| ## |
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 |
|
A |
78 |
25 |
25486 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
88 |
24 |
25486 |
764.5 |
2.1 |
0.709 |
11 |
3 |
0 |
0.000 |
| 2 |
2 |
|
A |
36 |
9 |
25486 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
24 |
8 |
25486 |
268.0 |
0.7 |
0.633 |
7 |
7 |
0 |
0.000 |
| 3 |
3 |
|
A |
27 |
11 |
25486 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
10 |
25486 |
203.4 |
0.1 |
0.516 |
3 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[BGC]A:805 |
11 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
30 |
12 |
25486 |
165.9 |
2.8 |
0.389 |
5 |
0 |
0 |
0.000 |
| 5 |
5 |
|
A |
17 |
7 |
25486 |
x |
A |
x-1,y,z |
1_455 |
19 |
7 |
25486 |
165.4 |
0.5 |
0.641 |
5 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[BGC]A:804 |
12 |
1 |
299 |
f |
A |
x,y,z |
1_555 |
33 |
11 |
25486 |
149.9 |
1.1 |
0.285 |
4 |
0 |
0 |
0.002 |
| 7 |
7 |
|
[BGC]A:803 |
10 |
1 |
283 |
f |
A |
x,y,z |
1_555 |
37 |
11 |
25486 |
135.5 |
3.3 |
0.510 |
4 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[BGC]A:802 |
10 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
24 |
7 |
25486 |
120.7 |
1.8 |
0.277 |
1 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[BGC]A:806 |
10 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
25486 |
120.3 |
2.5 |
0.339 |
2 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[EDO]A:813 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
25486 |
115.5 |
4.0 |
0.571 |
3 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[EDO]A:816 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
25486 |
113.8 |
2.4 |
0.228 |
2 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[PO4]A:824 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
25486 |
112.0 |
-8.8 |
0.460 |
3 |
0 |
0 |
0.026 |
| 13 |
13 |
|
[BGC]A:809 |
9 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
25486 |
110.4 |
1.2 |
0.262 |
3 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[BGC]A:808 |
9 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
25486 |
110.0 |
1.4 |
0.213 |
3 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[PO4]A:826 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
25486 |
108.4 |
-6.8 |
0.702 |
3 |
0 |
0 |
0.021 |
| 16 |
16 |
|
[PO4]A:829 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
25486 |
107.0 |
-6.1 |
0.727 |
2 |
0 |
0 |
0.018 |
| 17 |
17 |
|
[EDO]A:814 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
25486 |
105.0 |
4.0 |
0.494 |
2 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[BGC]A:810 |
9 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
25486 |
104.1 |
1.6 |
0.329 |
5 |
0 |
0 |
0.002 |
| 19 |
19 |
|
[EDO]A:821 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
25486 |
103.0 |
3.5 |
0.490 |
6 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[EDO]A:812 |
4 |
1 |
184 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
16 |
7 |
25486 |
101.2 |
3.1 |
0.433 |
1 |
0 |
0 |
0.000 |
| 21 |
21 |
|
[PO4]A:831 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
25486 |
100.7 |
-6.3 |
0.749 |
2 |
0 |
0 |
0.019 |
| 22 |
22 |
|
[EDO]A:822 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
25486 |
98.1 |
3.1 |
0.341 |
1 |
0 |
0 |
0.000 |
| 23 |
23 |
|
[EDO]A:815 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
25486 |
97.3 |
3.4 |
0.471 |
1 |
0 |
0 |
0.000 |
| 24 |
24 |
|
[PO4]A:827 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
25486 |
95.7 |
-5.4 |
0.870 |
3 |
0 |
0 |
0.017 |
| 25 |
25 |
|
[PO4]A:825 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
25486 |
93.7 |
-5.2 |
0.874 |
2 |
0 |
0 |
0.016 |
| 26 |
26 |
|
[PO4]A:830 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
25486 |
93.1 |
-7.1 |
0.394 |
4 |
0 |
0 |
0.023 |
| 27 |
27 |
|
[BGC]A:807 |
6 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
25486 |
91.9 |
1.3 |
0.360 |
2 |
0 |
0 |
0.000 |
| 28 |
28 |
|
[EDO]A:818 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
25486 |
87.3 |
2.4 |
0.298 |
5 |
0 |
0 |
0.000 |
| 29 |
29 |
|
A |
15 |
4 |
25486 |
◊ |
[BGC]A:811 |
-x+1,y-1/2,-z+1/2 |
3_645 |
10 |
1 |
296 |
86.8 |
0.7 |
0.133 |
0 |
0 |
0 |
0.000 |
| 30 |
30 |
|
[EDO]A:823 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
25486 |
83.4 |
2.4 |
0.240 |
1 |
0 |
0 |
0.000 |
| 31 |
31 |
|
[PO4]A:832 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
25486 |
80.6 |
-4.2 |
0.846 |
2 |
0 |
0 |
0.013 |
| 32 |
32 |
|
[EDO]A:819 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
25486 |
71.4 |
1.9 |
0.891 |
4 |
0 |
0 |
0.000 |
| 33 |
33 |
|
[EDO]A:817 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
25486 |
70.9 |
1.5 |
0.791 |
2 |
0 |
0 |
0.000 |
| 34 |
34 |
|
[EDO]A:820 |
4 |
1 |
185 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
10 |
3 |
25486 |
69.4 |
3.6 |
0.350 |
1 |
0 |
0 |
0.000 |
| 35 |
35 |
|
A |
10 |
3 |
25486 |
◊ |
[BGC]A:810 |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
1 |
295 |
69.2 |
0.5 |
0.206 |
0 |
0 |
0 |
0.000 |
| 36 |
36 |
|
[BGC]A:811 |
7 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
25486 |
65.6 |
1.4 |
0.282 |
1 |
0 |
0 |
0.000 |
| 37 |
37 |
|
[BGC]A:808 |
7 |
1 |
293 |
cf |
[BGC]A:807 |
x,y,z |
1_555 |
5 |
1 |
307 |
64.4 |
1.2 |
0.132 |
1 |
0 |
0 |
0.000 |
| 38 |
38 |
|
[PO4]A:833 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
25486 |
63.8 |
-4.0 |
0.629 |
1 |
0 |
0 |
0.012 |
| 39 |
39 |
|
A |
12 |
5 |
25486 |
◊ |
[EDO]A:818 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
184 |
61.5 |
1.6 |
0.189 |
0 |
0 |
0 |
0.000 |
| 40 |
40 |
|
[BGC]A:809 |
6 |
1 |
296 |
cf |
[BGC]A:808 |
x,y,z |
1_555 |
5 |
1 |
293 |
60.6 |
1.1 |
0.148 |
1 |
0 |
0 |
0.000 |
| 41 |
41 |
|
[PO4]A:828 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
25486 |
58.7 |
-3.1 |
0.749 |
1 |
0 |
0 |
0.009 |
| 42 |
42 |
|
[EDO]A:820 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
25486 |
57.9 |
1.4 |
0.837 |
4 |
0 |
0 |
0.001 |
| 43 |
43 |
|
[BGC]A:802 |
6 |
1 |
295 |
cf |
[BGC]A:801 |
x,y,z |
1_555 |
4 |
1 |
304 |
54.8 |
1.4 |
0.174 |
0 |
0 |
0 |
0.000 |
| 44 |
44 |
|
[BGC]A:806 |
5 |
1 |
293 |
cf |
[BGC]A:805 |
x,y,z |
1_555 |
5 |
1 |
293 |
54.1 |
1.6 |
0.209 |
0 |
0 |
0 |
0.000 |
| 45 |
45 |
|
[BGC]A:811 |
6 |
1 |
296 |
cf |
[BGC]A:810 |
x,y,z |
1_555 |
6 |
1 |
295 |
53.7 |
1.3 |
0.135 |
0 |
0 |
0 |
0.000 |
| 46 |
46 |
|
[BGC]A:803 |
7 |
1 |
283 |
cf |
[BGC]A:802 |
x,y,z |
1_555 |
5 |
1 |
295 |
50.6 |
0.9 |
0.116 |
1 |
0 |
0 |
0.000 |
47 |
|
[BGC]A:810 |
6 |
1 |
295 |
cf |
[BGC]A:809 |
x,y,z |
1_555 |
5 |
1 |
296 |
49.9 |
1.0 |
0.143 |
0 |
0 |
0 |
0.000 |
| Average: |
50.3 |
1.0 |
0.130 |
1 |
0 |
0 |
0.000 |
| 47 |
48 |
|
[PO4]A:831 |
4 |
1 |
190 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
2 |
25486 |
46.3 |
-2.2 |
0.790 |
0 |
0 |
0 |
0.000 |
| 48 |
49 |
|
[BGC]A:804 |
7 |
1 |
299 |
cf |
[BGC]A:803 |
x,y,z |
1_555 |
5 |
1 |
283 |
43.1 |
1.3 |
0.210 |
0 |
0 |
0 |
0.000 |
| 49 |
50 |
|
[EDO]A:812 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
25486 |
42.9 |
0.6 |
0.145 |
0 |
0 |
0 |
0.000 |
| 50 |
51 |
|
[BGC]A:805 |
7 |
1 |
293 |
cf |
[BGC]A:804 |
x,y,z |
1_555 |
6 |
1 |
299 |
41.8 |
1.4 |
0.190 |
0 |
0 |
0 |
0.000 |
| 51 |
52 |
|
[EDO]A:820 |
3 |
1 |
185 |
◊ |
[PO4]A:827 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
189 |
38.5 |
-0.7 |
0.986 |
0 |
0 |
0 |
0.000 |
| 52 |
53 |
|
[PO4]A:833 |
3 |
1 |
189 |
f |
[BGC]A:802 |
x,y,z |
1_555 |
3 |
1 |
295 |
33.5 |
-1.5 |
0.525 |
0 |
0 |
0 |
0.004 |
| 53 |
54 |
|
[PO4]A:833 |
4 |
1 |
189 |
f |
[BGC]A:803 |
x,y,z |
1_555 |
3 |
1 |
283 |
27.9 |
-1.1 |
0.497 |
0 |
0 |
0 |
0.003 |
| 54 |
55 |
|
[BGC]A:809 |
3 |
1 |
296 |
f |
[BGC]A:801 |
x,y,z |
1_555 |
3 |
1 |
304 |
26.0 |
0.7 |
0.307 |
0 |
0 |
0 |
0.000 |
| 55 |
56 |
|
A |
4 |
2 |
25486 |
◊ |
[BGC]A:801 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
304 |
24.7 |
0.2 |
0.317 |
0 |
0 |
0 |
0.000 |
| 56 |
57 |
|
[PO4]A:826 |
4 |
1 |
187 |
f |
[EDO]A:819 |
x,y,z |
1_555 |
2 |
1 |
183 |
19.2 |
-0.4 |
0.999 |
0 |
0 |
0 |
0.001 |
| 57 |
58 |
|
[BGC]A:810 |
2 |
1 |
295 |
f |
[BGC]A:801 |
x,y,z |
1_555 |
3 |
1 |
304 |
16.6 |
0.5 |
0.254 |
0 |
0 |
0 |
0.000 |
| 58 |
59 |
|
[BGC]A:801 |
3 |
1 |
304 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
25486 |
15.8 |
0.1 |
0.241 |
0 |
0 |
0 |
0.000 |
| 59 |
60 |
|
A |
4 |
1 |
25486 |
◊ |
[PO4]A:827 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
189 |
15.7 |
-1.1 |
0.559 |
0 |
0 |
0 |
0.000 |
| 60 |
61 |
|
[PO4]A:829 |
3 |
1 |
190 |
f |
[PO4]A:824 |
x,y,z |
1_555 |
3 |
1 |
187 |
14.8 |
-1.4 |
0.992 |
0 |
0 |
0 |
0.004 |
| 61 |
62 |
|
[BGC]A:808 |
2 |
1 |
293 |
f |
[BGC]A:801 |
x,y,z |
1_555 |
2 |
1 |
304 |
12.4 |
0.4 |
0.271 |
0 |
0 |
0 |
0.000 |
| 62 |
63 |
|
A |
1 |
1 |
25486 |
◊ |
[BGC]A:809 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
296 |
12.1 |
0.3 |
0.433 |
0 |
0 |
0 |
0.000 |
| 63 |
64 |
|
[PO4]A:833 |
2 |
1 |
189 |
f |
[BGC]A:801 |
x,y,z |
1_555 |
1 |
1 |
304 |
10.1 |
-0.4 |
0.400 |
0 |
0 |
0 |
0.001 |
| 64 |
65 |
|
[PO4]A:833 |
1 |
1 |
189 |
f |
[BGC]A:806 |
x,y,z |
1_555 |
1 |
1 |
293 |
9.4 |
-0.4 |
0.381 |
0 |
0 |
0 |
0.000 |
| 65 |
66 |
|
[PO4]A:833 |
1 |
1 |
189 |
f |
[BGC]A:805 |
x,y,z |
1_555 |
1 |
1 |
293 |
9.3 |
-0.5 |
0.381 |
0 |
0 |
0 |
0.001 |
| 66 |
67 |
|
A |
3 |
1 |
25486 |
◊ |
[BGC]A:807 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
307 |
7.0 |
0.1 |
0.300 |
0 |
0 |
0 |
0.000 |
| 67 |
68 |
|
[PO4]A:833 |
3 |
1 |
189 |
f |
[BGC]A:804 |
x,y,z |
1_555 |
3 |
1 |
299 |
6.5 |
-0.2 |
0.548 |
0 |
0 |
0 |
0.000 |
| 68 |
69 |
|
[BGC]A:804 |
1 |
1 |
299 |
f |
[BGC]A:802 |
x,y,z |
1_555 |
1 |
1 |
295 |
5.7 |
0.1 |
0.174 |
0 |
0 |
0 |
0.000 |
| 69 |
70 |
|
[PO4]A:831 |
1 |
1 |
190 |
◊ |
[BGC]A:811 |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
296 |
5.5 |
-0.2 |
0.460 |
0 |
0 |
0 |
0.000 |
| 70 |
71 |
|
[EDO]A:816 |
2 |
1 |
187 |
f |
[EDO]A:815 |
x,y,z |
1_555 |
2 |
1 |
185 |
4.9 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 71 |
72 |
|
[EDO]A:822 |
1 |
1 |
183 |
f |
[EDO]A:821 |
x,y,z |
1_555 |
1 |
1 |
186 |
4.5 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 72 |
73 |
|
[BGC]A:809 |
1 |
1 |
296 |
f |
[BGC]A:802 |
x,y,z |
1_555 |
1 |
1 |
295 |
3.3 |
0.2 |
0.182 |
0 |
0 |
0 |
0.000 |
| 73 |
74 |
|
[BGC]A:806 |
2 |
1 |
293 |
f |
[BGC]A:804 |
x,y,z |
1_555 |
1 |
1 |
299 |
2.1 |
0.1 |
0.210 |
0 |
0 |
0 |
0.000 |
| 74 |
75 |
|
[BGC]A:810 |
1 |
1 |
295 |
f |
[BGC]A:808 |
x,y,z |
1_555 |
1 |
1 |
293 |
1.3 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
| 75 |
76 |
|
[BGC]A:811 |
1 |
1 |
296 |
f |
[BGC]A:809 |
x,y,z |
1_555 |
1 |
1 |
296 |
1.1 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
| 76 |
77 |
|
[BGC]A:809 |
1 |
1 |
296 |
f |
[BGC]A:807 |
x,y,z |
1_555 |
1 |
1 |
307 |
0.5 |
0.0 |
0.174 |
0 |
0 |
0 |
0.000 |
| 77 |
78 |
|
[BGC]A:803 |
1 |
1 |
283 |
f |
[BGC]A:801 |
x,y,z |
1_555 |
1 |
1 |
304 |
0.5 |
0.0 |
0.183 |
0 |
0 |
0 |
0.000 |
| 78 |
79 |
|
[BGC]A:811 |
1 |
1 |
296 |
f |
[BGC]A:801 |
x,y,z |
1_555 |
1 |
1 |
304 |
0.3 |
0.0 |
0.174 |
0 |
0 |
0 |
0.000 |
|