## |
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 |
|
C |
137 |
35 |
9993 |
◊ |
B |
x,y,z |
1_555 |
136 |
35 |
10051 |
1287.6 |
-8.2 |
0.244 |
25 |
5 |
0 |
0.362 |
2 |
|
D |
134 |
34 |
10018 |
◊ |
A |
x,y,z |
1_555 |
137 |
35 |
9836 |
1263.5 |
-9.1 |
0.207 |
23 |
8 |
0 |
0.362 |
Average: |
1275.6 |
-8.6 |
0.225 |
24 |
7 |
0 |
0.362 |
2 |
3 |
|
D |
38 |
13 |
10018 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
40 |
13 |
9836 |
392.7 |
1.6 |
0.743 |
9 |
6 |
0 |
0.000 |
4 |
|
C |
39 |
13 |
9993 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
37 |
12 |
10051 |
391.4 |
1.9 |
0.767 |
11 |
6 |
0 |
0.000 |
Average: |
392.1 |
1.7 |
0.755 |
10 |
6 |
0 |
0.000 |
3 |
5 |
|
D |
26 |
9 |
10018 |
◊ |
C |
x,y,z |
1_555 |
27 |
10 |
9993 |
218.9 |
0.8 |
0.613 |
2 |
3 |
0 |
0.000 |
4 |
6 |
|
D |
25 |
9 |
10018 |
◊ |
A |
-y,-x,-z-1/6 |
10_554 |
26 |
8 |
9836 |
197.2 |
0.1 |
0.537 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
D |
21 |
6 |
10018 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
19 |
9 |
10051 |
191.0 |
1.5 |
0.684 |
3 |
3 |
0 |
0.000 |
6 |
8 |
|
C |
18 |
7 |
9993 |
◊ |
C |
-x,-x+y,-z-1/3 |
9_554 |
18 |
7 |
9993 |
144.9 |
0.4 |
0.637 |
2 |
0 |
0 |
0.010 |
7 |
9 |
|
B |
17 |
4 |
10051 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
9836 |
132.8 |
0.1 |
0.283 |
1 |
0 |
0 |
0.000 |
8 |
10 |
|
B |
13 |
5 |
10051 |
◊ |
C |
-x+1,-x+y,-z-1/3 |
9_654 |
11 |
3 |
9993 |
114.6 |
-0.3 |
0.505 |
1 |
0 |
0 |
0.000 |
9 |
11 |
|
A |
8 |
3 |
9836 |
◊ |
B |
-x+1,-x+y,-z-1/3 |
9_654 |
9 |
3 |
10051 |
97.2 |
1.0 |
0.789 |
1 |
2 |
0 |
0.000 |
10 |
12 |
|
[SCN]C:302 |
3 |
1 |
180 |
f |
C |
x,y,z |
1_555 |
19 |
10 |
9993 |
85.8 |
-3.5 |
0.259 |
2 |
0 |
0 |
0.167 |
11 |
13 |
|
A |
10 |
4 |
9836 |
◊ |
B |
x-y,x-1,z+1/6 |
6_545 |
9 |
2 |
10051 |
85.5 |
0.7 |
0.724 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
A |
10 |
4 |
9836 |
◊ |
C |
x,y-1,z |
1_545 |
12 |
4 |
9993 |
85.4 |
-0.8 |
0.418 |
0 |
3 |
0 |
0.000 |
13 |
15 |
|
A |
8 |
3 |
9836 |
◊ |
C |
-x,-x+y-1,-z-1/3 |
9_544 |
9 |
2 |
9993 |
85.0 |
-0.6 |
0.432 |
1 |
1 |
0 |
0.000 |
14 |
16 |
|
[SCN]D:302 |
3 |
1 |
180 |
f |
D |
x,y,z |
1_555 |
20 |
10 |
10018 |
85.0 |
-3.5 |
0.273 |
2 |
0 |
0 |
0.077 |
15 |
17 |
|
[SCN]A:302 |
3 |
1 |
180 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
9836 |
84.9 |
-3.5 |
0.256 |
2 |
0 |
0 |
0.077 |
16 |
18 |
|
[SCN]B:302 |
3 |
1 |
179 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
10051 |
84.6 |
-3.5 |
0.269 |
2 |
0 |
0 |
0.069 |
17 |
19 |
|
[FE]D:301 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
16 |
10 |
10018 |
62.5 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.423 |
20 |
|
[FE]C:301 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
16 |
10 |
9993 |
62.3 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.423 |
21 |
|
[FE]A:301 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
9836 |
62.0 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.423 |
22 |
|
[FE]B:301 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
10051 |
62.0 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.423 |
Average: |
62.2 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.423 |
18 |
23 |
|
[CL]C:303 |
1 |
1 |
125 |
x |
C |
x,y,z |
1_555 |
8 |
4 |
9993 |
59.7 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.301 |
19 |
24 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
10051 |
51.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.112 |
20 |
25 |
|
B |
5 |
2 |
10051 |
◊ |
D |
-x+1,-x+y,-z-1/3 |
9_654 |
8 |
2 |
10018 |
51.2 |
-0.3 |
0.494 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
A |
7 |
2 |
9836 |
◊ |
A |
-x,-x+y,-z-1/3 |
9_554 |
7 |
2 |
9836 |
43.9 |
2.1 |
0.911 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
D |
3 |
1 |
10018 |
◊ |
C |
-x+1,-x+y,-z-1/3 |
9_654 |
4 |
2 |
9993 |
39.3 |
1.2 |
0.884 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
A |
3 |
2 |
9836 |
◊ |
A |
-y,-x,-z-1/6 |
10_554 |
3 |
2 |
9836 |
38.0 |
0.7 |
0.826 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
[SCN]B:302 |
1 |
1 |
179 |
f |
[FE]B:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
33.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.099 |
30 |
|
[SCN]D:302 |
2 |
1 |
180 |
f |
[FE]D:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
32.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.099 |
31 |
|
[SCN]C:302 |
1 |
1 |
180 |
f |
[FE]C:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
32.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.099 |
32 |
|
[SCN]A:302 |
1 |
1 |
180 |
f |
[FE]A:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
32.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.099 |
Average: |
32.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.099 |
25 |
33 |
|
D |
3 |
1 |
10018 |
◊ |
[CL]B:303 |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
125 |
25.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
D |
3 |
1 |
10018 |
◊ |
D |
-y+1,-x+1,-z-1/6 |
10_664 |
3 |
1 |
10018 |
22.1 |
0.2 |
0.671 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
C |
2 |
2 |
9993 |
◊ |
B |
-x+y,y,-z-1/2 |
11_554 |
2 |
1 |
10051 |
7.4 |
0.2 |
0.718 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
A |
1 |
1 |
9836 |
◊ |
C |
-x+1,-x+y,-z-1/3 |
9_654 |
1 |
1 |
9993 |
6.7 |
0.2 |
0.791 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
D |
1 |
1 |
10018 |
◊ |
B |
-x+1,-x+y,-z-1/3 |
9_654 |
1 |
1 |
10051 |
0.4 |
0.0 |
0.640 |
0 |
0 |
0 |
0.000 |
|