## |
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 |
110 |
39 |
33699 |
◊ |
A |
x,y,z |
1_555 |
110 |
40 |
33744 |
963.8 |
-3.5 |
0.503 |
17 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
56 |
20 |
33699 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
67 |
20 |
33699 |
530.8 |
-0.9 |
0.629 |
5 |
6 |
0 |
0.000 |
3 |
|
A |
69 |
23 |
33744 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
57 |
22 |
33744 |
512.8 |
0.7 |
0.708 |
9 |
5 |
0 |
0.000 |
Average: |
521.8 |
-0.1 |
0.668 |
7 |
6 |
0 |
0.000 |
3 |
4 |
|
B |
48 |
16 |
33699 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
43 |
12 |
33744 |
401.0 |
2.4 |
0.854 |
11 |
5 |
0 |
0.000 |
4 |
5 |
|
B |
16 |
6 |
33699 |
◊ |
A |
x-1,y,z |
1_455 |
18 |
7 |
33744 |
154.7 |
0.1 |
0.523 |
1 |
0 |
0 |
0.000 |
5 |
6 |
|
[EDO]B:1004 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
33699 |
121.0 |
3.9 |
0.531 |
2 |
0 |
0 |
0.000 |
6 |
7 |
|
[EDO]A:1007 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
33744 |
117.0 |
3.7 |
0.517 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
[EDO]B:1002 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
33699 |
115.9 |
3.4 |
0.468 |
4 |
0 |
0 |
0.000 |
8 |
9 |
|
[EDO]B:1003 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
23 |
6 |
33699 |
114.6 |
3.0 |
0.422 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
[EDO]A:1002 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
24 |
10 |
33744 |
114.6 |
3.3 |
0.462 |
4 |
0 |
0 |
0.000 |
10 |
11 |
|
[EDO]A:1017 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
33744 |
111.6 |
3.5 |
0.442 |
4 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]B:1019 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
33699 |
110.4 |
3.6 |
0.445 |
4 |
0 |
0 |
0.000 |
12 |
13 |
|
[EDO]A:1020 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
22 |
6 |
33744 |
109.5 |
2.9 |
0.415 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]A:1015 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
33744 |
108.9 |
1.8 |
0.306 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[EDO]A:1019 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
33744 |
107.2 |
4.1 |
0.545 |
3 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]A:1016 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
33744 |
106.7 |
2.5 |
0.381 |
1 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]B:1001 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
33699 |
106.7 |
4.1 |
0.655 |
7 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]A:1001 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
10 |
33744 |
106.1 |
4.1 |
0.646 |
7 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]B:1011 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
33699 |
105.4 |
4.1 |
0.554 |
4 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]A:1003 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
33744 |
105.1 |
3.8 |
0.501 |
4 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]B:1007 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
33699 |
104.1 |
4.4 |
0.740 |
3 |
0 |
0 |
0.000 |
21 |
22 |
|
[EDO]B:1016 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
33699 |
103.9 |
3.9 |
0.566 |
1 |
0 |
0 |
0.000 |
22 |
23 |
|
[EDO]A:1010 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
33744 |
103.5 |
2.6 |
0.429 |
1 |
0 |
0 |
0.000 |
23 |
24 |
|
[EDO]A:1021 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
10 |
33744 |
103.0 |
2.2 |
0.250 |
3 |
0 |
0 |
0.000 |
24 |
25 |
|
[EDO]B:1008 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
33699 |
102.1 |
3.2 |
0.409 |
2 |
0 |
0 |
0.000 |
25 |
26 |
|
[EDO]A:1006 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
33744 |
102.1 |
2.9 |
0.381 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[EDO]B:1010 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
33699 |
101.9 |
2.6 |
0.368 |
1 |
0 |
0 |
0.000 |
27 |
28 |
|
[EDO]A:1012 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
33744 |
101.7 |
3.2 |
0.406 |
3 |
0 |
0 |
0.000 |
28 |
29 |
|
[PO4]B:1023 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
33699 |
98.3 |
-6.9 |
0.677 |
5 |
0 |
0 |
0.039 |
29 |
30 |
|
[EDO]B:1005 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
33699 |
96.6 |
2.6 |
0.274 |
2 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:1004 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
33744 |
95.3 |
2.6 |
0.273 |
2 |
0 |
0 |
0.000 |
Average: |
95.9 |
2.6 |
0.274 |
2 |
0 |
0 |
0.000 |
30 |
32 |
|
[PO4]A:1026 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
33744 |
95.9 |
-6.2 |
0.780 |
4 |
0 |
0 |
0.025 |
31 |
33 |
|
[EDO]A:1011 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
33744 |
95.8 |
2.2 |
0.251 |
4 |
0 |
0 |
0.000 |
32 |
34 |
|
[EDO]A:1014 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
33744 |
95.8 |
3.2 |
0.474 |
1 |
0 |
0 |
0.000 |
33 |
35 |
|
[EDO]B:1013 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
33699 |
95.8 |
3.0 |
0.490 |
3 |
0 |
0 |
0.000 |
34 |
36 |
|
[EDO]B:1018 |
4 |
1 |
180 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
33699 |
92.2 |
2.9 |
0.432 |
2 |
0 |
0 |
0.000 |
35 |
37 |
|
[EDO]A:1009 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
33744 |
91.5 |
2.8 |
0.432 |
2 |
0 |
0 |
0.000 |
36 |
38 |
|
B |
15 |
6 |
33699 |
◊ |
[EDO]B:1009 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
184 |
90.9 |
2.6 |
0.425 |
2 |
0 |
0 |
0.000 |
37 |
39 |
|
[EDO]B:1015 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
33699 |
90.6 |
2.1 |
0.255 |
4 |
0 |
0 |
0.000 |
38 |
40 |
|
[EDO]A:1018 |
4 |
1 |
185 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
13 |
7 |
33744 |
89.5 |
2.9 |
0.311 |
3 |
0 |
0 |
0.000 |
39 |
41 |
|
B |
13 |
8 |
33699 |
f |
[EDO]B:1021 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
185 |
88.3 |
2.5 |
0.310 |
3 |
0 |
0 |
0.000 |
40 |
42 |
|
[PO4]B:1025 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
33699 |
87.7 |
-4.5 |
0.904 |
6 |
0 |
0 |
0.031 |
41 |
43 |
|
[EDO]B:1012 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
33699 |
86.8 |
3.3 |
0.322 |
3 |
0 |
0 |
0.000 |
42 |
44 |
|
[EDO]B:1017 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
33699 |
86.8 |
1.9 |
0.229 |
1 |
0 |
0 |
0.000 |
43 |
45 |
|
[PO4]A:1025 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
33744 |
83.0 |
-4.1 |
0.898 |
4 |
0 |
0 |
0.019 |
44 |
46 |
|
[EDO]A:1013 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
33744 |
75.1 |
1.0 |
0.557 |
1 |
0 |
0 |
0.000 |
45 |
47 |
|
[EDO]B:1020 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
33699 |
74.7 |
1.6 |
0.709 |
1 |
0 |
0 |
0.000 |
46 |
48 |
|
[EDO]B:1014 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
33699 |
74.1 |
1.0 |
0.572 |
1 |
0 |
0 |
0.000 |
47 |
49 |
|
[EDO]B:1006 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
33699 |
73.3 |
1.7 |
0.785 |
2 |
0 |
0 |
0.000 |
48 |
50 |
|
[PO4]A:1024 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
33744 |
73.0 |
-4.0 |
0.789 |
4 |
0 |
0 |
0.018 |
49 |
51 |
|
[EDO]A:1008 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
33744 |
72.5 |
1.6 |
0.800 |
2 |
0 |
0 |
0.000 |
50 |
52 |
|
[EDO]A:1005 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
33744 |
68.9 |
2.2 |
0.294 |
3 |
0 |
0 |
0.000 |
51 |
53 |
|
[PO4]A:1023 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
33744 |
61.9 |
-3.5 |
0.777 |
1 |
0 |
0 |
0.013 |
52 |
54 |
|
[PO4]B:1024 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
33699 |
61.9 |
-3.4 |
0.834 |
1 |
0 |
0 |
0.016 |
53 |
55 |
|
[EDO]B:1006 |
4 |
1 |
185 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
8 |
4 |
33699 |
61.8 |
1.6 |
0.203 |
0 |
0 |
0 |
0.000 |
54 |
56 |
|
[EDO]B:1009 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
33699 |
61.2 |
1.6 |
0.904 |
2 |
0 |
0 |
0.000 |
55 |
57 |
|
A |
7 |
4 |
33744 |
f |
[EDO]A:1009 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
183 |
61.0 |
1.6 |
0.904 |
3 |
0 |
0 |
0.000 |
56 |
58 |
|
A |
7 |
3 |
33744 |
◊ |
[EDO]A:1008 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
185 |
60.2 |
1.6 |
0.206 |
0 |
0 |
0 |
0.000 |
57 |
59 |
|
[EDO]A:1005 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
33699 |
58.0 |
1.2 |
0.803 |
1 |
0 |
0 |
0.000 |
58 |
60 |
|
[ZN]A:1022 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
33744 |
51.0 |
-38.6 |
0.000 |
0 |
0 |
0 |
0.165 |
61 |
|
[ZN]B:1022 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
33699 |
50.9 |
-38.7 |
0.000 |
0 |
0 |
0 |
0.165 |
Average: |
51.0 |
-38.6 |
0.000 |
0 |
0 |
0 |
0.165 |
59 |
62 |
|
[PO4]A:1025 |
4 |
1 |
189 |
f |
[PO4]A:1024 |
x,y,z |
1_555 |
4 |
1 |
190 |
45.8 |
-4.2 |
0.973 |
0 |
0 |
0 |
0.013 |
60 |
63 |
|
[PO4]B:1025 |
4 |
1 |
190 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
3 |
33744 |
45.0 |
-1.7 |
0.902 |
1 |
0 |
0 |
0.000 |
61 |
64 |
|
[PO4]A:1024 |
5 |
1 |
190 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
2 |
33699 |
41.6 |
-0.8 |
0.982 |
2 |
0 |
0 |
0.000 |
62 |
65 |
|
A |
4 |
2 |
33744 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
3 |
33699 |
38.1 |
0.1 |
0.442 |
0 |
0 |
0 |
0.000 |
63 |
66 |
|
[EDO]A:1015 |
3 |
1 |
184 |
f |
[EDO]A:1014 |
x,y,z |
1_555 |
4 |
1 |
181 |
36.3 |
1.1 |
1.000 |
2 |
0 |
0 |
0.000 |
64 |
67 |
|
[EDO]B:1021 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
33699 |
31.9 |
1.8 |
0.989 |
0 |
0 |
0 |
0.000 |
65 |
68 |
|
[EDO]B:1020 |
2 |
1 |
184 |
f |
[EDO]B:1013 |
x,y,z |
1_555 |
2 |
1 |
186 |
31.7 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
66 |
69 |
|
[EDO]A:1015 |
3 |
1 |
184 |
f |
[EDO]A:1004 |
x,y,z |
1_555 |
2 |
1 |
184 |
29.1 |
1.0 |
1.000 |
1 |
0 |
0 |
0.000 |
67 |
70 |
|
[EDO]A:1018 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
33744 |
28.5 |
1.6 |
0.989 |
1 |
0 |
0 |
0.000 |
68 |
71 |
|
[PO4]B:1024 |
1 |
1 |
189 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
3 |
3 |
33699 |
24.5 |
-1.3 |
0.759 |
0 |
0 |
0 |
0.000 |
69 |
72 |
|
A |
3 |
3 |
33744 |
◊ |
[PO4]A:1023 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
189 |
21.3 |
-1.1 |
0.769 |
0 |
0 |
0 |
0.000 |
70 |
73 |
|
[PO4]A:1024 |
3 |
1 |
190 |
f |
[EDO]B:1020 |
x,y,z-1 |
1_554 |
2 |
1 |
184 |
18.2 |
-0.4 |
0.996 |
0 |
0 |
0 |
0.001 |
71 |
74 |
|
[EDO]A:1014 |
4 |
1 |
181 |
f |
[EDO]A:1004 |
x,y,z |
1_555 |
2 |
1 |
184 |
16.7 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
72 |
75 |
|
A |
1 |
1 |
33744 |
f |
[EDO]A:1002 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
183 |
0.8 |
0.0 |
0.817 |
0 |
0 |
0 |
0.000 |
|