## |
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 |
|
G |
121 |
35 |
19233 |
◊ |
E |
x,y,z |
1_555 |
114 |
38 |
14837 |
1125.6 |
-4.0 |
0.273 |
18 |
5 |
0 |
0.304 |
2 |
|
B |
114 |
37 |
14734 |
◊ |
A |
x,y,z |
1_555 |
115 |
35 |
19513 |
1103.6 |
-6.6 |
0.174 |
18 |
5 |
0 |
0.304 |
Average: |
1114.6 |
-5.3 |
0.223 |
18 |
5 |
0 |
0.304 |
2 |
3 |
|
H |
84 |
21 |
4814 |
◊ |
G |
x,y,z |
1_555 |
81 |
28 |
19233 |
793.0 |
0.9 |
0.767 |
12 |
6 |
0 |
0.101 |
4 |
|
C |
84 |
21 |
4803 |
◊ |
A |
x,y,z |
1_555 |
81 |
29 |
19513 |
784.0 |
-1.2 |
0.650 |
16 |
7 |
0 |
0.101 |
Average: |
788.5 |
-0.2 |
0.708 |
14 |
7 |
0 |
0.101 |
3 |
5 |
|
E |
65 |
20 |
14837 |
◊ |
A |
x,y,z |
1_555 |
64 |
20 |
19513 |
557.6 |
-1.2 |
0.406 |
5 |
0 |
0 |
0.057 |
6 |
|
G |
52 |
16 |
19233 |
◊ |
B |
x,y,z |
1_555 |
58 |
20 |
14734 |
521.0 |
-1.1 |
0.400 |
5 |
0 |
0 |
0.057 |
Average: |
539.3 |
-1.1 |
0.403 |
5 |
0 |
0 |
0.057 |
4 |
7 |
|
G |
57 |
18 |
19233 |
◊ |
A |
x,y,z |
1_555 |
62 |
18 |
19513 |
556.1 |
-0.3 |
0.532 |
4 |
4 |
0 |
0.022 |
5 |
8 |
|
C |
62 |
15 |
4803 |
◊ |
B |
x-y,x-1,z-1/6 |
2_544 |
57 |
20 |
14734 |
541.8 |
-5.3 |
0.267 |
2 |
2 |
0 |
0.000 |
6 |
9 |
|
E |
53 |
16 |
14837 |
◊ |
B |
x-y,x-1,z-1/6 |
2_544 |
62 |
20 |
14734 |
484.3 |
0.6 |
0.591 |
8 |
3 |
0 |
0.000 |
7 |
10 |
|
A |
57 |
13 |
19513 |
x |
A |
x-y,x,z-1/6 |
2_554 |
46 |
13 |
19513 |
470.4 |
1.5 |
0.647 |
7 |
1 |
0 |
0.000 |
8 |
11 |
|
G |
53 |
13 |
19233 |
x |
G |
x-y,x-1,z-1/6 |
2_544 |
45 |
13 |
19233 |
456.7 |
-1.1 |
0.486 |
3 |
0 |
0 |
0.000 |
9 |
12 |
|
H |
43 |
13 |
4814 |
◊ |
B |
x,y,z |
1_555 |
54 |
18 |
14734 |
437.5 |
-5.4 |
0.182 |
4 |
0 |
0 |
0.049 |
10 |
13 |
|
B |
38 |
11 |
14734 |
◊ |
E |
x-y,x,z-1/6 |
2_554 |
47 |
17 |
14837 |
404.7 |
-0.4 |
0.494 |
6 |
3 |
0 |
0.000 |
11 |
14 |
|
C |
34 |
11 |
4803 |
◊ |
E |
x,y,z |
1_555 |
48 |
17 |
14837 |
373.1 |
-4.4 |
0.222 |
4 |
0 |
0 |
0.042 |
12 |
15 |
|
H |
19 |
6 |
4814 |
◊ |
E |
x-y,x,z-1/6 |
2_554 |
23 |
9 |
14837 |
201.4 |
0.4 |
0.621 |
1 |
1 |
0 |
0.000 |
13 |
16 |
|
C |
13 |
4 |
4803 |
◊ |
E |
-y,x-y-1,z-1/3 |
3_544 |
17 |
6 |
14837 |
146.5 |
-3.2 |
0.099 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
[SO4]B:1337 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
14734 |
103.4 |
-14.8 |
0.794 |
2 |
0 |
0 |
0.237 |
15 |
18 |
|
[SO4]E:1336 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
18 |
7 |
14837 |
102.7 |
-13.2 |
0.903 |
5 |
0 |
0 |
0.366 |
16 |
19 |
|
B |
10 |
4 |
14734 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
12 |
4 |
19513 |
95.7 |
0.7 |
0.648 |
1 |
0 |
0 |
0.000 |
20 |
|
E |
7 |
3 |
14837 |
◊ |
G |
x-y,x-1,z-1/6 |
2_544 |
3 |
3 |
19233 |
50.1 |
0.4 |
0.706 |
0 |
0 |
0 |
0.000 |
Average: |
72.9 |
0.5 |
0.677 |
1 |
0 |
0 |
0.000 |
17 |
21 |
|
[SO4]B:1336 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
14734 |
67.3 |
-8.3 |
0.709 |
2 |
0 |
0 |
0.140 |
18 |
22 |
|
[SO4]A:1418 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
19513 |
66.4 |
-8.2 |
0.675 |
3 |
0 |
0 |
0.145 |
19 |
23 |
|
[SO4]E:1335 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
7 |
3 |
14837 |
61.0 |
-7.8 |
0.870 |
2 |
0 |
0 |
0.208 |
20 |
24 |
|
[FE]A:501 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
19513 |
56.9 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.171 |
21 |
25 |
|
[FE]G:501 |
1 |
1 |
137 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
14837 |
25.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.122 |
26 |
|
[FE]C:501 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
19513 |
24.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.122 |
27 |
|
[FE]A:501 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
14734 |
23.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.122 |
28 |
|
[FE]H:501 |
1 |
1 |
137 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
19233 |
22.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.122 |
Average: |
23.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.122 |
22 |
29 |
|
A |
2 |
1 |
19513 |
◊ |
E |
-y,x-y-1,z-1/3 |
3_544 |
3 |
1 |
14837 |
20.3 |
0.3 |
0.753 |
1 |
0 |
0 |
0.000 |
|