| ## |
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 |
|
B |
399 |
108 |
32870 |
◊ |
A |
x,y,z |
1_555 |
400 |
110 |
32864 |
3966.2 |
-34.6 |
0.020 |
34 |
17 |
0 |
0.935 |
| 2 |
2 |
|
A |
173 |
51 |
32864 |
◊ |
B |
-y,x-y-1,z |
2_545 |
171 |
49 |
32870 |
1506.5 |
0.5 |
0.786 |
20 |
1 |
0 |
0.000 |
| 3 |
3 |
|
A |
56 |
16 |
32864 |
◊ |
A |
-x,-x+y,-z+1 |
6_556 |
53 |
16 |
32864 |
509.3 |
-0.6 |
0.614 |
8 |
6 |
0 |
0.000 |
| 4 |
4 |
|
B |
55 |
18 |
32870 |
◊ |
A |
-y-1,x-y-1,z |
2_445 |
43 |
12 |
32864 |
438.6 |
0.4 |
0.679 |
2 |
1 |
0 |
0.000 |
| 5 |
5 |
|
B |
28 |
9 |
32870 |
◊ |
B |
-x,-x+y,-z |
6_555 |
29 |
9 |
32870 |
277.3 |
1.4 |
0.796 |
8 |
0 |
0 |
0.000 |
| 6 |
6 |
|
A |
22 |
7 |
32864 |
x |
A |
-y-1,x-y-1,z |
2_445 |
22 |
9 |
32864 |
166.4 |
1.8 |
0.817 |
3 |
5 |
0 |
0.000 |
| 7 |
7 |
|
[EDO]B:1006 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
32870 |
116.2 |
3.1 |
0.401 |
1 |
0 |
0 |
0.000 |
8 |
|
[EDO]A:1011 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
32864 |
114.4 |
3.0 |
0.378 |
2 |
0 |
0 |
0.000 |
| Average: |
115.3 |
3.0 |
0.389 |
2 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[EDO]A:1015 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
32864 |
113.6 |
3.9 |
0.471 |
5 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[EDO]A:1012 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
32864 |
106.7 |
3.9 |
0.596 |
2 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[EDO]B:1009 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
32870 |
105.2 |
3.4 |
0.428 |
3 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[EDO]B:1008 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
32870 |
102.5 |
3.0 |
0.310 |
3 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[BCT]B:1003 |
4 |
1 |
162 |
◊ |
B |
x,y,z |
1_555 |
18 |
9 |
32870 |
98.8 |
0.5 |
0.539 |
1 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[BCT]A:1005 |
4 |
1 |
163 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
32864 |
98.2 |
0.5 |
0.536 |
1 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[EDO]A:1010 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
32864 |
96.7 |
2.6 |
0.354 |
0 |
0 |
0 |
0.000 |
16 |
|
[EDO]B:1007 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
32870 |
96.1 |
2.6 |
0.365 |
0 |
0 |
0 |
0.000 |
| Average: |
96.4 |
2.6 |
0.359 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[PO4]A:1009 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
32864 |
90.9 |
-5.5 |
0.751 |
2 |
0 |
0 |
0.281 |
| 16 |
18 |
|
[BCT]A:1007 |
4 |
1 |
161 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
32864 |
89.7 |
1.0 |
0.595 |
2 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[EDO]A:1013 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
32864 |
88.9 |
1.3 |
0.202 |
2 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[EDO]A:1014 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
32864 |
85.4 |
2.5 |
0.294 |
3 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[EDO]A:1017 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
32864 |
83.4 |
2.9 |
0.533 |
2 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[PO4]B:1005 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
32870 |
82.4 |
-5.1 |
0.712 |
0 |
0 |
0 |
0.325 |
| 21 |
23 |
|
[PO4]B:1004 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
32870 |
78.6 |
-5.0 |
0.728 |
4 |
0 |
0 |
0.428 |
| 22 |
24 |
|
[PO4]A:1008 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
32864 |
77.0 |
-5.0 |
0.706 |
4 |
0 |
0 |
0.300 |
| 23 |
25 |
|
[EDO]A:1017 |
4 |
1 |
184 |
◊ |
A |
-x,-x+y,-z+1 |
6_556 |
14 |
4 |
32864 |
71.9 |
1.6 |
0.735 |
3 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[EDO]B:1010 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
32870 |
71.3 |
1.3 |
0.531 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[EDO]A:1016 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
32864 |
71.1 |
1.5 |
0.231 |
2 |
0 |
0 |
0.000 |
| 26 |
28 |
|
[BCT]A:1006 |
4 |
1 |
161 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
32864 |
63.1 |
-0.1 |
0.364 |
2 |
0 |
0 |
0.044 |
| 27 |
29 |
|
[BCT]A:1006 |
4 |
1 |
161 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
32870 |
62.7 |
0.0 |
0.370 |
0 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[EDO]A:1016 |
4 |
1 |
183 |
◊ |
A |
-x,-x+y,-z+1 |
6_556 |
6 |
3 |
32864 |
57.2 |
1.6 |
0.840 |
0 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[EDO]A:1014 |
3 |
1 |
184 |
◊ |
A |
-x,-x+y,-z+1 |
6_556 |
4 |
2 |
32864 |
46.4 |
1.2 |
0.248 |
1 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[PO4]A:1009 |
4 |
1 |
189 |
◊ |
B |
-y,x-y-1,z |
2_545 |
3 |
1 |
32870 |
32.7 |
-1.0 |
0.935 |
0 |
0 |
0 |
0.000 |
| 31 |
33 |
|
A |
3 |
1 |
32864 |
◊ |
[PO4]B:1005 |
-y,x-y-1,z |
2_545 |
4 |
1 |
188 |
31.7 |
-1.0 |
0.924 |
1 |
0 |
0 |
0.000 |
| 32 |
34 |
|
[EDO]A:1013 |
1 |
1 |
185 |
◊ |
A |
-x,-x+y,-z+1 |
6_556 |
3 |
1 |
32864 |
25.0 |
1.0 |
0.613 |
0 |
0 |
0 |
0.000 |
| 33 |
35 |
|
[EDO]A:1016 |
2 |
1 |
183 |
f |
[EDO]A:1013 |
x,y,z |
1_555 |
2 |
1 |
185 |
24.8 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[EDO]A:1016 |
3 |
1 |
183 |
◊ |
[EDO]A:1014 |
-x,-x+y,-z+1 |
6_556 |
3 |
1 |
184 |
16.0 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
| 35 |
37 |
|
[EDO]A:1017 |
1 |
1 |
184 |
f |
[EDO]A:1014 |
-x,-x+y,-z+1 |
6_556 |
1 |
1 |
184 |
5.2 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[BCT]A:1005 |
1 |
1 |
163 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
32870 |
3.7 |
0.1 |
0.442 |
0 |
0 |
0 |
0.000 |
| 37 |
39 |
|
[BCT]B:1003 |
1 |
1 |
162 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
32864 |
1.5 |
0.0 |
0.432 |
0 |
0 |
0 |
0.000 |
|