## |
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 |
237 |
61 |
29769 |
◊ |
A |
x,y,z |
1_555 |
223 |
54 |
8501 |
2175.2 |
-13.6 |
0.437 |
30 |
11 |
0 |
0.289 |
2 |
|
E |
236 |
62 |
29560 |
◊ |
D |
x,y,z |
1_555 |
225 |
56 |
8229 |
2167.5 |
-13.2 |
0.376 |
28 |
11 |
0 |
0.289 |
Average: |
2171.3 |
-13.4 |
0.407 |
29 |
11 |
0 |
0.289 |
2 |
3 |
|
E |
211 |
58 |
29560 |
◊ |
B |
x,y,z |
1_555 |
208 |
57 |
29769 |
2037.6 |
-14.4 |
0.390 |
29 |
6 |
0 |
0.270 |
3 |
4 |
|
C |
125 |
36 |
13013 |
◊ |
A |
x,y,z |
1_555 |
133 |
37 |
8501 |
1259.2 |
-17.2 |
0.122 |
7 |
2 |
0 |
0.393 |
5 |
|
F |
126 |
36 |
12851 |
◊ |
D |
x,y,z |
1_555 |
133 |
35 |
8229 |
1216.9 |
-19.1 |
0.078 |
6 |
2 |
0 |
0.393 |
Average: |
1238.0 |
-18.1 |
0.100 |
7 |
2 |
0 |
0.393 |
4 |
6 |
|
C |
87 |
25 |
13013 |
◊ |
B |
x,y,z |
1_555 |
108 |
30 |
29769 |
895.3 |
-9.6 |
0.263 |
8 |
7 |
0 |
0.104 |
7 |
|
F |
84 |
25 |
12851 |
◊ |
E |
x,y,z |
1_555 |
103 |
31 |
29560 |
885.3 |
-9.1 |
0.275 |
9 |
8 |
0 |
0.104 |
Average: |
890.3 |
-9.4 |
0.269 |
9 |
8 |
0 |
0.104 |
5 |
8 |
|
A |
62 |
17 |
8501 |
◊ |
E |
x-1/2,-y+5/2,-z+2 |
4_477 |
77 |
25 |
29560 |
682.7 |
-8.1 |
0.240 |
6 |
7 |
0 |
0.040 |
6 |
9 |
|
[MCN]E:4920 |
44 |
1 |
850 |
f |
E |
x,y,z |
1_555 |
80 |
31 |
29560 |
539.8 |
-9.9 |
0.450 |
24 |
0 |
0 |
0.390 |
10 |
|
[MCN]B:3920 |
43 |
1 |
850 |
f |
B |
x,y,z |
1_555 |
81 |
31 |
29769 |
536.1 |
-9.9 |
0.446 |
23 |
0 |
0 |
0.390 |
Average: |
538.0 |
-9.9 |
0.448 |
24 |
0 |
0 |
0.390 |
7 |
11 |
|
C |
48 |
15 |
13013 |
◊ |
E |
-x+3/2,-y+3,z-1/2 |
2_684 |
46 |
13 |
29560 |
419.0 |
1.7 |
0.861 |
3 |
4 |
0 |
0.000 |
8 |
12 |
|
B |
44 |
16 |
29769 |
◊ |
D |
x-1/2,-y+5/2,-z+2 |
4_477 |
48 |
14 |
8229 |
416.7 |
-5.5 |
0.257 |
0 |
0 |
0 |
0.019 |
9 |
13 |
|
E |
38 |
13 |
29560 |
◊ |
B |
x-1/2,-y+5/2,-z+2 |
4_477 |
45 |
13 |
29769 |
394.4 |
-5.4 |
0.172 |
5 |
0 |
0 |
0.000 |
10 |
14 |
|
B |
30 |
10 |
29769 |
x |
B |
x-1/2,-y+5/2,-z+2 |
4_477 |
40 |
14 |
29769 |
378.8 |
-3.0 |
0.363 |
2 |
1 |
0 |
0.000 |
11 |
15 |
|
B |
53 |
19 |
29769 |
◊ |
E |
x-1/2,-y+5/2,-z+2 |
4_477 |
32 |
11 |
29560 |
319.7 |
0.8 |
0.812 |
1 |
0 |
0 |
0.000 |
12 |
16 |
|
B |
36 |
12 |
29769 |
◊ |
F |
x,y-1,z |
1_545 |
37 |
14 |
12851 |
302.9 |
0.0 |
0.739 |
2 |
1 |
0 |
0.000 |
13 |
17 |
|
[FAD]C:3932 |
18 |
1 |
408 |
f |
C |
x,y,z |
1_555 |
37 |
16 |
13013 |
260.3 |
1.1 |
0.617 |
5 |
0 |
0 |
0.100 |
18 |
|
[FAD]F:4931 |
18 |
1 |
413 |
f |
F |
x,y,z |
1_555 |
35 |
16 |
12851 |
259.4 |
0.9 |
0.576 |
6 |
0 |
0 |
0.100 |
Average: |
259.8 |
1.0 |
0.596 |
6 |
0 |
0 |
0.100 |
14 |
19 |
|
C |
24 |
10 |
13013 |
◊ |
F |
-x+2,y-1/2,-z+3/2 |
3_746 |
28 |
9 |
12851 |
242.4 |
-2.1 |
0.399 |
2 |
0 |
0 |
0.000 |
15 |
20 |
|
C |
28 |
6 |
13013 |
◊ |
F |
-x+3/2,-y+3,z-1/2 |
2_684 |
25 |
7 |
12851 |
229.9 |
-2.2 |
0.454 |
2 |
0 |
0 |
0.000 |
16 |
21 |
|
A |
18 |
6 |
8501 |
◊ |
E |
-x+3/2,-y+3,z-1/2 |
2_684 |
24 |
10 |
29560 |
193.4 |
1.1 |
0.771 |
3 |
5 |
0 |
0.000 |
17 |
22 |
|
C |
28 |
10 |
13013 |
◊ |
E |
-x+3/2,-y+2,z-1/2 |
2_674 |
18 |
5 |
29560 |
168.1 |
-1.4 |
0.471 |
1 |
0 |
0 |
0.000 |
18 |
23 |
|
E |
17 |
6 |
29560 |
◊ |
F |
x-1/2,-y+7/2,-z+2 |
4_487 |
16 |
7 |
12851 |
136.9 |
-1.3 |
0.446 |
0 |
1 |
0 |
0.000 |
19 |
24 |
|
[CUM]E:4921 |
5 |
1 |
253 |
f |
E |
x,y,z |
1_555 |
28 |
15 |
29560 |
130.3 |
-9.5 |
0.517 |
3 |
0 |
0 |
0.203 |
25 |
|
[CUM]B:3921 |
5 |
1 |
251 |
f |
B |
x,y,z |
1_555 |
27 |
14 |
29769 |
128.7 |
-9.5 |
0.560 |
2 |
0 |
0 |
0.203 |
Average: |
129.5 |
-9.5 |
0.538 |
3 |
0 |
0 |
0.203 |
20 |
26 |
|
[FES]D:4908 |
4 |
1 |
238 |
f |
D |
x,y,z |
1_555 |
15 |
9 |
8229 |
116.8 |
-15.4 |
0.641 |
1 |
0 |
0 |
0.292 |
27 |
|
[FES]A:3908 |
4 |
1 |
236 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
8501 |
115.7 |
-15.3 |
0.638 |
1 |
0 |
0 |
0.292 |
Average: |
116.2 |
-15.4 |
0.640 |
1 |
0 |
0 |
0.292 |
21 |
28 |
|
[FES]A:3907 |
4 |
1 |
237 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
8501 |
111.7 |
-13.6 |
0.552 |
2 |
0 |
0 |
0.268 |
29 |
|
[FES]D:4907 |
4 |
1 |
237 |
f |
D |
x,y,z |
1_555 |
20 |
10 |
8229 |
111.4 |
-13.5 |
0.581 |
2 |
0 |
0 |
0.268 |
Average: |
111.5 |
-13.6 |
0.567 |
2 |
0 |
0 |
0.268 |
22 |
30 |
|
C |
11 |
5 |
13013 |
◊ |
B |
-x+3/2,-y+2,z-1/2 |
2_674 |
13 |
5 |
29769 |
109.0 |
0.8 |
0.701 |
1 |
2 |
0 |
0.000 |
23 |
31 |
|
B |
9 |
5 |
29769 |
◊ |
F |
-x+2,y-1/2,-z+3/2 |
3_746 |
9 |
4 |
12851 |
76.6 |
1.1 |
0.834 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[PO4]A:3001 |
5 |
1 |
193 |
f |
E |
-x+3/2,-y+3,z-1/2 |
2_684 |
7 |
3 |
29560 |
74.0 |
-3.8 |
0.789 |
2 |
0 |
0 |
0.046 |
25 |
33 |
|
[FAD]C:3932 |
4 |
1 |
408 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
8501 |
68.2 |
-1.0 |
0.276 |
0 |
0 |
0 |
0.018 |
34 |
|
[FAD]F:4931 |
4 |
1 |
413 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
8229 |
66.4 |
-1.0 |
0.270 |
0 |
0 |
0 |
0.018 |
Average: |
67.3 |
-1.0 |
0.273 |
0 |
0 |
0 |
0.018 |
26 |
35 |
|
[MCN]E:4920 |
4 |
1 |
850 |
f |
[CUM]E:4921 |
x,y,z |
1_555 |
4 |
1 |
253 |
57.9 |
-4.8 |
0.349 |
0 |
0 |
0 |
0.092 |
36 |
|
[MCN]B:3920 |
5 |
1 |
850 |
f |
[CUM]B:3921 |
x,y,z |
1_555 |
4 |
1 |
251 |
57.3 |
-4.8 |
0.415 |
0 |
0 |
0 |
0.092 |
Average: |
57.6 |
-4.8 |
0.382 |
0 |
0 |
0 |
0.092 |
27 |
37 |
|
[PO4]A:3001 |
4 |
1 |
193 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
8501 |
55.0 |
-3.4 |
0.472 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[MCN]B:3920 |
4 |
1 |
850 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
8501 |
51.0 |
0.4 |
0.622 |
1 |
0 |
0 |
0.000 |
39 |
|
[MCN]E:4920 |
4 |
1 |
850 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
8229 |
50.5 |
0.4 |
0.599 |
1 |
0 |
0 |
0.000 |
Average: |
50.8 |
0.4 |
0.610 |
1 |
0 |
0 |
0.001 |
29 |
40 |
|
D |
5 |
1 |
8229 |
◊ |
E |
-x+3/2,-y+3,z-1/2 |
2_684 |
4 |
1 |
29560 |
48.6 |
0.3 |
0.749 |
1 |
2 |
0 |
0.000 |
30 |
41 |
|
[FES]A:3907 |
3 |
1 |
237 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
29769 |
45.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.038 |
42 |
|
[FES]D:4907 |
3 |
1 |
237 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
29560 |
45.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
45.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.038 |
31 |
43 |
|
E |
7 |
4 |
29560 |
x |
E |
-x+3/2,-y+3,z-1/2 |
2_684 |
3 |
1 |
29560 |
33.3 |
0.5 |
0.715 |
0 |
0 |
0 |
0.000 |
32 |
44 |
|
[FES]A:3908 |
2 |
1 |
236 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
13013 |
17.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.019 |
45 |
|
[FES]D:4908 |
2 |
1 |
238 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
12851 |
15.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
16.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.019 |
33 |
46 |
|
[FAD]F:4931 |
3 |
1 |
413 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
29560 |
7.4 |
-0.2 |
0.324 |
0 |
0 |
0 |
0.001 |
47 |
|
[FAD]C:3932 |
2 |
1 |
408 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
29769 |
3.4 |
-0.1 |
0.293 |
0 |
0 |
0 |
0.001 |
Average: |
5.4 |
-0.2 |
0.308 |
0 |
0 |
0 |
0.001 |
34 |
48 |
|
[MCN]E:4920 |
1 |
1 |
850 |
◊ |
[FES]D:4907 |
x,y,z |
1_555 |
1 |
1 |
237 |
7.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
49 |
|
[MCN]B:3920 |
1 |
1 |
850 |
◊ |
[FES]A:3907 |
x,y,z |
1_555 |
1 |
1 |
237 |
7.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
7.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
35 |
50 |
|
[FES]D:4908 |
1 |
1 |
238 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
29560 |
4.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
51 |
|
[FES]A:3908 |
1 |
1 |
236 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
29769 |
2.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
3.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
36 |
52 |
|
E |
1 |
1 |
29560 |
x |
E |
-x+2,y-1/2,-z+5/2 |
3_747 |
1 |
1 |
29560 |
1.9 |
-0.1 |
0.439 |
0 |
0 |
0 |
0.000 |
|