## |
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 |
115 |
31 |
10914 |
◊ |
A |
x,y,z |
1_555 |
112 |
30 |
10788 |
1115.2 |
-17.0 |
0.033 |
7 |
0 |
0 |
1.000 |
2 |
|
F |
111 |
31 |
10788 |
◊ |
C |
x,y,z |
1_555 |
114 |
30 |
10859 |
1100.7 |
-18.7 |
0.021 |
7 |
0 |
0 |
1.000 |
3 |
|
H |
107 |
30 |
10983 |
◊ |
D |
x,y,z |
1_555 |
110 |
28 |
10854 |
1076.6 |
-16.7 |
0.026 |
6 |
0 |
0 |
1.000 |
4 |
|
G |
113 |
30 |
10945 |
◊ |
B |
x,y,z |
1_555 |
108 |
29 |
10900 |
1066.6 |
-18.8 |
0.013 |
7 |
0 |
0 |
1.000 |
Average: |
1089.8 |
-17.8 |
0.023 |
7 |
0 |
0 |
1.000 |
2 |
5 |
|
A |
74 |
19 |
10788 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
67 |
17 |
10983 |
605.5 |
1.6 |
0.760 |
8 |
4 |
0 |
0.000 |
3 |
6 |
|
C |
52 |
15 |
10859 |
◊ |
A |
x,y,z |
1_555 |
55 |
15 |
10788 |
539.9 |
-3.1 |
0.449 |
6 |
0 |
0 |
0.000 |
7 |
|
G |
55 |
16 |
10945 |
◊ |
E |
x,y,z |
1_555 |
58 |
16 |
10914 |
532.9 |
-2.2 |
0.489 |
6 |
0 |
0 |
0.000 |
8 |
|
D |
52 |
15 |
10854 |
◊ |
B |
x,y,z |
1_555 |
53 |
15 |
10900 |
522.5 |
-2.6 |
0.474 |
6 |
0 |
0 |
0.000 |
9 |
|
H |
52 |
14 |
10983 |
◊ |
F |
x,y,z |
1_555 |
53 |
15 |
10788 |
514.7 |
-2.0 |
0.525 |
6 |
0 |
0 |
0.000 |
Average: |
527.5 |
-2.4 |
0.484 |
6 |
0 |
0 |
0.000 |
4 |
10 |
|
G |
40 |
13 |
10945 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
51 |
14 |
10900 |
390.8 |
-3.1 |
0.345 |
6 |
1 |
0 |
0.000 |
5 |
11 |
|
F |
39 |
12 |
10788 |
◊ |
H |
x-1/2,-y-1/2,-z+1 |
4_446 |
48 |
14 |
10983 |
366.7 |
1.0 |
0.752 |
6 |
3 |
0 |
0.000 |
6 |
12 |
|
H |
45 |
15 |
10983 |
◊ |
B |
x,y,z |
1_555 |
44 |
20 |
10900 |
342.8 |
2.4 |
0.826 |
5 |
2 |
0 |
0.000 |
13 |
|
H |
39 |
16 |
10983 |
◊ |
C |
x,y,z |
1_555 |
38 |
13 |
10859 |
336.7 |
1.9 |
0.806 |
5 |
3 |
0 |
0.000 |
14 |
|
F |
39 |
16 |
10788 |
◊ |
D |
x,y,z |
1_555 |
37 |
14 |
10854 |
319.9 |
1.9 |
0.820 |
5 |
6 |
0 |
0.000 |
15 |
|
F |
38 |
14 |
10788 |
◊ |
A |
x,y,z |
1_555 |
35 |
15 |
10788 |
318.9 |
1.3 |
0.775 |
5 |
5 |
0 |
0.000 |
16 |
|
G |
37 |
15 |
10945 |
◊ |
A |
x,y,z |
1_555 |
35 |
12 |
10788 |
311.8 |
1.4 |
0.762 |
3 |
3 |
0 |
0.000 |
17 |
|
G |
36 |
13 |
10945 |
◊ |
D |
x,y,z |
1_555 |
33 |
13 |
10854 |
311.6 |
2.2 |
0.813 |
4 |
3 |
0 |
0.000 |
18 |
|
E |
37 |
13 |
10914 |
◊ |
C |
x,y,z |
1_555 |
35 |
16 |
10859 |
300.8 |
0.9 |
0.746 |
5 |
3 |
0 |
0.000 |
19 |
|
E |
35 |
14 |
10914 |
◊ |
B |
x,y,z |
1_555 |
40 |
14 |
10900 |
297.5 |
1.2 |
0.772 |
8 |
6 |
0 |
0.000 |
Average: |
317.5 |
1.7 |
0.790 |
5 |
4 |
0 |
0.000 |
7 |
20 |
|
C |
38 |
13 |
10859 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
41 |
12 |
10914 |
312.1 |
-1.8 |
0.496 |
1 |
3 |
0 |
0.000 |
8 |
21 |
|
F |
23 |
7 |
10788 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
35 |
12 |
10914 |
301.9 |
0.5 |
0.647 |
2 |
2 |
0 |
0.000 |
9 |
22 |
|
[DXP]G:1007 |
13 |
1 |
354 |
f |
G |
x,y,z |
1_555 |
34 |
15 |
10945 |
240.8 |
-1.7 |
0.645 |
7 |
0 |
0 |
0.269 |
23 |
|
[DXP]E:1005 |
13 |
1 |
353 |
f |
E |
x,y,z |
1_555 |
39 |
17 |
10914 |
236.5 |
-2.0 |
0.657 |
5 |
0 |
0 |
0.269 |
24 |
|
[DXP]F:1006 |
13 |
1 |
354 |
f |
F |
x,y,z |
1_555 |
36 |
16 |
10788 |
234.0 |
-1.8 |
0.642 |
5 |
0 |
0 |
0.269 |
25 |
|
[DXP]B:1002 |
13 |
1 |
352 |
f |
B |
x,y,z |
1_555 |
38 |
15 |
10900 |
228.3 |
-0.4 |
0.737 |
5 |
0 |
0 |
0.269 |
Average: |
234.9 |
-1.5 |
0.670 |
6 |
0 |
0 |
0.269 |
10 |
26 |
|
[DXP]C:1003 |
13 |
1 |
356 |
f |
C |
x,y,z |
1_555 |
41 |
16 |
10859 |
228.1 |
-2.1 |
0.630 |
4 |
0 |
0 |
0.094 |
11 |
27 |
|
[DXP]A:1001 |
13 |
1 |
355 |
f |
A |
x,y,z |
1_555 |
39 |
18 |
10788 |
218.7 |
-4.2 |
0.423 |
8 |
0 |
0 |
0.185 |
12 |
28 |
|
A |
19 |
8 |
10788 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
26 |
10 |
10854 |
153.6 |
0.1 |
0.656 |
1 |
2 |
0 |
0.000 |
13 |
29 |
|
[PO4]C:1103 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
24 |
10 |
10859 |
99.6 |
-5.8 |
0.659 |
4 |
0 |
0 |
0.184 |
30 |
|
[PO4]A:1101 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
10788 |
98.9 |
-5.5 |
0.687 |
4 |
0 |
0 |
0.184 |
Average: |
99.3 |
-5.6 |
0.673 |
4 |
0 |
0 |
0.184 |
14 |
31 |
|
[DXP]E:1005 |
6 |
1 |
353 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
10788 |
59.6 |
1.8 |
0.840 |
0 |
0 |
0 |
0.000 |
32 |
|
[DXP]G:1007 |
6 |
1 |
354 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
10900 |
54.7 |
1.8 |
0.844 |
0 |
0 |
0 |
0.000 |
33 |
|
[DXP]F:1006 |
5 |
1 |
354 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
10859 |
51.4 |
1.6 |
0.818 |
0 |
0 |
0 |
0.000 |
34 |
|
[DXP]B:1002 |
5 |
1 |
352 |
◊ |
G |
x,y,z |
1_555 |
5 |
1 |
10945 |
31.6 |
-0.3 |
0.639 |
0 |
0 |
0 |
0.000 |
Average: |
49.3 |
1.3 |
0.785 |
0 |
0 |
0 |
0.000 |
15 |
35 |
|
[DXP]A:1001 |
7 |
1 |
355 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
10914 |
40.1 |
-0.4 |
0.708 |
2 |
0 |
0 |
0.042 |
36 |
|
[DXP]C:1003 |
7 |
1 |
356 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
10788 |
36.5 |
-0.4 |
0.723 |
3 |
0 |
0 |
0.042 |
Average: |
38.3 |
-0.4 |
0.716 |
3 |
0 |
0 |
0.042 |
16 |
37 |
|
[PO4]C:1103 |
4 |
1 |
189 |
f |
[DXP]C:1003 |
x,y,z |
1_555 |
8 |
1 |
356 |
39.3 |
-1.6 |
0.857 |
1 |
0 |
0 |
0.049 |
17 |
38 |
|
[PO4]A:1101 |
4 |
1 |
188 |
f |
[DXP]A:1001 |
x,y,z |
1_555 |
7 |
1 |
355 |
38.6 |
-1.6 |
0.851 |
0 |
0 |
0 |
0.037 |
18 |
39 |
|
F |
2 |
1 |
10788 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
10945 |
34.3 |
-0.4 |
0.268 |
0 |
0 |
0 |
0.000 |
19 |
40 |
|
[PO4]C:1103 |
3 |
1 |
189 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
10788 |
33.9 |
-0.8 |
0.930 |
2 |
0 |
0 |
0.040 |
20 |
41 |
|
D |
1 |
1 |
10854 |
◊ |
H |
x-1/2,-y-1/2,-z+1 |
4_446 |
6 |
1 |
10983 |
32.9 |
-0.7 |
0.136 |
0 |
0 |
0 |
0.000 |
21 |
42 |
|
[PO4]A:1101 |
4 |
1 |
188 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10914 |
32.6 |
-0.7 |
0.973 |
2 |
0 |
0 |
0.037 |
22 |
43 |
|
A |
4 |
3 |
10788 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
2 |
10900 |
12.2 |
0.3 |
0.692 |
0 |
0 |
0 |
0.000 |
23 |
44 |
|
A |
1 |
1 |
10788 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
10914 |
2.6 |
-0.0 |
0.520 |
0 |
0 |
0 |
0.000 |
24 |
45 |
|
C |
1 |
1 |
10859 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
10945 |
0.5 |
0.0 |
0.698 |
0 |
0 |
0 |
0.000 |
|