5 |
-3.9 |
0.885 |
2 |
0 |
0 |
0.055 |
23 |
|
[PO4]C:303 |
5 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
11811 |
91.7 |
-3.9 |
0.898 |
2 |
0 |
0 |
0.055 |
Average: |
92.1 |
-3.9 |
0.892 |
2 |
0 |
0 |
0.055 |
14 |
24 |
|
[PO4]C:303 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
12005 |
92.4 |
-4.0 |
0.874 |
2 |
0 |
0 |
0.056 |
25 |
|
[PO4]A:301 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
11932 |
91.1 |
-4.0 |
0.881 |
2 |
0 |
0 |
0.056 |
Average: |
91.7 |
-4.0 |
0.878 |
2 |
0 |
0 |
0.056 |
15 |
26 |
|
C |
13 |
5 |
12005 |
◊ |
C |
-x+2,y,-z+3/2 |
3_756 |
13 |
5 |
12005 |
84.4 |
3.6 |
0.958 |
0 |
0 |
0 |
0.000 |
16 |
27 |
|
B |
1 |
1 |
11932 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
12005 |
6.9 |
0.1 |
0.496 |
0 |
0 |
0 |
0.000 |
17 |
28 |
|
B |
2 |
1 |
11932 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
11811 |
4.9 |
-0.0 |
0.471 |
0 |
0 |
0 |
0.000 |
|