| ## |
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 |
301 |
83 |
24214 |
◊ |
A |
x,y,z |
1_555 |
323 |
94 |
24103 |
3012.0 |
-30.0 |
0.026 |
41 |
16 |
0 |
0.472 |
2 |
|
D |
308 |
90 |
24366 |
◊ |
A |
-x,-y,z |
2_555 |
295 |
82 |
24103 |
2896.1 |
-28.4 |
0.034 |
40 |
14 |
0 |
0.472 |
3 |
|
C |
310 |
85 |
24550 |
◊ |
B |
x,y,z |
1_555 |
306 |
89 |
24214 |
2870.1 |
-30.2 |
0.024 |
34 |
13 |
0 |
0.472 |
4 |
|
D |
297 |
81 |
24366 |
◊ |
C |
x,y,z |
1_555 |
299 |
90 |
24550 |
2850.0 |
-28.9 |
0.026 |
39 |
11 |
0 |
0.472 |
| Average: |
2907.0 |
-29.4 |
0.028 |
39 |
14 |
0 |
0.472 |
| 2 |
5 |
|
C |
85 |
24 |
24550 |
◊ |
A |
-x,y,-z+1 |
3_556 |
86 |
22 |
24103 |
880.2 |
7.1 |
0.927 |
18 |
24 |
0 |
0.026 |
6 |
|
D |
85 |
22 |
24366 |
◊ |
D |
x,-y,-z+1 |
4_556 |
85 |
22 |
24366 |
857.5 |
4.9 |
0.877 |
16 |
26 |
0 |
0.026 |
7 |
|
B |
85 |
23 |
24214 |
◊ |
B |
-x,y,-z+1 |
3_556 |
84 |
23 |
24214 |
851.2 |
4.6 |
0.889 |
18 |
24 |
0 |
0.026 |
| Average: |
863.0 |
5.6 |
0.898 |
17 |
25 |
0 |
0.026 |
| 3 |
8 |
|
[ADP]B:545 |
27 |
1 |
568 |
f |
B |
x,y,z |
1_555 |
61 |
29 |
24214 |
421.5 |
-7.6 |
0.474 |
9 |
0 |
0 |
0.116 |
9 |
|
[ADP]D:545 |
27 |
1 |
568 |
f |
D |
x,y,z |
1_555 |
60 |
30 |
24366 |
414.2 |
-7.2 |
0.468 |
12 |
0 |
0 |
0.116 |
10 |
|
[ADP]A:545 |
27 |
1 |
568 |
f |
A |
x,y,z |
1_555 |
54 |
27 |
24103 |
410.0 |
-7.8 |
0.438 |
10 |
0 |
0 |
0.116 |
11 |
|
[ADP]C:545 |
27 |
1 |
569 |
f |
C |
x,y,z |
1_555 |
57 |
28 |
24550 |
409.8 |
-7.9 |
0.415 |
7 |
0 |
0 |
0.116 |
| Average: |
413.9 |
-7.7 |
0.449 |
10 |
0 |
0 |
0.116 |
| 4 |
12 |
|
C |
41 |
15 |
24550 |
◊ |
A |
x-1/2,-y-1/2,-z+1/2 |
8_445 |
45 |
14 |
24103 |
335.4 |
0.5 |
0.615 |
7 |
0 |
0 |
0.000 |
| 5 |
13 |
|
B |
28 |
11 |
24214 |
◊ |
A |
x-1/2,-y-1/2,-z+1/2 |
8_445 |
26 |
7 |
24103 |
232.4 |
0.7 |
0.683 |
3 |
2 |
0 |
0.000 |
| 6 |
14 |
|
[SO4]C:546 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
24550 |
96.1 |
-13.8 |
0.748 |
3 |
0 |
0 |
0.037 |
| 7 |
15 |
|
[SO4]A:546 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
24103 |
95.6 |
-12.9 |
0.873 |
3 |
0 |
0 |
0.035 |
| 8 |
16 |
|
[SO4]D:546 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
24366 |
95.3 |
-13.6 |
0.882 |
6 |
0 |
0 |
0.040 |
| 9 |
17 |
|
[SO4]B:546 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
24214 |
93.2 |
-13.3 |
0.825 |
4 |
0 |
0 |
0.037 |
| 10 |
18 |
|
[SO4]A:547 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
24103 |
78.6 |
-10.2 |
0.921 |
4 |
0 |
0 |
0.029 |
| 11 |
19 |
|
[SO4]D:547 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
24366 |
77.7 |
-10.0 |
0.872 |
2 |
0 |
0 |
0.027 |
| 12 |
20 |
|
[SO4]C:547 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
24550 |
75.0 |
-9.7 |
0.906 |
2 |
0 |
0 |
0.026 |
| 13 |
21 |
|
[SO4]B:547 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
24214 |
73.2 |
-9.6 |
0.868 |
2 |
0 |
0 |
0.026 |
| 14 |
22 |
|
B |
7 |
3 |
24214 |
◊ |
D |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
10 |
4 |
24366 |
48.3 |
0.2 |
0.617 |
0 |
1 |
0 |
0.000 |
| 15 |
23 |
|
[MG]D:544 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
24366 |
44.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.050 |
24 |
|
[MG]A:544 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
24103 |
44.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.050 |
25 |
|
[MG]C:544 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
24550 |
43.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.050 |
26 |
|
[MG]B:544 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
24214 |
41.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.050 |
| Average: |
43.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.050 |
| 16 |
27 |
|
C |
6 |
4 |
24550 |
◊ |
B |
-x,y,-z+1 |
3_556 |
4 |
3 |
24214 |
43.9 |
-0.3 |
0.488 |
0 |
0 |
0 |
0.002 |
28 |
|
D |
5 |
2 |
24366 |
◊ |
A |
-x,y,-z+1 |
3_556 |
4 |
3 |
24103 |
34.2 |
-0.4 |
0.445 |
0 |
0 |
0 |
0.002 |
| Average: |
39.1 |
-0.3 |
0.467 |
0 |
0 |
0 |
0.002 |
| 17 |
29 |
|
[SO4]C:547 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
24366 |
39.0 |
-4.5 |
0.663 |
0 |
0 |
0 |
0.011 |
| 18 |
30 |
|
[SO4]A:547 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
24214 |
37.7 |
-4.6 |
0.645 |
0 |
0 |
0 |
0.011 |
| 19 |
31 |
|
[ADP]B:545 |
4 |
1 |
568 |
f |
[MG]B:544 |
x,y,z |
1_555 |
1 |
1 |
98 |
37.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.057 |
32 |
|
[ADP]C:545 |
5 |
1 |
569 |
f |
[MG]C:544 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.057 |
33 |
|
[ADP]A:545 |
5 |
1 |
568 |
f |
[MG]A:544 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.057 |
34 |
|
[ADP]D:545 |
5 |
1 |
568 |
f |
[MG]D:544 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
36.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.057 |
| 20 |
35 |
|
D |
3 |
2 |
24366 |
◊ |
B |
-x,-y,z |
2_555 |
4 |
2 |
24214 |
35.1 |
-0.8 |
0.233 |
0 |
0 |
0 |
0.007 |
36 |
|
D |
4 |
2 |
24366 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
24214 |
33.3 |
-0.7 |
0.244 |
0 |
0 |
0 |
0.007 |
37 |
|
C |
3 |
2 |
24550 |
◊ |
A |
-x,-y,z |
2_555 |
3 |
1 |
24103 |
32.6 |
-0.7 |
0.229 |
0 |
0 |
0 |
0.007 |
38 |
|
C |
3 |
1 |
24550 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
24103 |
31.9 |
-0.7 |
0.263 |
0 |
0 |
0 |
0.007 |
| Average: |
33.2 |
-0.7 |
0.242 |
0 |
0 |
0 |
0.007 |
| 21 |
39 |
|
[SO4]D:547 |
4 |
1 |
185 |
◊ |
A |
-x,-y,z |
2_555 |
6 |
3 |
24103 |
35.0 |
-3.8 |
0.842 |
1 |
0 |
0 |
0.010 |
| 22 |
40 |
|
[SO4]B:547 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
24550 |
31.3 |
-3.5 |
0.898 |
1 |
0 |
0 |
0.010 |
| 23 |
41 |
|
A |
4 |
3 |
24103 |
◊ |
A |
x,-y,-z+1 |
4_556 |
4 |
3 |
24103 |
22.8 |
-0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
| 24 |
42 |
|
[SO4]D:546 |
1 |
1 |
184 |
◊ |
A |
-x,-y,z |
2_555 |
1 |
1 |
24103 |
4.6 |
-0.4 |
0.826 |
0 |
0 |
0 |
0.000 |
|