## |
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 |
118 |
30 |
16833 |
◊ |
B |
x,y,z |
1_555 |
111 |
28 |
16922 |
1106.3 |
-10.3 |
0.157 |
21 |
9 |
0 |
0.396 |
2 |
|
C |
108 |
27 |
16833 |
◊ |
A |
x,y,z |
1_555 |
112 |
29 |
16815 |
1075.1 |
-11.2 |
0.122 |
18 |
10 |
0 |
0.396 |
3 |
|
B |
116 |
29 |
16922 |
◊ |
A |
x,y,z |
1_555 |
109 |
27 |
16815 |
1066.3 |
-11.2 |
0.128 |
20 |
10 |
0 |
0.396 |
Average: |
1082.6 |
-10.9 |
0.136 |
20 |
10 |
0 |
0.396 |
2 |
4 |
|
C |
81 |
26 |
16833 |
◊ |
B |
-y+1,x-y,z-1/3 |
2_654 |
82 |
24 |
16922 |
686.1 |
3.1 |
0.896 |
11 |
2 |
0 |
0.000 |
3 |
5 |
|
C |
51 |
12 |
16833 |
◊ |
C |
y,x,-z+1 |
4_556 |
52 |
13 |
16833 |
428.3 |
-7.5 |
0.114 |
2 |
0 |
0 |
0.073 |
6 |
|
B |
49 |
14 |
16922 |
◊ |
A |
y,x,-z+1 |
4_556 |
47 |
12 |
16815 |
419.6 |
-7.5 |
0.094 |
2 |
0 |
0 |
0.073 |
Average: |
424.0 |
-7.5 |
0.104 |
2 |
0 |
0 |
0.073 |
4 |
7 |
|
A |
49 |
20 |
16815 |
◊ |
A |
-x+2,-x+y+1,-z+2/3 |
6_765 |
50 |
20 |
16815 |
400.3 |
0.2 |
0.745 |
2 |
4 |
0 |
0.000 |
5 |
8 |
|
[CFF]C:402 |
14 |
1 |
340 |
f |
C |
x,y,z |
1_555 |
38 |
18 |
16833 |
255.2 |
-0.4 |
0.305 |
0 |
0 |
0 |
0.001 |
9 |
|
[CFF]A:402 |
14 |
1 |
339 |
f |
A |
x,y,z |
1_555 |
39 |
20 |
16815 |
252.5 |
1.3 |
0.530 |
0 |
0 |
0 |
0.001 |
10 |
|
[CFF]B:402 |
14 |
1 |
341 |
f |
B |
x,y,z |
1_555 |
41 |
19 |
16922 |
252.2 |
-0.1 |
0.350 |
0 |
0 |
0 |
0.001 |
Average: |
253.3 |
0.2 |
0.395 |
0 |
0 |
0 |
0.001 |
6 |
11 |
|
[FES]B:400 |
4 |
1 |
236 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
16922 |
121.8 |
-16.0 |
0.628 |
2 |
0 |
0 |
0.106 |
7 |
12 |
|
[FES]A:400 |
4 |
1 |
235 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
16815 |
121.0 |
-16.0 |
0.633 |
2 |
0 |
0 |
0.106 |
8 |
13 |
|
[FES]C:400 |
4 |
1 |
235 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
16833 |
120.7 |
-16.0 |
0.642 |
2 |
0 |
0 |
0.106 |
9 |
14 |
|
[FE]C:401 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
10 |
8 |
16833 |
66.6 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.255 |
15 |
|
[FE]A:401 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
8 |
16815 |
66.3 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.255 |
16 |
|
[FE]B:401 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
16922 |
66.1 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.255 |
Average: |
66.3 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.255 |
10 |
17 |
|
C |
3 |
1 |
16833 |
◊ |
B |
x-y,-y+1,-z+4/3 |
5_566 |
3 |
2 |
16922 |
33.2 |
-0.1 |
0.546 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
C |
1 |
1 |
16833 |
x |
C |
-y+1,x-y,z-1/3 |
2_654 |
4 |
1 |
16833 |
32.8 |
0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
19 |
|
A |
3 |
1 |
16815 |
x |
B |
-y+1,x-y,z-1/3 |
2_654 |
1 |
1 |
16922 |
23.5 |
-0.0 |
0.523 |
0 |
0 |
0 |
0.000 |
Average: |
28.2 |
0.1 |
0.550 |
0 |
0 |
0 |
0.000 |
12 |
20 |
|
[CFF]A:402 |
4 |
1 |
339 |
f |
[FE]A:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
16.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.027 |
21 |
|
[CFF]B:402 |
4 |
1 |
341 |
f |
[FE]B:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
15.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.027 |
22 |
|
[CFF]C:402 |
4 |
1 |
340 |
f |
[FE]C:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
14.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
15.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.027 |
13 |
23 |
|
[FES]C:400 |
1 |
1 |
235 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
16815 |
8.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
14 |
24 |
|
[FES]B:400 |
1 |
1 |
236 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
16833 |
8.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
15 |
25 |
|
[FES]A:400 |
1 |
1 |
235 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16922 |
7.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
16 |
26 |
|
[FE]C:401 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16922 |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
27 |
|
[FE]B:401 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16815 |
1.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
28 |
|
[FE]A:401 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16833 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
1.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
|