## |
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 |
232 |
61 |
29313 |
◊ |
A |
x,y,z |
1_555 |
227 |
56 |
8423 |
2180.7 |
-13.6 |
0.343 |
29 |
13 |
0 |
0.255 |
2 |
|
E |
234 |
62 |
29237 |
◊ |
D |
x,y,z |
1_555 |
228 |
55 |
8273 |
2162.2 |
-14.1 |
0.323 |
27 |
11 |
0 |
0.255 |
Average: |
2171.5 |
-13.9 |
0.333 |
28 |
12 |
0 |
0.255 |
2 |
3 |
|
E |
212 |
59 |
29237 |
◊ |
B |
x,y,z |
1_555 |
206 |
58 |
29313 |
2048.3 |
-15.9 |
0.319 |
26 |
6 |
0 |
0.221 |
3 |
4 |
|
C |
130 |
39 |
12929 |
◊ |
A |
x,y,z |
1_555 |
134 |
36 |
8423 |
1249.4 |
-18.0 |
0.094 |
7 |
2 |
0 |
0.309 |
5 |
|
F |
126 |
38 |
12747 |
◊ |
D |
x,y,z |
1_555 |
131 |
35 |
8273 |
1228.8 |
-19.0 |
0.078 |
7 |
2 |
0 |
0.309 |
Average: |
1239.1 |
-18.5 |
0.086 |
7 |
2 |
0 |
0.309 |
4 |
6 |
|
F |
93 |
27 |
12747 |
◊ |
E |
x,y,z |
1_555 |
110 |
31 |
29237 |
916.2 |
-9.4 |
0.289 |
9 |
8 |
0 |
0.085 |
7 |
|
C |
86 |
25 |
12929 |
◊ |
B |
x,y,z |
1_555 |
107 |
30 |
29313 |
892.4 |
-9.7 |
0.247 |
8 |
6 |
0 |
0.085 |
Average: |
904.3 |
-9.6 |
0.268 |
9 |
7 |
0 |
0.085 |
5 |
8 |
|
[FAD]C:4932 |
53 |
1 |
969 |
f |
C |
x,y,z |
1_555 |
97 |
39 |
12929 |
691.0 |
-6.8 |
0.616 |
24 |
0 |
0 |
0.247 |
9 |
|
[FAD]F:4931 |
51 |
1 |
970 |
f |
F |
x,y,z |
1_555 |
98 |
39 |
12747 |
686.5 |
-7.2 |
0.598 |
24 |
0 |
0 |
0.247 |
Average: |
688.8 |
-7.0 |
0.607 |
24 |
0 |
0 |
0.247 |
6 |
10 |
|
A |
64 |
17 |
8423 |
◊ |
E |
x-1/2,-y+5/2,-z+2 |
4_477 |
74 |
25 |
29237 |
689.2 |
-9.8 |
0.133 |
6 |
7 |
0 |
0.038 |
7 |
11 |
|
[MCN]E:3923 |
44 |
1 |
847 |
f |
E |
x,y,z |
1_555 |
80 |
30 |
29237 |
522.0 |
-9.7 |
0.433 |
22 |
0 |
0 |
0.304 |
12 |
|
[MCN]B:3921 |
43 |
1 |
848 |
f |
B |
x,y,z |
1_555 |
80 |
31 |
29313 |
520.4 |
-9.8 |
0.449 |
22 |
0 |
0 |
0.304 |
Average: |
521.2 |
-9.7 |
0.441 |
22 |
0 |
0 |
0.304 |
8 |
13 |
|
B |
47 |
18 |
29313 |
◊ |
D |
x-1/2,-y+5/2,-z+2 |
4_477 |
55 |
18 |
8273 |
445.8 |
-5.3 |
0.278 |
0 |
0 |
0 |
0.015 |
9 |
14 |
|
C |
55 |
16 |
12929 |
◊ |
E |
-x+3/2,-y+3,z-1/2 |
2_684 |
47 |
14 |
29237 |
440.7 |
1.8 |
0.860 |
2 |
4 |
0 |
0.000 |
10 |
15 |
|
B |
34 |
10 |
29313 |
x |
B |
x-1/2,-y+5/2,-z+2 |
4_477 |
39 |
16 |
29313 |
393.8 |
-2.5 |
0.468 |
3 |
1 |
0 |
0.000 |
11 |
16 |
|
E |
38 |
14 |
29237 |
◊ |
B |
x-1/2,-y+5/2,-z+2 |
4_477 |
43 |
14 |
29313 |
384.1 |
-4.3 |
0.260 |
4 |
0 |
0 |
0.000 |
12 |
17 |
|
B |
47 |
17 |
29313 |
◊ |
E |
x-1/2,-y+5/2,-z+2 |
4_477 |
33 |
10 |
29237 |
316.4 |
0.5 |
0.771 |
2 |
0 |
0 |
0.001 |
13 |
18 |
|
B |
36 |
12 |
29313 |
◊ |
F |
x,y-1,z |
1_545 |
37 |
14 |
12747 |
315.1 |
-1.2 |
0.592 |
2 |
1 |
0 |
0.000 |
14 |
19 |
|
C |
24 |
10 |
12929 |
◊ |
F |
-x+2,y-1/2,-z+3/2 |
3_746 |
27 |
9 |
12747 |
246.0 |
-2.4 |
0.397 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
C |
26 |
6 |
12929 |
◊ |
F |
-x+3/2,-y+3,z-1/2 |
2_684 |
26 |
7 |
12747 |
226.9 |
-1.8 |
0.516 |
2 |
0 |
0 |
0.000 |
16 |
21 |
|
A |
16 |
6 |
8423 |
◊ |
E |
-x+3/2,-y+3,z-1/2 |
2_684 |
24 |
10 |
29237 |
182.3 |
1.4 |
0.799 |
4 |
4 |
0 |
0.000 |
17 |
22 |
|
C |
24 |
10 |
12929 |
◊ |
E |
-x+3/2,-y+2,z-1/2 |
2_674 |
16 |
5 |
29237 |
153.5 |
-2.0 |
0.406 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
E |
14 |
6 |
29237 |
◊ |
F |
x-1/2,-y+7/2,-z+2 |
4_487 |
15 |
6 |
12747 |
121.5 |
-1.1 |
0.471 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[FES]A:3908 |
4 |
1 |
237 |
f |
A |
x,y,z |
1_555 |
15 |
10 |
8423 |
115.7 |
-15.3 |
0.645 |
1 |
0 |
0 |
0.222 |
25 |
|
[FES]D:3908 |
4 |
1 |
237 |
f |
D |
x,y,z |
1_555 |
15 |
9 |
8273 |
115.1 |
-15.3 |
0.640 |
1 |
0 |
0 |
0.222 |
Average: |
115.4 |
-15.3 |
0.642 |
1 |
0 |
0 |
0.222 |
20 |
26 |
|
[CUM]E:3922 |
5 |
1 |
252 |
f |
E |
x,y,z |
1_555 |
28 |
15 |
29237 |
114.6 |
-8.6 |
0.517 |
2 |
0 |
0 |
0.147 |
27 |
|
[CUM]B:3920 |
5 |
1 |
251 |
f |
B |
x,y,z |
1_555 |
27 |
14 |
29313 |
113.5 |
-8.5 |
0.568 |
2 |
0 |
0 |
0.147 |
Average: |
114.0 |
-8.6 |
0.542 |
2 |
0 |
0 |
0.147 |
21 |
28 |
|
[FES]A:3907 |
4 |
1 |
236 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
8423 |
109.6 |
-13.4 |
0.572 |
2 |
0 |
0 |
0.201 |
29 |
|
[FES]D:3907 |
4 |
1 |
237 |
f |
D |
x,y,z |
1_555 |
21 |
11 |
8273 |
109.2 |
-13.4 |
0.599 |
2 |
0 |
0 |
0.201 |
Average: |
109.4 |
-13.4 |
0.585 |
2 |
0 |
0 |
0.201 |
22 |
30 |
|
C |
11 |
5 |
12929 |
◊ |
B |
-x+3/2,-y+2,z-1/2 |
2_674 |
15 |
6 |
29313 |
98.6 |
1.0 |
0.754 |
1 |
2 |
0 |
0.000 |
23 |
31 |
|
[FAD]C:4932 |
4 |
1 |
969 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
8423 |
71.2 |
-1.1 |
0.458 |
0 |
0 |
0 |
0.016 |
32 |
|
[FAD]F:4931 |
3 |
1 |
970 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
8273 |
69.7 |
-1.2 |
0.411 |
0 |
0 |
0 |
0.016 |
Average: |
70.5 |
-1.1 |
0.434 |
0 |
0 |
0 |
0.016 |
24 |
33 |
|
[PO4]A:3001 |
5 |
1 |
187 |
f |
E |
-x+3/2,-y+3,z-1/2 |
2_684 |
7 |
4 |
29237 |
62.0 |
-2.8 |
0.901 |
1 |
0 |
0 |
0.028 |
25 |
34 |
|
B |
9 |
5 |
29313 |
◊ |
F |
-x+2,y-1/2,-z+3/2 |
3_746 |
7 |
3 |
12747 |
59.6 |
1.0 |
0.776 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
[MCN]E:3923 |
5 |
1 |
847 |
f |
[CUM]E:3922 |
x,y,z |
1_555 |
4 |
1 |
252 |
53.5 |
-4.5 |
0.411 |
0 |
0 |
0 |
0.069 |
36 |
|
[MCN]B:3921 |
5 |
1 |
848 |
f |
[CUM]B:3920 |
x,y,z |
1_555 |
4 |
1 |
251 |
53.2 |
-4.4 |
0.429 |
0 |
0 |
0 |
0.069 |
Average: |
53.4 |
-4.4 |
0.420 |
0 |
0 |
0 |
0.069 |
27 |
37 |
|
[MCN]B:3921 |
4 |
1 |
848 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
8423 |
52.0 |
0.4 |
0.620 |
1 |
0 |
0 |
0.000 |
38 |
|
[MCN]E:3923 |
4 |
1 |
847 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
8273 |
51.6 |
0.4 |
0.620 |
1 |
0 |
0 |
0.000 |
Average: |
51.8 |
0.4 |
0.620 |
1 |
0 |
0 |
0.000 |
28 |
39 |
|
[FES]D:3907 |
3 |
1 |
237 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
29237 |
46.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.034 |
40 |
|
[FES]A:3907 |
3 |
1 |
236 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
29313 |
45.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
46.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.034 |
29 |
41 |
|
[PO4]A:3001 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
8423 |
46.0 |
-1.0 |
0.964 |
1 |
0 |
0 |
0.000 |
30 |
42 |
|
D |
5 |
1 |
8273 |
◊ |
E |
-x+3/2,-y+3,z-1/2 |
2_684 |
4 |
1 |
29237 |
44.7 |
0.3 |
0.724 |
1 |
2 |
0 |
0.000 |
31 |
43 |
|
[CU]E:3911 |
1 |
1 |
125 |
cf |
E |
x,y,z |
1_555 |
16 |
10 |
29237 |
42.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.106 |
44 |
|
[CU]B:3910 |
1 |
1 |
125 |
cf |
B |
x,y,z |
1_555 |
15 |
9 |
29313 |
41.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.106 |
Average: |
42.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.106 |
32 |
45 |
|
[CUM]E:3922 |
4 |
1 |
252 |
f |
[CU]E:3911 |
x,y,z |
1_555 |
1 |
1 |
125 |
33.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.090 |
46 |
|
[CUM]B:3920 |
4 |
1 |
251 |
f |
[CU]B:3910 |
x,y,z |
1_555 |
1 |
1 |
125 |
33.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
33.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.090 |
33 |
47 |
|
[MCN]E:3923 |
2 |
1 |
847 |
f |
[CU]E:3911 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.038 |
48 |
|
[MCN]B:3921 |
2 |
1 |
848 |
f |
[CU]B:3910 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
18.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.038 |
34 |
49 |
|
[FES]D:3908 |
2 |
1 |
237 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
12747 |
17.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.014 |
50 |
|
[FES]A:3908 |
2 |
1 |
237 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
12929 |
15.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
16.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.014 |
35 |
51 |
|
E |
2 |
1 |
29237 |
x |
E |
-x+3/2,-y+3,z-1/2 |
2_684 |
1 |
1 |
29237 |
13.5 |
0.5 |
0.826 |
0 |
0 |
0 |
0.000 |
36 |
52 |
|
E |
1 |
1 |
29237 |
x |
E |
-x+2,y-1/2,-z+5/2 |
3_747 |
2 |
1 |
29237 |
7.7 |
-0.2 |
0.313 |
0 |
0 |
0 |
0.000 |
37 |
53 |
|
[MCN]B:3921 |
1 |
1 |
848 |
◊ |
[FES]A:3907 |
x,y,z |
1_555 |
1 |
1 |
236 |
7.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
54 |
|
[MCN]E:3923 |
1 |
1 |
847 |
◊ |
[FES]D:3907 |
x,y,z |
1_555 |
1 |
1 |
237 |
7.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
7.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
38 |
55 |
|
[FAD]F:4931 |
3 |
1 |
970 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
29237 |
7.0 |
-0.3 |
0.371 |
0 |
0 |
0 |
0.002 |
56 |
|
[FAD]C:4932 |
2 |
1 |
969 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
29313 |
2.4 |
-0.1 |
0.381 |
0 |
0 |
0 |
0.002 |
Average: |
4.7 |
-0.2 |
0.376 |
0 |
0 |
0 |
0.002 |
39 |
57 |
|
[FES]D:3908 |
1 |
1 |
237 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
29237 |
4.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
58 |
|
[FES]A:3908 |
1 |
1 |
237 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
29313 |
4.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
4.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
|