## |
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 |
|
C |
305 |
81 |
22515 |
◊ |
A |
x,y,z |
1_555 |
305 |
80 |
22495 |
3047.1 |
-33.6 |
0.028 |
26 |
16 |
0 |
0.146 |
2 |
|
D |
297 |
80 |
22304 |
◊ |
B |
x,y,z |
1_555 |
307 |
79 |
22342 |
3007.9 |
-36.1 |
0.015 |
27 |
11 |
0 |
0.146 |
Average: |
3027.5 |
-34.9 |
0.022 |
27 |
14 |
0 |
0.146 |
2 |
3 |
|
B |
127 |
37 |
22342 |
◊ |
A |
x,y,z |
1_555 |
135 |
37 |
22495 |
1286.8 |
-13.0 |
0.153 |
14 |
7 |
0 |
0.065 |
4 |
|
D |
128 |
36 |
22304 |
◊ |
C |
x,y,z |
1_555 |
127 |
36 |
22515 |
1265.9 |
-11.0 |
0.220 |
14 |
7 |
0 |
0.065 |
Average: |
1276.4 |
-12.0 |
0.186 |
14 |
7 |
0 |
0.065 |
3 |
5 |
|
D |
91 |
29 |
22304 |
◊ |
A |
x,y,z-1 |
1_554 |
95 |
29 |
22495 |
824.1 |
-3.3 |
0.555 |
2 |
2 |
0 |
0.000 |
4 |
6 |
|
D |
46 |
16 |
22304 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
46 |
14 |
22342 |
384.4 |
-0.6 |
0.626 |
0 |
3 |
0 |
0.000 |
5 |
7 |
|
A |
44 |
11 |
22495 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
13 |
22515 |
362.8 |
0.9 |
0.695 |
2 |
3 |
0 |
0.000 |
6 |
8 |
|
B |
32 |
10 |
22342 |
◊ |
D |
x-1,y,z |
1_455 |
43 |
14 |
22304 |
352.4 |
-1.9 |
0.482 |
2 |
3 |
0 |
0.000 |
7 |
9 |
|
[FBP]C:601 |
20 |
1 |
466 |
f |
C |
x,y,z |
1_555 |
49 |
21 |
22515 |
325.9 |
-4.6 |
0.656 |
13 |
0 |
0 |
0.034 |
8 |
10 |
|
[FBP]A:602 |
20 |
1 |
477 |
f |
A |
x,y,z |
1_555 |
50 |
20 |
22495 |
324.1 |
-4.8 |
0.664 |
12 |
0 |
0 |
0.033 |
9 |
11 |
|
B |
28 |
10 |
22342 |
◊ |
C |
x-1,y,z-1 |
1_454 |
35 |
12 |
22515 |
284.3 |
-1.1 |
0.535 |
1 |
2 |
0 |
0.000 |
10 |
12 |
|
B |
23 |
7 |
22342 |
x |
B |
-x,y-1/2,-z |
2_545 |
31 |
8 |
22342 |
253.4 |
0.1 |
0.655 |
3 |
2 |
0 |
0.000 |
11 |
13 |
|
[GOL]D:607 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
23 |
11 |
22304 |
149.2 |
-0.4 |
0.576 |
4 |
0 |
0 |
0.007 |
12 |
14 |
|
[GOL]C:605 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
27 |
10 |
22515 |
141.0 |
-0.4 |
0.517 |
3 |
0 |
0 |
0.006 |
13 |
15 |
|
[GOL]D:606 |
6 |
1 |
222 |
f |
D |
x,y,z |
1_555 |
25 |
10 |
22304 |
140.5 |
-0.4 |
0.590 |
4 |
0 |
0 |
0.007 |
14 |
16 |
|
[GOL]A:605 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
22495 |
140.2 |
-0.4 |
0.553 |
4 |
0 |
0 |
0.007 |
15 |
17 |
|
[GOL]B:605 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
22342 |
138.8 |
-0.4 |
0.539 |
6 |
0 |
0 |
0.010 |
16 |
18 |
|
[SO4]B:602 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
21 |
12 |
22342 |
120.8 |
-19.7 |
0.702 |
9 |
0 |
0 |
0.076 |
17 |
19 |
|
A |
15 |
6 |
22495 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
4 |
22304 |
119.5 |
-0.0 |
0.626 |
1 |
1 |
0 |
0.000 |
18 |
20 |
|
[SO4]D:603 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
20 |
11 |
22304 |
116.9 |
-20.0 |
0.713 |
8 |
0 |
0 |
0.077 |
19 |
21 |
|
[K]B:604 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
17 |
13 |
22342 |
113.3 |
-89.1 |
0.000 |
0 |
0 |
0 |
0.592 |
22 |
|
[K]C:604 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
18 |
13 |
22515 |
112.3 |
-91.7 |
0.000 |
0 |
0 |
0 |
0.592 |
23 |
|
[K]D:605 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
18 |
13 |
22304 |
110.9 |
-90.1 |
0.000 |
0 |
0 |
0 |
0.592 |
24 |
|
[K]A:603 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
13 |
22495 |
109.5 |
-87.7 |
0.000 |
0 |
0 |
0 |
0.592 |
Average: |
111.5 |
-89.6 |
0.000 |
0 |
0 |
0 |
0.592 |
20 |
25 |
|
C |
15 |
4 |
22515 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
4 |
22515 |
109.3 |
0.1 |
0.561 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[OXD]C:602 |
6 |
1 |
199 |
f |
C |
x,y,z |
1_555 |
15 |
10 |
22515 |
102.2 |
-0.0 |
0.677 |
5 |
0 |
0 |
0.013 |
27 |
|
[OXD]A:601 |
6 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
14 |
10 |
22495 |
101.3 |
0.1 |
0.686 |
5 |
0 |
0 |
0.013 |
Average: |
101.7 |
0.0 |
0.682 |
5 |
0 |
0 |
0.013 |
22 |
28 |
|
[OXD]B:601 |
6 |
1 |
199 |
f |
B |
x,y,z |
1_555 |
14 |
10 |
22342 |
101.7 |
-0.7 |
0.552 |
5 |
0 |
0 |
0.010 |
23 |
29 |
|
[OXD]D:601 |
6 |
1 |
199 |
f |
D |
x,y,z |
1_555 |
15 |
10 |
22304 |
100.8 |
-0.6 |
0.574 |
5 |
0 |
0 |
0.009 |
24 |
30 |
|
[PO4]D:602 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
22304 |
100.6 |
-6.1 |
0.716 |
2 |
0 |
0 |
0.023 |
25 |
31 |
|
[PO4]A:606 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
22495 |
96.1 |
-5.8 |
0.722 |
2 |
0 |
0 |
0.022 |
26 |
32 |
|
A |
8 |
3 |
22495 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
9 |
5 |
22342 |
70.5 |
-0.8 |
0.361 |
1 |
0 |
0 |
0.000 |
27 |
33 |
|
[PO4]A:607 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
22495 |
67.0 |
-3.0 |
0.893 |
2 |
0 |
0 |
0.013 |
28 |
34 |
|
A |
11 |
5 |
22495 |
◊ |
C |
x-1,y,z |
1_455 |
9 |
4 |
22515 |
57.6 |
1.2 |
0.807 |
1 |
2 |
0 |
0.000 |
29 |
35 |
|
C |
4 |
2 |
22515 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
22342 |
45.8 |
0.1 |
0.687 |
0 |
0 |
0 |
0.000 |
36 |
|
D |
3 |
1 |
22304 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
22495 |
43.5 |
-0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
Average: |
44.6 |
0.0 |
0.643 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
[MG]B:603 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
22342 |
36.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.030 |
38 |
|
[MG]C:603 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
22515 |
36.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.030 |
39 |
|
[MG]A:604 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
22495 |
35.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.030 |
40 |
|
[MG]D:604 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
7 |
22304 |
35.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
36.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.030 |
31 |
41 |
|
[PO4]A:606 |
3 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
22515 |
30.9 |
-1.6 |
0.799 |
0 |
0 |
0 |
0.005 |
32 |
42 |
|
[MG]C:603 |
1 |
1 |
98 |
f |
[OXD]C:602 |
x,y,z |
1_555 |
4 |
1 |
199 |
30.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.024 |
43 |
|
[MG]A:604 |
1 |
1 |
98 |
f |
[OXD]A:601 |
x,y,z |
1_555 |
4 |
1 |
199 |
29.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
30.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.024 |
33 |
44 |
|
[MG]D:604 |
1 |
1 |
98 |
f |
[OXD]D:601 |
x,y,z |
1_555 |
3 |
1 |
199 |
30.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.020 |
45 |
|
[MG]B:603 |
1 |
1 |
98 |
f |
[OXD]B:601 |
x,y,z |
1_555 |
4 |
1 |
199 |
29.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
29.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.020 |
34 |
46 |
|
B |
3 |
3 |
22342 |
◊ |
A |
x-1,y,z-1 |
1_454 |
8 |
3 |
22495 |
28.2 |
0.1 |
0.674 |
0 |
0 |
0 |
0.000 |
35 |
47 |
|
[PO4]D:602 |
2 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
22342 |
27.3 |
-1.3 |
0.886 |
1 |
0 |
0 |
0.005 |
36 |
48 |
|
[K]B:604 |
1 |
1 |
216 |
f |
[OXD]B:601 |
x,y,z |
1_555 |
1 |
1 |
199 |
21.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.031 |
37 |
49 |
|
[K]D:605 |
1 |
1 |
216 |
f |
[OXD]D:601 |
x,y,z |
1_555 |
3 |
1 |
199 |
20.3 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.033 |
38 |
50 |
|
[K]A:603 |
1 |
1 |
216 |
f |
[OXD]A:601 |
x,y,z |
1_555 |
1 |
1 |
199 |
19.3 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.062 |
51 |
|
[K]C:604 |
1 |
1 |
216 |
f |
[OXD]C:602 |
x,y,z |
1_555 |
1 |
1 |
199 |
19.0 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.062 |
Average: |
19.2 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.062 |
39 |
52 |
|
[MG]B:603 |
1 |
1 |
98 |
f |
[K]B:604 |
x,y,z |
1_555 |
1 |
1 |
216 |
16.5 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.033 |
40 |
53 |
|
[MG]D:604 |
1 |
1 |
98 |
f |
[K]D:605 |
x,y,z |
1_555 |
1 |
1 |
216 |
15.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.031 |
41 |
54 |
|
[MG]A:604 |
1 |
1 |
98 |
f |
[K]A:603 |
x,y,z |
1_555 |
1 |
1 |
216 |
15.2 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.029 |
42 |
55 |
|
[MG]C:603 |
1 |
1 |
98 |
f |
[K]C:604 |
x,y,z |
1_555 |
1 |
1 |
216 |
13.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.027 |
43 |
56 |
|
[PO4]A:607 |
1 |
1 |
187 |
f |
[K]A:603 |
x,y,z |
1_555 |
1 |
1 |
216 |
7.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.013 |
44 |
57 |
|
A |
1 |
1 |
22495 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
22304 |
4.0 |
-0.0 |
0.531 |
0 |
0 |
0 |
0.000 |
45 |
58 |
|
A |
1 |
1 |
22495 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
22515 |
3.9 |
-0.0 |
0.660 |
0 |
0 |
0 |
0.000 |
|