| ## |
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 |
|
K |
172 |
50 |
11453 |
◊ |
O |
x,y,z |
1_555 |
177 |
53 |
11361 |
1642.9 |
-22.5 |
0.064 |
15 |
2 |
0 |
0.813 |
2 |
|
I |
168 |
48 |
11637 |
◊ |
M |
x,y,z |
1_555 |
178 |
56 |
11259 |
1599.7 |
-21.5 |
0.072 |
14 |
1 |
0 |
0.813 |
3 |
|
J |
166 |
48 |
11512 |
◊ |
N |
x,y,z |
1_555 |
180 |
58 |
11294 |
1595.7 |
-21.6 |
0.079 |
15 |
1 |
0 |
0.813 |
4 |
|
H |
174 |
51 |
11613 |
◊ |
L |
x,y,z |
1_555 |
177 |
55 |
11260 |
1551.5 |
-21.1 |
0.078 |
16 |
1 |
0 |
0.813 |
| Average: |
1597.4 |
-21.7 |
0.073 |
15 |
1 |
0 |
0.813 |
| 2 |
5 |
|
N |
104 |
30 |
11294 |
◊ |
L |
x,y,z |
1_555 |
121 |
33 |
11260 |
980.8 |
-7.0 |
0.369 |
9 |
3 |
0 |
0.332 |
6 |
|
O |
110 |
32 |
11361 |
◊ |
M |
x,y,z |
1_555 |
101 |
31 |
11259 |
934.0 |
-5.6 |
0.463 |
11 |
1 |
0 |
0.332 |
| Average: |
957.4 |
-6.3 |
0.416 |
10 |
2 |
0 |
0.332 |
| 3 |
7 |
|
H |
93 |
28 |
11613 |
◊ |
J |
x,y-1,z |
1_545 |
97 |
28 |
11512 |
809.8 |
-5.6 |
0.632 |
11 |
3 |
0 |
0.000 |
8 |
|
I |
94 |
28 |
11637 |
◊ |
K |
x,y-1,z |
1_545 |
89 |
29 |
11453 |
794.4 |
-4.9 |
0.644 |
10 |
2 |
0 |
0.000 |
| Average: |
802.1 |
-5.2 |
0.638 |
11 |
3 |
0 |
0.000 |
| 4 |
9 |
|
N |
67 |
23 |
11294 |
◊ |
O |
x-1,y,z-1 |
1_454 |
65 |
22 |
11361 |
655.0 |
-0.8 |
0.685 |
6 |
1 |
0 |
0.000 |
10 |
|
L |
66 |
24 |
11260 |
◊ |
M |
x-1,y,z |
1_455 |
64 |
24 |
11259 |
648.6 |
-1.8 |
0.592 |
8 |
2 |
0 |
0.000 |
| Average: |
651.8 |
-1.3 |
0.638 |
7 |
2 |
0 |
0.000 |
| 5 |
11 |
|
K |
50 |
17 |
11453 |
◊ |
I |
x,y,z |
1_555 |
49 |
15 |
11637 |
437.1 |
-2.2 |
0.646 |
4 |
2 |
0 |
0.049 |
12 |
|
J |
50 |
16 |
11512 |
◊ |
H |
x,y,z |
1_555 |
50 |
17 |
11613 |
435.9 |
-1.2 |
0.744 |
4 |
3 |
0 |
0.049 |
| Average: |
436.5 |
-1.7 |
0.695 |
4 |
3 |
0 |
0.049 |
| 6 |
13 |
|
H |
33 |
13 |
11613 |
◊ |
M |
x,y,z |
1_555 |
40 |
11 |
11259 |
353.7 |
-0.4 |
0.669 |
6 |
1 |
0 |
0.000 |
| 7 |
14 |
|
S |
27 |
6 |
859 |
◊ |
O |
x,y,z |
1_555 |
29 |
9 |
11361 |
266.3 |
-2.4 |
0.416 |
3 |
0 |
0 |
0.465 |
15 |
|
P |
28 |
6 |
851 |
◊ |
L |
x,y,z |
1_555 |
29 |
9 |
11260 |
262.7 |
-3.4 |
0.351 |
6 |
0 |
0 |
0.465 |
16 |
|
Q |
25 |
6 |
846 |
◊ |
M |
x,y,z |
1_555 |
31 |
10 |
11259 |
260.0 |
-2.6 |
0.432 |
2 |
0 |
0 |
0.465 |
17 |
|
R |
25 |
6 |
831 |
◊ |
N |
x,y,z |
1_555 |
31 |
9 |
11294 |
254.2 |
-2.1 |
0.413 |
2 |
0 |
0 |
0.465 |
| Average: |
260.8 |
-2.6 |
0.403 |
3 |
0 |
0 |
0.465 |
| 8 |
18 |
|
N |
20 |
7 |
11294 |
◊ |
J |
x-1,y,z |
1_455 |
26 |
9 |
11512 |
222.0 |
-0.6 |
0.634 |
3 |
1 |
0 |
0.000 |
| 9 |
19 |
|
I |
27 |
8 |
11637 |
◊ |
M |
x-1,y,z |
1_455 |
28 |
10 |
11259 |
215.8 |
-1.3 |
0.471 |
2 |
0 |
0 |
0.000 |
| 10 |
20 |
|
S |
17 |
4 |
859 |
◊ |
K |
x,y,z |
1_555 |
34 |
8 |
11453 |
203.4 |
-3.6 |
0.269 |
1 |
0 |
0 |
0.105 |
21 |
|
R |
19 |
4 |
831 |
◊ |
J |
x,y,z |
1_555 |
34 |
8 |
11512 |
200.1 |
-3.4 |
0.281 |
3 |
0 |
0 |
0.105 |
22 |
|
P |
21 |
4 |
851 |
◊ |
H |
x,y,z |
1_555 |
34 |
8 |
11613 |
199.0 |
-3.3 |
0.353 |
3 |
0 |
0 |
0.105 |
23 |
|
Q |
21 |
4 |
846 |
◊ |
I |
x,y,z |
1_555 |
33 |
8 |
11637 |
198.2 |
-3.2 |
0.359 |
3 |
0 |
0 |
0.105 |
| Average: |
200.2 |
-3.4 |
0.315 |
3 |
0 |
0 |
0.105 |
| 11 |
24 |
|
L |
22 |
8 |
11260 |
◊ |
H |
x-1,y,z |
1_455 |
19 |
8 |
11613 |
188.4 |
1.8 |
0.852 |
3 |
0 |
0 |
0.000 |
| 12 |
25 |
|
M |
18 |
8 |
11259 |
◊ |
K |
x,y-1,z |
1_545 |
20 |
8 |
11453 |
178.8 |
0.5 |
0.736 |
2 |
1 |
0 |
0.000 |
26 |
|
L |
19 |
8 |
11260 |
◊ |
J |
x,y-1,z |
1_545 |
17 |
7 |
11512 |
173.1 |
0.3 |
0.688 |
2 |
1 |
0 |
0.000 |
27 |
|
H |
22 |
9 |
11613 |
◊ |
N |
x,y-1,z |
1_545 |
20 |
8 |
11294 |
172.4 |
0.5 |
0.748 |
2 |
1 |
0 |
0.000 |
28 |
|
I |
20 |
9 |
11637 |
◊ |
O |
x,y-1,z |
1_545 |
18 |
8 |
11361 |
170.6 |
0.5 |
0.739 |
3 |
1 |
0 |
0.000 |
| Average: |
173.7 |
0.4 |
0.728 |
2 |
1 |
0 |
0.000 |
| 13 |
29 |
|
N |
20 |
7 |
11294 |
◊ |
O |
x,y,z-1 |
1_554 |
16 |
5 |
11361 |
160.7 |
-1.9 |
0.343 |
4 |
0 |
0 |
0.000 |
| 14 |
30 |
|
I |
15 |
7 |
11637 |
◊ |
L |
x,y,z |
1_555 |
13 |
5 |
11260 |
146.6 |
1.1 |
0.805 |
3 |
0 |
0 |
0.000 |
| 15 |
31 |
|
H |
15 |
5 |
11613 |
◊ |
N |
x,y,z |
1_555 |
17 |
4 |
11294 |
145.6 |
-0.1 |
0.592 |
1 |
0 |
0 |
0.023 |
32 |
|
K |
16 |
6 |
11453 |
◊ |
M |
x,y,z |
1_555 |
15 |
4 |
11259 |
138.4 |
-0.3 |
0.578 |
1 |
0 |
0 |
0.023 |
33 |
|
I |
15 |
5 |
11637 |
◊ |
O |
x,y,z |
1_555 |
15 |
4 |
11361 |
138.1 |
-0.4 |
0.550 |
1 |
0 |
0 |
0.023 |
34 |
|
J |
15 |
6 |
11512 |
◊ |
L |
x,y,z |
1_555 |
16 |
4 |
11260 |
136.5 |
-0.6 |
0.541 |
2 |
0 |
0 |
0.023 |
| Average: |
139.6 |
-0.4 |
0.565 |
1 |
0 |
0 |
0.023 |
| 16 |
35 |
|
M |
10 |
4 |
11259 |
◊ |
L |
x,y,z |
1_555 |
14 |
4 |
11260 |
90.8 |
-0.9 |
0.461 |
2 |
0 |
0 |
0.000 |
| 17 |
36 |
|
[PO4]L:301 |
4 |
1 |
190 |
f |
L |
x,y,z |
1_555 |
11 |
4 |
11260 |
67.6 |
-4.0 |
0.736 |
3 |
0 |
0 |
0.410 |
| 18 |
37 |
|
[PO4]M:301 |
5 |
1 |
189 |
f |
M |
x,y,z |
1_555 |
7 |
4 |
11259 |
64.8 |
-3.0 |
0.889 |
2 |
0 |
0 |
0.113 |
| 19 |
38 |
|
[PO4]S:501 |
4 |
1 |
189 |
f |
O |
x,y,z |
1_555 |
7 |
4 |
11361 |
64.6 |
-3.3 |
0.869 |
3 |
0 |
0 |
0.405 |
| 20 |
39 |
|
[PO4]R:501 |
5 |
1 |
189 |
f |
N |
x,y,z |
1_555 |
8 |
4 |
11294 |
61.6 |
-2.6 |
0.908 |
3 |
0 |
0 |
0.395 |
| 21 |
40 |
|
K |
8 |
4 |
11453 |
◊ |
O |
x-1,y,z |
1_455 |
8 |
4 |
11361 |
59.8 |
-0.1 |
0.595 |
0 |
0 |
0 |
0.000 |
| 22 |
41 |
|
J |
9 |
5 |
11512 |
◊ |
K |
x-1,y,z-1 |
1_454 |
6 |
2 |
11453 |
57.7 |
-0.2 |
0.624 |
0 |
0 |
0 |
0.000 |
42 |
|
H |
5 |
2 |
11613 |
◊ |
I |
x-1,y,z |
1_455 |
8 |
4 |
11637 |
55.8 |
0.4 |
0.755 |
0 |
0 |
0 |
0.000 |
| Average: |
56.8 |
0.1 |
0.690 |
0 |
0 |
0 |
0.000 |
| 23 |
43 |
|
[PO4]R:501 |
4 |
1 |
189 |
◊ |
R |
x,y,z |
1_555 |
7 |
2 |
831 |
57.4 |
-2.9 |
0.822 |
2 |
0 |
0 |
0.371 |
| 24 |
44 |
|
N |
6 |
2 |
11294 |
◊ |
K |
x,y,z-1 |
1_554 |
4 |
3 |
11453 |
56.3 |
1.7 |
0.872 |
2 |
0 |
0 |
0.000 |
| 25 |
45 |
|
[PO4]S:501 |
4 |
1 |
189 |
◊ |
S |
x,y,z |
1_555 |
6 |
3 |
859 |
51.4 |
-2.3 |
0.852 |
2 |
0 |
0 |
0.281 |
| 26 |
46 |
|
[NH2]P:409 |
1 |
1 |
117 |
cf |
P |
x,y,z |
1_555 |
7 |
4 |
851 |
47.6 |
0.6 |
0.741 |
0 |
0 |
0 |
0.000 |
47 |
|
[NH2]Q:409 |
1 |
1 |
117 |
cf |
Q |
x,y,z |
1_555 |
7 |
5 |
846 |
47.2 |
0.8 |
0.792 |
0 |
0 |
0 |
0.000 |
48 |
|
[NH2]R:409 |
1 |
1 |
117 |
cf |
R |
x,y,z |
1_555 |
6 |
4 |
831 |
45.5 |
0.6 |
0.733 |
0 |
0 |
0 |
0.000 |
49 |
|
[NH2]S:409 |
1 |
1 |
117 |
cf |
S |
x,y,z |
1_555 |
6 |
1 |
859 |
37.6 |
0.2 |
0.667 |
0 |
0 |
0 |
0.000 |
| Average: |
44.5 |
0.5 |
0.733 |
0 |
0 |
0 |
0.000 |
| 27 |
50 |
|
[NH2]S:409 |
1 |
1 |
117 |
◊ |
K |
x,y,z |
1_555 |
11 |
4 |
11453 |
45.4 |
0.4 |
0.670 |
0 |
0 |
0 |
0.000 |
51 |
|
[NH2]R:409 |
1 |
1 |
117 |
◊ |
J |
x,y,z |
1_555 |
8 |
3 |
11512 |
38.6 |
0.6 |
0.848 |
0 |
0 |
0 |
0.000 |
52 |
|
[NH2]P:409 |
1 |
1 |
117 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
11613 |
38.1 |
0.6 |
0.848 |
0 |
0 |
0 |
0.000 |
53 |
|
[NH2]Q:409 |
1 |
1 |
117 |
◊ |
I |
x,y,z |
1_555 |
8 |
3 |
11637 |
36.1 |
0.5 |
0.830 |
0 |
0 |
0 |
0.000 |
| Average: |
39.6 |
0.5 |
0.799 |
0 |
0 |
0 |
0.000 |
| 28 |
54 |
|
[PO4]S:501 |
4 |
1 |
189 |
◊ |
K |
x,y,z |
1_555 |
6 |
2 |
11453 |
42.5 |
-2.6 |
0.627 |
0 |
0 |
0 |
0.071 |
| 29 |
55 |
|
[PO4]R:501 |
4 |
1 |
189 |
◊ |
J |
x,y,z |
1_555 |
7 |
2 |
11512 |
41.9 |
-2.7 |
0.615 |
0 |
0 |
0 |
0.076 |
| 30 |
56 |
|
[PO4]M:301 |
3 |
1 |
189 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
11637 |
38.8 |
-2.5 |
0.579 |
0 |
0 |
0 |
0.074 |
| 31 |
57 |
|
[PO4]L:301 |
4 |
1 |
190 |
◊ |
P |
x,y,z |
1_555 |
6 |
3 |
851 |
38.7 |
-1.8 |
0.850 |
1 |
0 |
0 |
0.170 |
| 32 |
58 |
|
[PO4]M:301 |
3 |
1 |
189 |
◊ |
Q |
x,y,z |
1_555 |
5 |
2 |
846 |
35.3 |
-2.2 |
0.707 |
0 |
0 |
0 |
0.052 |
| 33 |
59 |
|
[PO4]L:301 |
4 |
1 |
190 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
11613 |
34.1 |
-2.4 |
0.644 |
0 |
0 |
0 |
0.066 |
| 34 |
60 |
|
N |
1 |
1 |
11294 |
◊ |
H |
x-1,y,z |
1_455 |
2 |
1 |
11613 |
7.2 |
0.5 |
0.859 |
0 |
0 |
0 |
0.000 |
| 35 |
61 |
|
H |
1 |
1 |
11613 |
◊ |
M |
x-1,y,z |
1_455 |
1 |
1 |
11259 |
5.5 |
0.3 |
0.821 |
0 |
0 |
0 |
0.000 |
62 |
|
L |
1 |
1 |
11260 |
◊ |
I |
x-1,y,z |
1_455 |
1 |
1 |
11637 |
2.2 |
0.1 |
0.605 |
0 |
0 |
0 |
0.000 |
| Average: |
3.8 |
0.2 |
0.713 |
0 |
0 |
0 |
0.000 |
| 36 |
63 |
|
J |
2 |
1 |
11512 |
◊ |
O |
x,y,z-1 |
1_554 |
1 |
1 |
11361 |
5.2 |
-0.1 |
0.415 |
0 |
0 |
0 |
0.000 |
|