## |
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 |
360 |
92 |
24052 |
◊ |
B |
x,-y+1,-z |
4_565 |
360 |
92 |
24052 |
3342.1 |
-33.7 |
0.037 |
58 |
14 |
0 |
0.425 |
2 |
|
A |
364 |
92 |
23753 |
◊ |
A |
x,-y+1,-z |
4_565 |
364 |
92 |
23753 |
3316.6 |
-35.6 |
0.024 |
60 |
14 |
0 |
0.425 |
Average: |
3329.4 |
-34.7 |
0.030 |
59 |
14 |
0 |
0.425 |
2 |
3 |
|
B |
139 |
35 |
24052 |
◊ |
A |
x,y,z |
1_555 |
140 |
38 |
23753 |
1288.1 |
-8.7 |
0.396 |
15 |
6 |
0 |
0.165 |
3 |
4 |
|
B |
78 |
22 |
24052 |
◊ |
A |
x,-y+1,-z |
4_565 |
80 |
22 |
23753 |
831.0 |
-7.8 |
0.218 |
8 |
4 |
0 |
0.067 |
4 |
5 |
|
[FAD]A:1614 |
52 |
1 |
1000 |
f |
A |
x,y,z |
1_555 |
97 |
38 |
23753 |
705.0 |
-11.4 |
0.324 |
14 |
0 |
0 |
0.354 |
6 |
|
[FAD]B:1617 |
52 |
1 |
997 |
f |
B |
x,y,z |
1_555 |
94 |
34 |
24052 |
701.4 |
-11.7 |
0.339 |
13 |
0 |
0 |
0.354 |
Average: |
703.2 |
-11.5 |
0.331 |
14 |
0 |
0 |
0.354 |
5 |
7 |
|
B |
79 |
22 |
24052 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
77 |
24 |
23753 |
704.0 |
-1.9 |
0.616 |
4 |
2 |
0 |
0.000 |
6 |
8 |
|
B |
57 |
14 |
24052 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
63 |
23 |
23753 |
527.4 |
1.5 |
0.833 |
6 |
2 |
0 |
0.000 |
7 |
9 |
|
[TDL]A:1611 |
28 |
1 |
674 |
f |
A |
x,y,z |
1_555 |
58 |
24 |
23753 |
346.8 |
-9.7 |
0.261 |
8 |
0 |
0 |
0.266 |
10 |
|
[TDL]B:1616 |
29 |
1 |
671 |
f |
B |
x,y,z |
1_555 |
57 |
24 |
24052 |
345.3 |
-9.6 |
0.266 |
8 |
0 |
0 |
0.266 |
Average: |
346.0 |
-9.6 |
0.263 |
8 |
0 |
0 |
0.266 |
8 |
11 |
|
B |
36 |
11 |
24052 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
37 |
11 |
24052 |
313.7 |
4.1 |
0.950 |
12 |
0 |
0 |
0.000 |
9 |
12 |
|
[TDL]A:1611 |
16 |
1 |
674 |
◊ |
A |
x,-y+1,-z |
4_565 |
27 |
12 |
23753 |
189.0 |
0.6 |
0.714 |
2 |
0 |
0 |
0.004 |
13 |
|
[TDL]B:1616 |
17 |
1 |
671 |
◊ |
B |
x,-y+1,-z |
4_565 |
26 |
12 |
24052 |
186.7 |
0.6 |
0.716 |
2 |
0 |
0 |
0.004 |
Average: |
187.8 |
0.6 |
0.715 |
2 |
0 |
0 |
0.004 |
10 |
14 |
|
B |
22 |
5 |
24052 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
10 |
3 |
23753 |
146.1 |
-0.9 |
0.475 |
3 |
1 |
0 |
0.000 |
11 |
15 |
|
[PYR]B:1618 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
24052 |
135.0 |
3.2 |
0.392 |
5 |
0 |
0 |
0.000 |
12 |
16 |
|
[PYR]A:1615 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
23753 |
134.1 |
3.2 |
0.392 |
5 |
0 |
0 |
0.000 |
13 |
17 |
|
[FAD]B:1617 |
11 |
1 |
997 |
◊ |
B |
x,-y+1,-z |
4_565 |
7 |
1 |
24052 |
59.2 |
-1.8 |
0.202 |
0 |
0 |
0 |
0.025 |
18 |
|
[FAD]A:1614 |
11 |
1 |
1000 |
◊ |
A |
x,-y+1,-z |
4_565 |
8 |
1 |
23753 |
59.2 |
-1.8 |
0.229 |
0 |
0 |
0 |
0.025 |
Average: |
59.2 |
-1.8 |
0.215 |
0 |
0 |
0 |
0.025 |
14 |
19 |
|
[NA]B:1511 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
9 |
6 |
24052 |
57.0 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.147 |
20 |
|
[NA]A:1513 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
9 |
6 |
23753 |
51.4 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.147 |
Average: |
54.2 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.147 |
15 |
21 |
|
[NA]A:1513 |
1 |
1 |
125 |
f |
[NA]A:1513 |
x,-y+1,-z |
4_565 |
1 |
1 |
125 |
53.2 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.100 |
16 |
22 |
|
[MG]B:1512 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
24052 |
38.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.120 |
23 |
|
[MG]A:1510 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
8 |
23753 |
38.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.120 |
Average: |
38.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.120 |
17 |
24 |
|
[TDL]B:1616 |
4 |
1 |
671 |
f |
[MG]B:1512 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.099 |
25 |
|
[TDL]A:1611 |
5 |
1 |
674 |
f |
[MG]A:1510 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.099 |
Average: |
30.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.099 |
18 |
26 |
|
[FAD]A:1614 |
2 |
1 |
1000 |
f |
[TDL]A:1611 |
x,y,z |
1_555 |
2 |
1 |
674 |
23.9 |
-0.8 |
0.420 |
0 |
0 |
0 |
0.015 |
27 |
|
[FAD]B:1617 |
1 |
1 |
997 |
f |
[TDL]B:1616 |
x,y,z |
1_555 |
2 |
1 |
671 |
23.4 |
-0.8 |
0.322 |
0 |
0 |
0 |
0.015 |
Average: |
23.7 |
-0.8 |
0.371 |
0 |
0 |
0 |
0.015 |
|