| ## |
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 |
151 |
41 |
15415 |
◊ |
B |
x-y-1,-y-1,-z |
8_445 |
150 |
42 |
15236 |
1520.7 |
-26.2 |
0.036 |
6 |
0 |
0 |
0.097 |
| 2 |
2 |
|
B |
145 |
43 |
15236 |
◊ |
A |
x,y,z |
1_555 |
145 |
45 |
15415 |
1441.7 |
-21.1 |
0.110 |
4 |
1 |
0 |
0.000 |
| 3 |
3 |
|
[HEC]A:423 |
43 |
1 |
841 |
cf |
A |
x,y,z |
1_555 |
85 |
32 |
15415 |
609.3 |
-25.3 |
0.293 |
3 |
0 |
0 |
0.203 |
4 |
|
[HEC]B:423 |
43 |
1 |
833 |
cf |
B |
x,y,z |
1_555 |
81 |
32 |
15236 |
601.3 |
-25.0 |
0.264 |
4 |
0 |
0 |
0.203 |
| Average: |
605.3 |
-25.2 |
0.278 |
4 |
0 |
0 |
0.203 |
| 4 |
5 |
|
[HEC]A:424 |
43 |
1 |
842 |
cf |
A |
x,y,z |
1_555 |
84 |
34 |
15415 |
602.3 |
-25.1 |
0.245 |
4 |
0 |
0 |
0.205 |
6 |
|
[HEC]B:424 |
43 |
1 |
840 |
cf |
B |
x,y,z |
1_555 |
85 |
34 |
15236 |
599.7 |
-24.9 |
0.239 |
4 |
0 |
0 |
0.205 |
| Average: |
601.0 |
-25.0 |
0.242 |
4 |
0 |
0 |
0.205 |
| 5 |
7 |
|
A |
56 |
15 |
15415 |
◊ |
A |
-y-1,-x-1,-z+1/6 |
10_445 |
55 |
15 |
15415 |
531.7 |
0.3 |
0.851 |
6 |
2 |
0 |
0.000 |
| 6 |
8 |
|
B |
21 |
7 |
15236 |
◊ |
A |
x-y,x,z-1/6 |
6_554 |
11 |
2 |
15415 |
157.8 |
1.4 |
0.862 |
3 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[PO4]A:1350 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
15415 |
101.6 |
-6.0 |
0.862 |
3 |
0 |
0 |
0.056 |
| 8 |
10 |
|
B |
14 |
8 |
15236 |
◊ |
B |
x,x-y-1,-z-1/6 |
12_544 |
14 |
8 |
15236 |
99.8 |
-1.0 |
0.553 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[PO4]A:1351 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
15415 |
96.6 |
-5.5 |
0.853 |
3 |
0 |
0 |
0.052 |
| 10 |
12 |
|
[PO4]B:1355 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
15236 |
95.9 |
-5.2 |
0.865 |
2 |
0 |
0 |
0.021 |
| 11 |
13 |
|
[PO4]A:1354 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
15415 |
95.4 |
-5.0 |
0.902 |
5 |
0 |
0 |
0.055 |
| 12 |
14 |
|
[PO4]B:1356 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
15236 |
93.9 |
-5.3 |
0.866 |
2 |
0 |
0 |
0.021 |
| 13 |
15 |
|
A |
12 |
4 |
15415 |
◊ |
A |
y,x,-z-1/3 |
7_554 |
11 |
4 |
15415 |
93.9 |
-0.4 |
0.642 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[PO4]B:1352 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
15236 |
93.4 |
-5.0 |
0.919 |
4 |
0 |
0 |
0.023 |
| 15 |
17 |
|
[PO4]A:1353 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
15415 |
92.2 |
-6.0 |
0.784 |
3 |
0 |
0 |
0.056 |
| 16 |
18 |
|
[PO4]B:1353 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
15236 |
91.1 |
-5.4 |
0.818 |
3 |
0 |
0 |
0.023 |
| 17 |
19 |
|
B |
11 |
3 |
15236 |
◊ |
A |
-y-1,-x-1,-z+1/6 |
10_445 |
10 |
3 |
15415 |
86.5 |
-0.6 |
0.589 |
1 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[PO4]A:1357 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
15415 |
84.6 |
-4.3 |
0.910 |
3 |
0 |
0 |
0.043 |
| 19 |
21 |
|
[PO4]B:1351 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
15236 |
81.9 |
-5.6 |
0.631 |
2 |
0 |
0 |
0.022 |
| 20 |
22 |
|
[PO4]A:1349 |
5 |
1 |
191 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
15415 |
81.7 |
-5.0 |
0.741 |
2 |
0 |
0 |
0.045 |
| 21 |
23 |
|
[PO4]B:1357 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
15236 |
79.5 |
-4.7 |
0.749 |
2 |
0 |
0 |
0.019 |
| 22 |
24 |
|
[PO4]A:1362 |
5 |
1 |
189 |
f |
B |
x-y-1,-y-1,-z |
8_445 |
12 |
5 |
15236 |
73.8 |
-4.8 |
0.720 |
1 |
0 |
0 |
0.018 |
| 23 |
25 |
|
[PO4]A:1355 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15415 |
73.6 |
-4.9 |
0.690 |
1 |
0 |
0 |
0.041 |
| 24 |
26 |
|
[PO4]A:1348 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15415 |
73.4 |
-4.2 |
0.733 |
3 |
0 |
0 |
0.042 |
| 25 |
27 |
|
[PO4]B:1359 |
4 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
15236 |
71.9 |
-4.3 |
0.721 |
1 |
0 |
0 |
0.016 |
| 26 |
28 |
|
[PO4]B:1354 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
15236 |
71.6 |
-4.0 |
0.873 |
2 |
0 |
0 |
0.017 |
| 27 |
29 |
|
[PO4]B:1358 |
4 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
15236 |
71.2 |
-3.9 |
0.794 |
2 |
0 |
0 |
0.016 |
| 28 |
30 |
|
[PO4]A:1356 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
15415 |
70.7 |
-3.9 |
0.871 |
2 |
0 |
0 |
0.037 |
| 29 |
31 |
|
[ACT]B:1362 |
4 |
1 |
182 |
◊ |
A |
-y-1,-x-1,-z+1/6 |
10_445 |
9 |
4 |
15415 |
68.8 |
-0.6 |
0.669 |
0 |
0 |
0 |
0.005 |
| 30 |
32 |
|
[ACT]A:1360 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
15415 |
65.9 |
0.7 |
0.802 |
2 |
0 |
0 |
0.002 |
| 31 |
33 |
|
[PO4]B:1350 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
15236 |
64.6 |
-3.9 |
0.792 |
2 |
0 |
0 |
0.016 |
| 32 |
34 |
|
[ACT]B:1360 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
15236 |
64.4 |
0.2 |
0.756 |
1 |
0 |
0 |
0.000 |
| 33 |
35 |
|
[PO4]A:1352 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
15415 |
62.6 |
-3.7 |
0.805 |
2 |
0 |
0 |
0.035 |
| 34 |
36 |
|
[PO4]B:1349 |
4 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
15236 |
61.1 |
-3.9 |
0.782 |
2 |
0 |
0 |
0.016 |
| 35 |
37 |
|
[PO4]B:1348 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
15236 |
60.8 |
-3.2 |
0.837 |
2 |
0 |
0 |
0.014 |
| 36 |
38 |
|
[ACT]A:1359 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
15415 |
57.4 |
1.0 |
0.854 |
3 |
0 |
0 |
0.002 |
| 37 |
39 |
|
[ACT]A:1358 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
15415 |
54.5 |
-0.5 |
0.536 |
1 |
0 |
0 |
0.008 |
| 38 |
40 |
|
[PO4]B:1349 |
5 |
1 |
189 |
◊ |
A |
-y-1,-x-1,-z+1/6 |
10_445 |
8 |
4 |
15415 |
51.5 |
-2.6 |
0.804 |
0 |
0 |
0 |
0.000 |
| 39 |
41 |
|
[CA]B:425 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
15236 |
45.0 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.084 |
42 |
|
[CA]A:425 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
15415 |
44.6 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.084 |
| Average: |
44.8 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.084 |
| 40 |
43 |
|
[ACT]B:1361 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
15415 |
42.6 |
-0.8 |
0.530 |
0 |
0 |
0 |
0.006 |
| 41 |
44 |
|
[EOH]A:1361 |
3 |
1 |
171 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
15236 |
41.6 |
0.8 |
0.609 |
0 |
0 |
0 |
0.000 |
| 42 |
45 |
|
[EOH]A:1361 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
15415 |
41.2 |
1.3 |
0.928 |
0 |
0 |
0 |
0.000 |
| 43 |
46 |
|
[ACT]B:1361 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15236 |
31.8 |
-0.2 |
0.343 |
0 |
0 |
0 |
0.000 |
| 44 |
47 |
|
[HEC]B:424 |
2 |
1 |
840 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
15415 |
27.7 |
-0.8 |
0.424 |
0 |
0 |
0 |
0.000 |
48 |
|
[HEC]A:424 |
2 |
1 |
842 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
15236 |
27.0 |
-0.8 |
0.445 |
0 |
0 |
0 |
0.000 |
| Average: |
27.3 |
-0.8 |
0.434 |
0 |
0 |
0 |
0.000 |
| 45 |
49 |
|
A |
2 |
1 |
15415 |
◊ |
A |
x,x-y,-z-1/6 |
12_554 |
2 |
1 |
15415 |
19.8 |
-0.6 |
0.233 |
0 |
0 |
0 |
0.000 |
| 46 |
50 |
|
[ACT]B:1362 |
1 |
1 |
182 |
◊ |
[PO4]A:1352 |
-y-1,-x-1,-z+1/6 |
10_445 |
1 |
1 |
190 |
16.7 |
-1.2 |
0.632 |
0 |
0 |
0 |
0.009 |
| 47 |
51 |
|
[PO4]B:1353 |
3 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15415 |
13.0 |
-0.3 |
0.940 |
0 |
0 |
0 |
0.000 |
| 48 |
52 |
|
[PO4]B:1355 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
15415 |
12.9 |
-0.5 |
0.804 |
0 |
0 |
0 |
0.000 |
| 49 |
53 |
|
[PO4]B:1358 |
1 |
1 |
189 |
f |
[PO4]B:1350 |
x,y,z |
1_555 |
1 |
1 |
188 |
11.3 |
-1.2 |
0.800 |
0 |
0 |
0 |
0.004 |
| 50 |
54 |
|
[CA]A:425 |
1 |
1 |
85 |
f |
[HEC]A:424 |
x,y,z |
1_555 |
3 |
1 |
842 |
10.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.016 |
55 |
|
[CA]B:425 |
1 |
1 |
85 |
f |
[HEC]B:424 |
x,y,z |
1_555 |
3 |
1 |
840 |
10.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
10.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.016 |
| 51 |
56 |
|
[PO4]A:1362 |
1 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15415 |
1.4 |
-0.1 |
0.622 |
0 |
0 |
0 |
0.000 |
| 52 |
57 |
|
[PO4]A:1355 |
1 |
1 |
190 |
◊ |
B |
x-y-1,-y-1,-z |
8_445 |
1 |
1 |
15236 |
0.9 |
-0.1 |
0.638 |
0 |
0 |
0 |
0.000 |
|