## |
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 |
|
D |
325 |
86 |
20788 |
◊ |
C |
x,y,z |
1_555 |
312 |
85 |
21467 |
2937.1 |
-22.4 |
0.161 |
38 |
13 |
0 |
0.508 |
2 |
2 |
|
D |
243 |
73 |
20788 |
◊ |
A |
x,y,z |
1_555 |
249 |
66 |
21815 |
2408.1 |
-18.6 |
0.139 |
21 |
9 |
0 |
0.450 |
3 |
|
F |
226 |
64 |
20746 |
◊ |
C |
x,y,z |
1_555 |
224 |
64 |
21467 |
2218.9 |
-15.7 |
0.179 |
20 |
11 |
0 |
0.450 |
Average: |
2313.5 |
-17.1 |
0.159 |
21 |
10 |
0 |
0.450 |
3 |
4 |
|
F |
223 |
57 |
20746 |
◊ |
B |
x,y,z |
1_555 |
221 |
57 |
21852 |
2060.0 |
-15.4 |
0.292 |
22 |
8 |
0 |
0.363 |
4 |
5 |
|
E |
190 |
58 |
20725 |
◊ |
B |
x,y,z |
1_555 |
191 |
55 |
21852 |
1871.3 |
-14.2 |
0.184 |
16 |
5 |
0 |
0.368 |
5 |
6 |
|
E |
187 |
53 |
20725 |
◊ |
A |
x,y,z |
1_555 |
201 |
57 |
21815 |
1777.6 |
-14.0 |
0.258 |
18 |
6 |
0 |
0.374 |
6 |
7 |
|
I |
111 |
26 |
4757 |
◊ |
H |
x,y,z |
1_555 |
118 |
35 |
7699 |
1100.3 |
-14.8 |
0.424 |
14 |
5 |
0 |
1.000 |
7 |
8 |
|
H |
105 |
32 |
7699 |
◊ |
G |
x,y,z |
1_555 |
109 |
28 |
15424 |
963.1 |
-16.2 |
0.081 |
6 |
1 |
0 |
1.000 |
8 |
9 |
|
I |
85 |
21 |
4757 |
◊ |
G |
x,y,z |
1_555 |
121 |
34 |
15424 |
928.3 |
-12.5 |
0.360 |
12 |
4 |
0 |
1.000 |
9 |
10 |
|
G |
68 |
26 |
15424 |
◊ |
D |
x,y,z |
1_555 |
73 |
21 |
20788 |
683.4 |
-7.4 |
0.216 |
6 |
8 |
0 |
0.056 |
10 |
11 |
|
G |
57 |
20 |
15424 |
◊ |
A |
x,y,z |
1_555 |
69 |
19 |
21815 |
631.0 |
-7.6 |
0.157 |
5 |
6 |
0 |
0.056 |
11 |
12 |
|
G |
57 |
19 |
15424 |
◊ |
E |
x,y,z |
1_555 |
59 |
18 |
20725 |
574.7 |
-8.0 |
0.147 |
7 |
5 |
0 |
0.087 |
12 |
13 |
|
A |
58 |
15 |
21815 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
59 |
15 |
21467 |
524.2 |
-6.2 |
0.205 |
2 |
0 |
0 |
0.000 |
13 |
14 |
|
G |
56 |
23 |
15424 |
◊ |
F |
x,y,z |
1_555 |
44 |
15 |
20746 |
479.8 |
-5.6 |
0.247 |
2 |
0 |
0 |
0.026 |
14 |
15 |
|
[ATP]C:600 |
31 |
1 |
621 |
f |
C |
x,y,z |
1_555 |
48 |
15 |
21467 |
366.3 |
-2.1 |
0.571 |
15 |
0 |
0 |
0.135 |
16 |
|
[ATP]A:600 |
29 |
1 |
625 |
f |
A |
x,y,z |
1_555 |
49 |
17 |
21815 |
344.1 |
-2.6 |
0.516 |
12 |
0 |
0 |
0.135 |
Average: |
355.2 |
-2.3 |
0.544 |
14 |
0 |
0 |
0.135 |
15 |
17 |
|
[ADP]F:600 |
27 |
1 |
551 |
f |
F |
x,y,z |
1_555 |
48 |
17 |
20746 |
355.0 |
-5.3 |
0.472 |
9 |
0 |
0 |
0.165 |
18 |
|
[ADP]D:600 |
27 |
1 |
547 |
f |
D |
x,y,z |
1_555 |
51 |
16 |
20788 |
329.2 |
-6.3 |
0.462 |
10 |
0 |
0 |
0.165 |
Average: |
342.1 |
-5.8 |
0.467 |
10 |
0 |
0 |
0.165 |
16 |
19 |
|
H |
38 |
12 |
7699 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
38 |
10 |
21852 |
333.7 |
0.3 |
0.673 |
5 |
1 |
0 |
0.000 |
17 |
20 |
|
[ADP]B:600 |
26 |
1 |
552 |
f |
B |
x,y,z |
1_555 |
45 |
14 |
21852 |
330.8 |
-3.7 |
0.664 |
13 |
0 |
0 |
0.159 |
18 |
21 |
|
G |
28 |
11 |
15424 |
◊ |
B |
x,y,z |
1_555 |
37 |
11 |
21852 |
300.3 |
-4.9 |
0.126 |
0 |
1 |
0 |
0.037 |
19 |
22 |
|
C |
25 |
7 |
21467 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
27 |
7 |
21852 |
260.7 |
-0.7 |
0.567 |
3 |
0 |
0 |
0.000 |
20 |
23 |
|
[DCW]D:700 |
16 |
1 |
422 |
cf |
D |
x,y,z |
1_555 |
39 |
17 |
20788 |
259.1 |
3.0 |
0.239 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
G |
21 |
7 |
15424 |
◊ |
C |
x,y,z |
1_555 |
25 |
7 |
21467 |
200.7 |
-2.6 |
0.297 |
1 |
0 |
0 |
0.009 |
22 |
25 |
|
H |
23 |
7 |
7699 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
20 |
7 |
21815 |
191.0 |
-3.5 |
0.217 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[GOL]B:701 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
21852 |
147.0 |
-0.8 |
0.528 |
3 |
0 |
0 |
0.035 |
24 |
27 |
|
H |
14 |
4 |
7699 |
◊ |
F |
x-1/2,-y+3/2,-z+1 |
4_466 |
17 |
7 |
20746 |
134.0 |
-0.1 |
0.638 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[ADP]D:600 |
12 |
1 |
547 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
21467 |
122.4 |
-1.5 |
0.667 |
2 |
0 |
0 |
0.030 |
26 |
29 |
|
G |
12 |
4 |
15424 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
13 |
7 |
21815 |
118.5 |
-1.4 |
0.318 |
0 |
1 |
0 |
0.000 |
27 |
30 |
|
D |
11 |
3 |
20788 |
◊ |
E |
x,y-1,z |
1_545 |
17 |
8 |
20725 |
116.3 |
0.8 |
0.787 |
2 |
1 |
0 |
0.000 |
28 |
31 |
|
[SO4]E:630 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
18 |
10 |
20725 |
112.5 |
-13.3 |
0.937 |
4 |
0 |
0 |
0.252 |
29 |
32 |
|
A |
15 |
9 |
21815 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
10 |
4 |
20725 |
110.8 |
1.2 |
0.786 |
1 |
0 |
0 |
0.000 |
30 |
33 |
|
F |
11 |
4 |
20746 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
20788 |
103.1 |
-2.5 |
0.124 |
0 |
0 |
0 |
0.014 |
31 |
34 |
|
C |
13 |
6 |
21467 |
◊ |
B |
x,y-1,z |
1_545 |
10 |
5 |
21852 |
81.0 |
0.8 |
0.632 |
1 |
2 |
0 |
0.000 |
32 |
35 |
|
C |
7 |
4 |
21467 |
◊ |
F |
-x+1,y-1/2,-z+3/2 |
3_646 |
10 |
4 |
20746 |
74.8 |
-1.6 |
0.186 |
0 |
0 |
0 |
0.000 |
33 |
36 |
|
F |
9 |
4 |
20746 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
10 |
4 |
21852 |
71.3 |
0.7 |
0.687 |
1 |
0 |
0 |
0.000 |
34 |
37 |
|
[ADP]F:600 |
7 |
1 |
551 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
21852 |
66.5 |
-2.8 |
0.430 |
3 |
0 |
0 |
0.056 |
35 |
38 |
|
[ATP]C:600 |
8 |
1 |
621 |
◊ |
F |
x,y,z |
1_555 |
10 |
5 |
20746 |
64.4 |
0.6 |
0.693 |
0 |
0 |
0 |
0.000 |
39 |
|
[ATP]A:600 |
7 |
1 |
625 |
◊ |
D |
x,y,z |
1_555 |
13 |
7 |
20788 |
58.0 |
0.3 |
0.662 |
0 |
0 |
0 |
0.000 |
Average: |
61.2 |
0.5 |
0.677 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
I |
10 |
4 |
4757 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
11 |
4 |
21852 |
53.1 |
-0.1 |
0.685 |
0 |
0 |
0 |
0.000 |
37 |
41 |
|
[MG]F:601 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
14 |
6 |
20746 |
51.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.096 |
42 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
20788 |
45.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
48.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.096 |
38 |
43 |
|
[SO4]E:630 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
21815 |
44.8 |
-4.7 |
0.937 |
1 |
0 |
0 |
0.084 |
39 |
44 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
21852 |
43.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.089 |
45 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
21467 |
40.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.089 |
46 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
21815 |
39.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.089 |
Average: |
41.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.089 |
40 |
47 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
[ATP]A:600 |
x,y,z |
1_555 |
5 |
1 |
625 |
39.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.093 |
48 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
[ATP]C:600 |
x,y,z |
1_555 |
5 |
1 |
621 |
39.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.093 |
Average: |
39.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.093 |
41 |
49 |
|
[ADP]B:600 |
6 |
1 |
552 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
20725 |
38.0 |
-0.7 |
0.621 |
0 |
0 |
0 |
0.012 |
42 |
50 |
|
[ADP]B:600 |
4 |
1 |
552 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.144 |
51 |
|
[ADP]F:600 |
4 |
1 |
551 |
f |
[MG]F:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.144 |
52 |
|
[ADP]D:600 |
4 |
1 |
547 |
f |
[MG]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.144 |
Average: |
30.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.144 |
43 |
53 |
|
I |
4 |
1 |
4757 |
◊ |
B |
-x+1/2,-y+2,z-1/2 |
2_574 |
8 |
3 |
21852 |
33.3 |
-0.4 |
0.532 |
0 |
0 |
0 |
0.000 |
44 |
54 |
|
E |
5 |
1 |
20725 |
◊ |
F |
-x+1/2,-y+2,z-1/2 |
2_574 |
3 |
1 |
20746 |
24.3 |
-0.5 |
0.374 |
0 |
0 |
0 |
0.000 |
45 |
55 |
|
[MG]D:601 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
21467 |
9.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
46 |
56 |
|
A |
2 |
2 |
21815 |
◊ |
B |
-x+1/2,-y+2,z-1/2 |
2_574 |
3 |
2 |
21852 |
7.9 |
0.2 |
0.729 |
0 |
0 |
0 |
0.000 |
47 |
57 |
|
[DCW]D:700 |
2 |
1 |
422 |
f |
[ADP]D:600 |
x,y,z |
1_555 |
3 |
1 |
547 |
6.2 |
-0.1 |
0.371 |
0 |
0 |
0 |
0.001 |
48 |
58 |
|
[DCW]D:700 |
2 |
1 |
422 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
21467 |
6.2 |
0.0 |
0.432 |
0 |
0 |
0 |
0.000 |
49 |
59 |
|
I |
2 |
1 |
4757 |
◊ |
E |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
1 |
20725 |
3.8 |
-0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
|