## |
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 |
413 |
94 |
16397 |
◊ |
A |
x,y,z |
1_555 |
435 |
98 |
21754 |
4170.9 |
-52.8 |
0.006 |
56 |
11 |
0 |
0.673 |
2 |
2 |
|
C |
139 |
31 |
5037 |
◊ |
A |
x,y,z |
1_555 |
150 |
42 |
21754 |
1386.8 |
-13.9 |
0.095 |
18 |
4 |
0 |
0.422 |
3 |
3 |
|
B |
82 |
21 |
16397 |
◊ |
B |
y,x,-z |
4_555 |
82 |
21 |
16397 |
799.6 |
1.3 |
0.810 |
14 |
6 |
0 |
0.000 |
4 |
4 |
|
A |
44 |
13 |
21754 |
◊ |
A |
y,x,-z |
4_555 |
42 |
13 |
21754 |
463.4 |
-2.6 |
0.506 |
4 |
6 |
0 |
0.000 |
5 |
5 |
|
B |
31 |
7 |
16397 |
◊ |
A |
-y-1,x-y-1,z+1/3 |
2_445 |
25 |
7 |
21754 |
218.8 |
-2.0 |
0.418 |
1 |
0 |
0 |
0.000 |
6 |
6 |
|
C |
18 |
5 |
5037 |
◊ |
C |
-x,-x+y,-z+1/3 |
6_555 |
18 |
5 |
5037 |
171.7 |
0.4 |
0.689 |
2 |
0 |
0 |
0.000 |
7 |
7 |
|
B |
19 |
7 |
16397 |
◊ |
C |
x-y-1,-y-1,-z+2/3 |
5_445 |
18 |
6 |
5037 |
138.8 |
-2.2 |
0.325 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
[EDO]A:502 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
30 |
13 |
21754 |
96.6 |
1.8 |
0.593 |
2 |
0 |
0 |
0.000 |
9 |
9 |
|
B |
5 |
1 |
16397 |
◊ |
A |
x,y,z-1 |
1_554 |
12 |
5 |
21754 |
80.8 |
1.8 |
0.830 |
1 |
3 |
0 |
0.000 |
10 |
10 |
|
[SO4]B:331 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
16397 |
62.4 |
-6.9 |
0.947 |
2 |
0 |
0 |
0.100 |
11 |
11 |
|
[FE]A:499 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
21754 |
43.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.281 |
12 |
|
[FE]A:500 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
21754 |
42.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.281 |
Average: |
42.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.281 |
12 |
13 |
|
B |
3 |
3 |
16397 |
◊ |
C |
-y-1,x-y-1,z+1/3 |
2_445 |
4 |
2 |
5037 |
32.2 |
0.1 |
0.487 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
C |
7 |
2 |
5037 |
◊ |
A |
-x,-x+y,-z+1/3 |
6_555 |
3 |
1 |
21754 |
31.7 |
0.6 |
0.702 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
B |
2 |
2 |
16397 |
◊ |
A |
y,x,-z |
4_555 |
6 |
2 |
21754 |
29.2 |
0.4 |
0.644 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[OH]A:501 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
21754 |
25.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.048 |
16 |
17 |
|
[EDO]A:502 |
2 |
1 |
188 |
f |
[FE]A:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.063 |
18 |
|
[EDO]A:502 |
3 |
1 |
188 |
f |
[FE]A:499 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
22.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.063 |
17 |
19 |
|
[FE]A:500 |
1 |
1 |
137 |
f |
[FE]A:499 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.084 |
18 |
20 |
|
[OH]A:501 |
1 |
1 |
99 |
f |
[FE]A:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
20.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.056 |
19 |
21 |
|
[OH]A:501 |
1 |
1 |
99 |
f |
[FE]A:499 |
x,y,z |
1_555 |
1 |
1 |
137 |
19.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.056 |
20 |
22 |
|
[EDO]A:502 |
1 |
1 |
188 |
f |
[OH]A:501 |
x,y,z |
1_555 |
1 |
1 |
99 |
11.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
|