## |
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 |
|
E |
134 |
11 |
4796 |
◊ |
B |
x,y,z |
1_555 |
165 |
49 |
27772 |
1388.6 |
-20.6 |
0.150 |
19 |
0 |
0 |
0.353 |
2 |
|
C |
133 |
11 |
4798 |
◊ |
A |
x,y,z |
1_555 |
168 |
55 |
27530 |
1348.0 |
-18.5 |
0.187 |
25 |
0 |
0 |
0.353 |
Average: |
1368.3 |
-19.6 |
0.168 |
22 |
0 |
0 |
0.353 |
2 |
3 |
|
F |
106 |
14 |
4736 |
◊ |
B |
x,y,z |
1_555 |
106 |
33 |
27772 |
880.5 |
-5.8 |
0.244 |
7 |
0 |
0 |
0.120 |
4 |
|
D |
114 |
14 |
4785 |
◊ |
A |
x,y,z |
1_555 |
107 |
31 |
27530 |
856.1 |
-2.6 |
0.262 |
4 |
0 |
0 |
0.120 |
Average: |
868.3 |
-4.2 |
0.253 |
6 |
0 |
0 |
0.120 |
3 |
5 |
|
F |
86 |
18 |
4736 |
◊ |
E |
x,y,z |
1_555 |
82 |
19 |
4796 |
815.8 |
-9.6 |
0.664 |
40 |
0 |
0 |
1.000 |
6 |
|
D |
84 |
17 |
4785 |
◊ |
C |
x,y,z |
1_555 |
77 |
19 |
4798 |
778.2 |
-10.9 |
0.628 |
46 |
0 |
0 |
1.000 |
Average: |
797.0 |
-10.3 |
0.646 |
43 |
0 |
0 |
1.000 |
4 |
7 |
|
A |
49 |
13 |
27530 |
◊ |
A |
x,-y+1,-z |
2_565 |
49 |
13 |
27530 |
481.5 |
4.7 |
0.904 |
16 |
8 |
0 |
0.000 |
5 |
8 |
|
B |
54 |
15 |
27772 |
◊ |
A |
x,y,z |
1_555 |
46 |
16 |
27530 |
451.3 |
0.9 |
0.669 |
8 |
5 |
0 |
0.000 |
6 |
9 |
|
A |
42 |
14 |
27530 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
37 |
9 |
27772 |
394.0 |
1.0 |
0.685 |
2 |
2 |
0 |
0.000 |
7 |
10 |
|
A |
39 |
11 |
27530 |
x |
A |
x-1,y,z |
1_455 |
45 |
13 |
27530 |
363.7 |
-1.7 |
0.420 |
2 |
1 |
0 |
0.000 |
11 |
|
B |
40 |
12 |
27772 |
x |
B |
x-1,y,z |
1_455 |
39 |
11 |
27772 |
359.7 |
-2.7 |
0.308 |
1 |
0 |
0 |
0.000 |
Average: |
361.7 |
-2.2 |
0.364 |
2 |
1 |
0 |
0.000 |
8 |
12 |
|
[ADP]A:601 |
25 |
1 |
564 |
f |
A |
x,y,z |
1_555 |
44 |
17 |
27530 |
337.9 |
-4.8 |
0.517 |
11 |
0 |
0 |
0.142 |
13 |
|
[ADP]B:601 |
26 |
1 |
568 |
f |
B |
x,y,z |
1_555 |
43 |
16 |
27772 |
324.9 |
-6.1 |
0.401 |
10 |
0 |
0 |
0.142 |
Average: |
331.4 |
-5.5 |
0.459 |
11 |
0 |
0 |
0.142 |
9 |
14 |
|
A |
29 |
8 |
27530 |
◊ |
F |
x-1,y,z |
1_455 |
23 |
2 |
4736 |
210.2 |
3.2 |
0.828 |
3 |
0 |
0 |
0.000 |
15 |
|
D |
21 |
2 |
4785 |
◊ |
B |
x-1,y,z |
1_455 |
25 |
7 |
27772 |
186.3 |
1.0 |
0.710 |
3 |
0 |
0 |
0.000 |
Average: |
198.3 |
2.1 |
0.769 |
3 |
0 |
0 |
0.000 |
10 |
16 |
|
A |
21 |
7 |
27530 |
◊ |
B |
x-1,y,z |
1_455 |
23 |
7 |
27772 |
153.8 |
1.7 |
0.741 |
2 |
4 |
0 |
0.000 |
11 |
17 |
|
F |
16 |
2 |
4736 |
◊ |
C |
-x,-y+1/2,z-1/2 |
4_554 |
18 |
2 |
4798 |
137.7 |
3.4 |
0.845 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
[PO4]A:609 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
27530 |
137.6 |
-8.1 |
0.736 |
1 |
0 |
0 |
0.075 |
13 |
19 |
|
E |
19 |
2 |
4796 |
◊ |
D |
-x,-y+1/2,z-1/2 |
4_554 |
14 |
2 |
4785 |
136.2 |
3.2 |
0.845 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
C |
11 |
1 |
4798 |
◊ |
B |
x-1,y,z |
1_455 |
18 |
4 |
27772 |
120.7 |
1.6 |
0.724 |
0 |
0 |
0 |
0.000 |
21 |
|
A |
18 |
5 |
27530 |
◊ |
E |
x-1,y,z |
1_455 |
11 |
1 |
4796 |
110.7 |
-0.9 |
0.351 |
0 |
0 |
0 |
0.000 |
Average: |
115.7 |
0.4 |
0.537 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[PO4]B:602 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
17 |
11 |
27772 |
102.9 |
-7.8 |
0.477 |
6 |
0 |
0 |
0.141 |
16 |
23 |
|
[PO4]A:602 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
27530 |
102.4 |
-6.4 |
0.738 |
5 |
0 |
0 |
0.075 |
17 |
24 |
|
[PO4]A:608 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
27530 |
89.3 |
-6.4 |
0.544 |
0 |
0 |
0 |
0.056 |
18 |
25 |
|
[CL]A:605 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
27530 |
76.6 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.088 |
19 |
26 |
|
B |
11 |
2 |
27772 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
12 |
3 |
27772 |
74.3 |
1.0 |
0.627 |
1 |
1 |
0 |
0.000 |
20 |
27 |
|
[CL]B:605 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
27772 |
70.1 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.119 |
28 |
|
[CL]A:607 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
27530 |
68.8 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.119 |
Average: |
69.4 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.119 |
21 |
29 |
|
[MG]B:604 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
27772 |
59.9 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.109 |
22 |
30 |
|
[CL]A:606 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
27530 |
59.5 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.073 |
23 |
31 |
|
[CL]F:101 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
9 |
2 |
4736 |
53.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.200 |
24 |
32 |
|
[MG]A:604 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
27530 |
49.6 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.057 |
25 |
33 |
|
E |
5 |
1 |
4796 |
◊ |
C |
-x,-y+1/2,z-1/2 |
4_554 |
5 |
1 |
4798 |
42.1 |
-0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[MG]B:603 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
27772 |
41.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.071 |
35 |
|
[MG]A:603 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
27530 |
39.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.071 |
Average: |
40.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.071 |
27 |
36 |
|
[CL]F:101 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
1 |
27772 |
40.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.072 |
28 |
37 |
|
[MG]B:603 |
1 |
1 |
98 |
f |
[ADP]B:601 |
x,y,z |
1_555 |
6 |
1 |
568 |
33.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.071 |
38 |
|
[MG]A:603 |
1 |
1 |
98 |
f |
[ADP]A:601 |
x,y,z |
1_555 |
3 |
1 |
564 |
30.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.071 |
Average: |
31.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.071 |
29 |
39 |
|
[PO4]A:602 |
4 |
1 |
189 |
f |
[ADP]A:601 |
x,y,z |
1_555 |
4 |
1 |
564 |
29.6 |
-2.5 |
0.650 |
0 |
0 |
0 |
0.022 |
30 |
40 |
|
[PO4]B:602 |
1 |
1 |
190 |
f |
[ADP]B:601 |
x,y,z |
1_555 |
3 |
1 |
568 |
26.7 |
-2.7 |
0.556 |
0 |
0 |
0 |
0.036 |
31 |
41 |
|
F |
5 |
1 |
4736 |
◊ |
D |
-x,-y+1/2,z-1/2 |
4_554 |
5 |
1 |
4785 |
20.3 |
-0.0 |
0.549 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
[MG]A:603 |
1 |
1 |
98 |
f |
[PO4]A:602 |
x,y,z |
1_555 |
1 |
1 |
189 |
16.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.023 |
33 |
43 |
|
[CL]A:606 |
1 |
1 |
125 |
f |
[CL]A:605 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.025 |
34 |
44 |
|
[MG]B:603 |
1 |
1 |
98 |
f |
[PO4]B:602 |
x,y,z |
1_555 |
2 |
1 |
190 |
12.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.026 |
|