## |
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 |
|
D |
243 |
72 |
16901 |
◊ |
C |
x,y,z |
1_555 |
197 |
47 |
8850 |
2038.7 |
-27.8 |
0.010 |
20 |
3 |
0 |
0.308 |
2 |
|
B |
233 |
69 |
16977 |
◊ |
A |
x,y,z |
1_555 |
197 |
47 |
9111 |
2033.1 |
-29.2 |
0.009 |
20 |
4 |
0 |
0.308 |
Average: |
2035.9 |
-28.5 |
0.009 |
20 |
4 |
0 |
0.308 |
2 |
3 |
|
B |
75 |
22 |
16977 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
74 |
22 |
16901 |
769.5 |
-12.5 |
0.017 |
2 |
4 |
0 |
0.093 |
3 |
4 |
|
D |
48 |
11 |
16901 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
49 |
13 |
16977 |
438.5 |
-3.2 |
0.242 |
4 |
3 |
0 |
0.000 |
4 |
5 |
|
[FMN]D:502 |
31 |
1 |
615 |
f |
D |
x,y,z |
1_555 |
68 |
26 |
16901 |
425.7 |
-6.8 |
0.488 |
10 |
0 |
0 |
0.148 |
6 |
|
[FMN]B:502 |
31 |
1 |
612 |
f |
B |
x,y,z |
1_555 |
61 |
24 |
16977 |
417.8 |
-6.8 |
0.512 |
9 |
0 |
0 |
0.148 |
Average: |
421.7 |
-6.8 |
0.500 |
10 |
0 |
0 |
0.148 |
5 |
7 |
|
D |
36 |
12 |
16901 |
◊ |
B |
x,y,z |
1_555 |
32 |
10 |
16977 |
334.3 |
1.0 |
0.717 |
1 |
0 |
0 |
0.000 |
8 |
|
D |
32 |
10 |
16901 |
◊ |
B |
x-1,y,z |
1_455 |
35 |
10 |
16977 |
282.3 |
-1.5 |
0.438 |
1 |
0 |
0 |
0.000 |
Average: |
308.3 |
-0.2 |
0.577 |
1 |
0 |
0 |
0.000 |
6 |
9 |
|
D |
44 |
11 |
16901 |
◊ |
A |
x-1,y,z |
1_455 |
38 |
10 |
9111 |
332.6 |
2.3 |
0.835 |
5 |
3 |
0 |
0.000 |
10 |
|
B |
38 |
11 |
16977 |
◊ |
C |
x,y,z |
1_555 |
38 |
10 |
8850 |
328.1 |
3.0 |
0.868 |
8 |
6 |
0 |
0.000 |
Average: |
330.4 |
2.6 |
0.852 |
7 |
5 |
0 |
0.000 |
7 |
11 |
|
A |
25 |
9 |
9111 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
26 |
8 |
16977 |
208.4 |
-0.7 |
0.559 |
4 |
0 |
0 |
0.000 |
8 |
12 |
|
[SF4]D:501 |
8 |
1 |
311 |
f |
D |
x,y,z |
1_555 |
26 |
14 |
16901 |
182.3 |
-21.0 |
0.349 |
0 |
0 |
0 |
0.285 |
13 |
|
[SF4]B:501 |
8 |
1 |
312 |
f |
B |
x,y,z |
1_555 |
24 |
13 |
16977 |
179.0 |
-20.8 |
0.339 |
2 |
0 |
0 |
0.285 |
Average: |
180.7 |
-20.9 |
0.344 |
1 |
0 |
0 |
0.285 |
9 |
14 |
|
[FES]C:201 |
4 |
1 |
236 |
f |
C |
x,y,z |
1_555 |
16 |
10 |
8850 |
112.8 |
-14.5 |
0.569 |
3 |
0 |
0 |
0.132 |
10 |
15 |
|
[FES]A:200 |
4 |
1 |
234 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
9111 |
111.7 |
-14.3 |
0.592 |
3 |
0 |
0 |
0.114 |
11 |
16 |
|
[CL]B:505 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
16977 |
84.1 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.148 |
17 |
|
[CL]D:503 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
20 |
11 |
16901 |
81.7 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.148 |
Average: |
82.9 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.148 |
12 |
18 |
|
D |
12 |
5 |
16901 |
x |
D |
x-1,y,z |
1_455 |
8 |
3 |
16901 |
83.3 |
0.0 |
0.607 |
1 |
0 |
0 |
0.000 |
19 |
|
B |
12 |
4 |
16977 |
x |
B |
x-1,y,z |
1_455 |
10 |
4 |
16977 |
74.1 |
0.1 |
0.587 |
0 |
0 |
0 |
0.000 |
Average: |
78.7 |
0.1 |
0.597 |
1 |
0 |
0 |
0.000 |
13 |
20 |
|
[SO4]B:504 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
16977 |
79.1 |
-10.2 |
0.871 |
1 |
0 |
0 |
0.078 |
14 |
21 |
|
[SO4]B:503 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
16977 |
76.5 |
-10.8 |
0.782 |
2 |
0 |
0 |
0.086 |
15 |
22 |
|
[SO4]B:503 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
16901 |
69.5 |
-8.5 |
0.919 |
3 |
0 |
0 |
0.000 |
16 |
23 |
|
[NA]B:506 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
16977 |
64.9 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.162 |
24 |
|
[NA]D:504 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
8 |
16901 |
64.3 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.162 |
Average: |
64.6 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.162 |
17 |
25 |
|
[CL]C:202 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
8850 |
63.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.066 |
18 |
26 |
|
D |
8 |
3 |
16901 |
◊ |
[SO4]B:504 |
x-1,y,z |
1_455 |
4 |
1 |
183 |
61.1 |
-8.5 |
0.663 |
1 |
0 |
0 |
0.000 |
19 |
27 |
|
D |
5 |
3 |
16901 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
7 |
4 |
16977 |
46.9 |
-0.4 |
0.490 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[FES]C:201 |
2 |
1 |
236 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
16901 |
30.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.026 |
21 |
29 |
|
[FES]A:200 |
2 |
1 |
234 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
16977 |
30.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.023 |
22 |
30 |
|
[FMN]B:502 |
1 |
1 |
612 |
f |
[SF4]B:501 |
x,y,z |
1_555 |
2 |
1 |
312 |
10.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.010 |
31 |
|
[FMN]D:502 |
1 |
1 |
615 |
f |
[SF4]D:501 |
x,y,z |
1_555 |
2 |
1 |
311 |
8.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
9.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.010 |
23 |
32 |
|
A |
1 |
1 |
9111 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
8850 |
9.2 |
0.2 |
0.787 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[NA]D:504 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
8850 |
5.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.005 |
34 |
|
[NA]B:506 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9111 |
4.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
4.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.005 |
25 |
35 |
|
[SF4]B:501 |
1 |
1 |
312 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
16901 |
2.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
36 |
|
B |
1 |
1 |
16977 |
◊ |
[SF4]D:501 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
311 |
1.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
|