| ## |
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 |
421 |
93 |
15794 |
◊ |
A |
x,y,z |
1_555 |
443 |
96 |
21409 |
4141.8 |
-51.3 |
0.011 |
55 |
10 |
0 |
0.632 |
| 2 |
2 |
|
C |
136 |
32 |
4991 |
◊ |
A |
x,y,z |
1_555 |
144 |
42 |
21409 |
1409.9 |
-12.9 |
0.106 |
18 |
3 |
0 |
0.322 |
| 3 |
3 |
|
B |
81 |
19 |
15794 |
◊ |
B |
-x,-x+y,-z+1/3 |
6_555 |
82 |
19 |
15794 |
804.2 |
1.6 |
0.856 |
12 |
6 |
0 |
0.000 |
| 4 |
4 |
|
A |
47 |
14 |
21409 |
◊ |
A |
-x,-x+y,-z+1/3 |
6_555 |
47 |
14 |
21409 |
469.7 |
-3.2 |
0.465 |
6 |
8 |
0 |
0.000 |
| 5 |
5 |
|
[1PE]A:504 |
16 |
1 |
496 |
f |
A |
x,y,z |
1_555 |
54 |
19 |
21409 |
338.5 |
-3.9 |
0.299 |
0 |
0 |
0 |
0.059 |
| 6 |
6 |
|
A |
26 |
8 |
21409 |
◊ |
B |
-y-1,x-y-1,z+1/3 |
2_445 |
30 |
8 |
15794 |
219.4 |
-1.9 |
0.463 |
1 |
0 |
0 |
0.000 |
| 7 |
7 |
|
C |
20 |
6 |
4991 |
◊ |
C |
y,x,-z |
4_555 |
20 |
6 |
4991 |
170.4 |
0.1 |
0.653 |
2 |
0 |
0 |
0.000 |
| 8 |
8 |
|
C |
18 |
5 |
4991 |
◊ |
B |
x-y-1,-y-1,-z-1/3 |
5_444 |
23 |
8 |
15794 |
168.4 |
-2.5 |
0.285 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[EDO]A:503 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
30 |
14 |
21409 |
91.6 |
2.1 |
0.653 |
4 |
0 |
0 |
0.000 |
| 10 |
10 |
|
A |
7 |
3 |
21409 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
1 |
15794 |
76.9 |
2.4 |
0.945 |
1 |
3 |
0 |
0.000 |
| 11 |
11 |
|
[SO4]A:502 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
21409 |
75.7 |
-10.0 |
0.852 |
0 |
0 |
0 |
0.151 |
| 12 |
12 |
|
[FE]A:500 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
21409 |
41.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.220 |
13 |
|
[FE]A:499 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
21409 |
41.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.220 |
| Average: |
41.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.220 |
| 13 |
14 |
|
C |
4 |
2 |
4991 |
◊ |
B |
-y-1,x-y-1,z+1/3 |
2_445 |
7 |
3 |
15794 |
36.6 |
0.1 |
0.600 |
0 |
0 |
0 |
0.000 |
| 14 |
15 |
|
C |
7 |
2 |
4991 |
◊ |
A |
y,x,-z |
4_555 |
2 |
1 |
21409 |
31.8 |
0.8 |
0.692 |
0 |
0 |
0 |
0.000 |
| 15 |
16 |
|
B |
2 |
2 |
15794 |
◊ |
A |
-x,-x+y,-z+1/3 |
6_555 |
6 |
2 |
21409 |
27.7 |
0.3 |
0.611 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[EDO]A:503 |
3 |
1 |
183 |
f |
[FE]A:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.028 |
| 17 |
18 |
|
[OH]A:501 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
21409 |
24.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.036 |
| 18 |
19 |
|
[EDO]A:503 |
3 |
1 |
183 |
f |
[FE]A:499 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.027 |
| 19 |
20 |
|
[FE]A:500 |
1 |
1 |
137 |
f |
[FE]A:499 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.067 |
| 20 |
21 |
|
[OH]A:501 |
1 |
1 |
99 |
f |
[FE]A:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
19.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.045 |
| 21 |
22 |
|
[OH]A:501 |
1 |
1 |
99 |
f |
[FE]A:499 |
x,y,z |
1_555 |
1 |
1 |
137 |
19.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.044 |
| 22 |
23 |
|
[EDO]A:503 |
2 |
1 |
183 |
f |
[OH]A:501 |
x,y,z |
1_555 |
1 |
1 |
99 |
13.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
|