| ## |
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 |
312 |
79 |
22835 |
◊ |
C |
x,y,z |
1_555 |
308 |
78 |
22689 |
3102.7 |
-28.5 |
0.068 |
34 |
6 |
0 |
0.375 |
2 |
|
B |
305 |
76 |
22965 |
◊ |
A |
x,y,z |
1_555 |
309 |
77 |
22909 |
3089.1 |
-27.4 |
0.087 |
36 |
6 |
0 |
0.375 |
| Average: |
3095.9 |
-27.9 |
0.078 |
35 |
6 |
0 |
0.375 |
| 2 |
3 |
|
D |
186 |
52 |
22835 |
◊ |
A |
x,y,z |
1_555 |
186 |
53 |
22909 |
1810.2 |
-18.5 |
0.109 |
15 |
4 |
0 |
0.291 |
4 |
|
C |
189 |
52 |
22689 |
◊ |
B |
x,y,z |
1_555 |
190 |
52 |
22965 |
1800.5 |
-17.9 |
0.116 |
16 |
2 |
0 |
0.291 |
| Average: |
1805.4 |
-18.2 |
0.113 |
16 |
3 |
0 |
0.291 |
| 3 |
5 |
|
C |
79 |
22 |
22689 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
79 |
24 |
22909 |
664.7 |
5.6 |
0.942 |
12 |
6 |
0 |
0.000 |
| 4 |
6 |
|
[NAD]B:501 |
42 |
1 |
859 |
f |
B |
x,y,z |
1_555 |
74 |
31 |
22965 |
544.4 |
-7.3 |
0.345 |
16 |
0 |
0 |
0.329 |
7 |
|
[NAD]C:501 |
42 |
1 |
859 |
f |
C |
x,y,z |
1_555 |
74 |
31 |
22689 |
543.4 |
-7.1 |
0.353 |
16 |
0 |
0 |
0.329 |
8 |
|
[NAD]A:501 |
41 |
1 |
858 |
f |
A |
x,y,z |
1_555 |
76 |
31 |
22909 |
542.7 |
-7.0 |
0.365 |
15 |
0 |
0 |
0.329 |
9 |
|
[NAD]D:501 |
41 |
1 |
857 |
f |
D |
x,y,z |
1_555 |
77 |
32 |
22835 |
541.9 |
-7.0 |
0.359 |
15 |
0 |
0 |
0.329 |
| Average: |
543.1 |
-7.1 |
0.356 |
16 |
0 |
0 |
0.329 |
| 5 |
10 |
|
C |
47 |
13 |
22689 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
22909 |
382.2 |
-5.4 |
0.169 |
2 |
0 |
0 |
0.000 |
11 |
|
D |
47 |
13 |
22835 |
◊ |
B |
x,y,z |
1_555 |
45 |
13 |
22965 |
377.8 |
-5.1 |
0.171 |
2 |
0 |
0 |
0.000 |
| Average: |
380.0 |
-5.2 |
0.170 |
2 |
0 |
0 |
0.000 |
| 6 |
12 |
|
C |
37 |
8 |
22689 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
36 |
7 |
22909 |
331.4 |
-2.3 |
0.412 |
2 |
1 |
0 |
0.000 |
| 7 |
13 |
|
B |
19 |
7 |
22965 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
8 |
22909 |
201.4 |
1.5 |
0.739 |
1 |
3 |
0 |
0.000 |
| 8 |
14 |
|
[NAD]D:501 |
15 |
1 |
857 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
22689 |
168.3 |
-1.8 |
0.515 |
2 |
0 |
0 |
0.046 |
15 |
|
[NAD]A:501 |
15 |
1 |
858 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
22965 |
168.3 |
-2.0 |
0.495 |
2 |
0 |
0 |
0.046 |
16 |
|
[NAD]C:501 |
15 |
1 |
859 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
22835 |
167.4 |
-1.9 |
0.503 |
2 |
0 |
0 |
0.046 |
17 |
|
[NAD]B:501 |
15 |
1 |
859 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
22909 |
167.4 |
-1.7 |
0.540 |
2 |
0 |
0 |
0.046 |
| Average: |
167.9 |
-1.9 |
0.513 |
2 |
0 |
0 |
0.046 |
| 9 |
18 |
|
[GOL]C:503 |
5 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
22689 |
101.5 |
-1.4 |
0.360 |
1 |
0 |
0 |
0.021 |
| 10 |
19 |
|
[PO4]D:506 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
22835 |
98.7 |
-5.3 |
0.859 |
4 |
0 |
0 |
0.070 |
| 11 |
20 |
|
[PO4]C:506 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
22689 |
94.0 |
-5.8 |
0.736 |
1 |
0 |
0 |
0.071 |
| 12 |
21 |
|
[PO4]A:508 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
22909 |
92.7 |
-6.1 |
0.561 |
0 |
0 |
0 |
0.060 |
| 13 |
22 |
|
[GOL]B:503 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
21 |
5 |
22965 |
86.2 |
0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
| 14 |
23 |
|
[PO4]A:504 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
21 |
5 |
22909 |
82.1 |
-5.4 |
0.692 |
0 |
0 |
0 |
0.053 |
| 15 |
24 |
|
[PO4]A:506 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
22909 |
80.8 |
-4.9 |
0.651 |
0 |
0 |
0 |
0.049 |
| 16 |
25 |
|
[PO4]B:505 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
22965 |
78.6 |
-3.6 |
0.901 |
2 |
0 |
0 |
0.051 |
| 17 |
26 |
|
[PO4]D:503 |
4 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
22835 |
78.6 |
-3.6 |
0.844 |
2 |
0 |
0 |
0.044 |
| 18 |
27 |
|
[PO4]C:505 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
22 |
5 |
22689 |
78.6 |
-5.1 |
0.716 |
0 |
0 |
0 |
0.059 |
| 19 |
28 |
|
[PO4]D:504 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
20 |
5 |
22835 |
78.2 |
-5.1 |
0.698 |
0 |
0 |
0 |
0.050 |
| 20 |
29 |
|
[PO4]A:505 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
22909 |
71.9 |
-3.6 |
0.857 |
2 |
0 |
0 |
0.044 |
| 21 |
30 |
|
B |
14 |
4 |
22965 |
◊ |
[PO4]A:504 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
189 |
71.5 |
-3.9 |
0.762 |
0 |
0 |
0 |
0.000 |
| 22 |
31 |
|
[PO4]C:504 |
4 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
22689 |
70.0 |
-3.5 |
0.869 |
2 |
0 |
0 |
0.051 |
| 23 |
32 |
|
[PO4]B:506 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
22965 |
69.0 |
-4.7 |
0.539 |
0 |
0 |
0 |
0.055 |
| 24 |
33 |
|
[PO4]A:507 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
22909 |
65.1 |
-3.6 |
0.771 |
1 |
0 |
0 |
0.040 |
| 25 |
34 |
|
[PO4]B:504 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
22965 |
60.1 |
-2.5 |
0.902 |
2 |
0 |
0 |
0.039 |
| 26 |
35 |
|
[PO4]D:505 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
13 |
3 |
22835 |
56.4 |
-3.1 |
0.801 |
0 |
0 |
0 |
0.031 |
| 27 |
36 |
|
[PO4]C:507 |
4 |
1 |
189 |
f |
A |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
3 |
22909 |
54.1 |
-1.6 |
0.948 |
2 |
0 |
0 |
0.024 |
| 28 |
37 |
|
[CL]A:503 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
22909 |
52.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.012 |
38 |
|
C |
13 |
5 |
22689 |
◊ |
[CL]A:503 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
125 |
51.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
52.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.012 |
| 29 |
39 |
|
[PO4]C:506 |
4 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
7 |
1 |
22835 |
51.5 |
-2.9 |
0.749 |
1 |
0 |
0 |
0.028 |
| 30 |
40 |
|
[PO4]C:508 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
22689 |
46.5 |
-1.1 |
0.957 |
2 |
0 |
0 |
0.023 |
| 31 |
41 |
|
[PO4]C:507 |
4 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
22689 |
44.2 |
-1.5 |
0.930 |
2 |
0 |
0 |
0.000 |
| 32 |
42 |
|
[PO4]C:508 |
3 |
1 |
187 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
3 |
22909 |
38.9 |
-1.6 |
0.881 |
0 |
0 |
0 |
0.002 |
| 33 |
43 |
|
[PO4]A:505 |
4 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
22689 |
38.3 |
-2.0 |
0.763 |
0 |
0 |
0 |
0.000 |
| 34 |
44 |
|
[PO4]C:504 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
22909 |
38.3 |
-2.0 |
0.760 |
0 |
0 |
0 |
0.000 |
| 35 |
45 |
|
[PO4]B:505 |
4 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
22835 |
37.9 |
-2.1 |
0.773 |
0 |
0 |
0 |
0.000 |
| 36 |
46 |
|
[PO4]D:503 |
4 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
22965 |
37.5 |
-1.9 |
0.771 |
0 |
0 |
0 |
0.000 |
| 37 |
47 |
|
B |
1 |
1 |
22965 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
5 |
2 |
22689 |
31.0 |
1.4 |
0.812 |
1 |
0 |
0 |
0.000 |
| 38 |
48 |
|
C |
3 |
2 |
22689 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
22835 |
28.4 |
0.6 |
0.469 |
0 |
0 |
0 |
0.000 |
| 39 |
49 |
|
C |
4 |
2 |
22689 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
2 |
2 |
22909 |
18.8 |
-0.0 |
0.479 |
0 |
0 |
0 |
0.000 |
| 40 |
50 |
|
[PO4]B:504 |
4 |
1 |
188 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
22909 |
17.5 |
-0.4 |
0.926 |
0 |
0 |
0 |
0.000 |
| 41 |
51 |
|
[PO4]D:503 |
1 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
22909 |
12.5 |
-0.7 |
0.742 |
0 |
0 |
0 |
0.006 |
| 42 |
52 |
|
[PO4]B:505 |
1 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
22689 |
12.1 |
-0.6 |
0.729 |
0 |
0 |
0 |
0.007 |
| 43 |
53 |
|
[PO4]A:505 |
1 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
22835 |
7.8 |
-0.4 |
0.740 |
0 |
0 |
0 |
0.004 |
| 44 |
54 |
|
[PO4]C:504 |
1 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
22965 |
7.6 |
-0.4 |
0.734 |
0 |
0 |
0 |
0.004 |
| 45 |
55 |
|
[PO4]C:508 |
3 |
1 |
187 |
◊ |
[PO4]C:507 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
189 |
5.7 |
-0.6 |
0.891 |
0 |
0 |
0 |
0.000 |
| 46 |
56 |
|
C |
3 |
1 |
22689 |
◊ |
[PO4]A:508 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
189 |
4.9 |
-0.3 |
0.654 |
0 |
0 |
0 |
0.000 |
| 47 |
57 |
|
[PO4]A:508 |
1 |
1 |
189 |
f |
[PO4]A:506 |
x,y,z |
1_555 |
1 |
1 |
189 |
3.7 |
-0.4 |
0.800 |
0 |
0 |
0 |
0.004 |
|