## |
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 |
127 |
37 |
8227 |
◊ |
B |
x,y,z |
1_555 |
124 |
36 |
8062 |
1231.3 |
-18.7 |
0.045 |
13 |
9 |
0 |
0.323 |
2 |
|
B |
132 |
39 |
8062 |
◊ |
A |
x,y,z |
1_555 |
122 |
35 |
8170 |
1229.2 |
-18.3 |
0.067 |
13 |
9 |
0 |
0.323 |
3 |
|
C |
123 |
35 |
8227 |
◊ |
A |
x,y,z |
1_555 |
127 |
37 |
8170 |
1212.0 |
-18.3 |
0.061 |
16 |
9 |
0 |
0.323 |
Average: |
1224.2 |
-18.4 |
0.058 |
14 |
9 |
0 |
0.323 |
2 |
4 |
|
A |
68 |
17 |
8170 |
◊ |
C |
-y+1,x-y+1,z-1/3 |
2_664 |
65 |
15 |
8227 |
581.1 |
-1.5 |
0.677 |
11 |
0 |
0 |
0.068 |
3 |
5 |
|
C |
48 |
12 |
8227 |
◊ |
B |
-y,x-y,z-1/3 |
2_554 |
48 |
12 |
8062 |
445.7 |
-1.5 |
0.610 |
5 |
0 |
0 |
0.000 |
4 |
6 |
|
A |
33 |
8 |
8170 |
◊ |
B |
x,y,z-1 |
1_554 |
36 |
10 |
8062 |
310.6 |
-0.2 |
0.710 |
4 |
3 |
0 |
0.000 |
5 |
7 |
|
[1PE]A:205 |
15 |
1 |
441 |
f |
A |
x,y,z |
1_555 |
29 |
12 |
8170 |
233.7 |
0.7 |
0.653 |
2 |
0 |
0 |
0.002 |
6 |
8 |
|
[1PE]C:215 |
15 |
1 |
419 |
f |
C |
x,y,z |
1_555 |
23 |
9 |
8227 |
206.0 |
0.5 |
0.647 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
[SO4]B:210 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
8062 |
111.9 |
-16.1 |
0.772 |
7 |
0 |
0 |
0.080 |
8 |
10 |
|
[SO4]A:204 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
8170 |
111.2 |
-16.7 |
0.784 |
8 |
0 |
0 |
0.217 |
9 |
11 |
|
[1PE]B:212 |
6 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
8062 |
109.3 |
-0.3 |
0.706 |
2 |
0 |
0 |
0.005 |
10 |
12 |
|
[SO4]C:213 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
8227 |
106.6 |
-16.3 |
0.728 |
4 |
0 |
0 |
0.194 |
11 |
13 |
|
[1PE]C:216 |
7 |
1 |
256 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
8227 |
104.1 |
-1.3 |
0.485 |
1 |
0 |
0 |
0.019 |
12 |
14 |
|
[SO4]B:211 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
8062 |
83.9 |
-11.6 |
0.823 |
3 |
0 |
0 |
0.054 |
13 |
15 |
|
[1PE]A:206 |
6 |
1 |
252 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
8062 |
76.6 |
-0.9 |
0.461 |
1 |
0 |
0 |
0.006 |
14 |
16 |
|
[SO4]A:202 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
8170 |
75.6 |
-8.5 |
0.960 |
3 |
0 |
0 |
0.105 |
15 |
17 |
|
[SO4]C:214 |
5 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
8227 |
74.8 |
-8.0 |
0.967 |
3 |
0 |
0 |
0.100 |
16 |
18 |
|
[SO4]B:209 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
8062 |
71.1 |
-7.5 |
0.964 |
4 |
0 |
0 |
0.038 |
17 |
19 |
|
[SO4]A:202 |
4 |
1 |
185 |
f |
C |
-y+1,x-y+1,z-1/3 |
2_664 |
6 |
3 |
8227 |
65.8 |
-9.3 |
0.692 |
2 |
0 |
0 |
0.109 |
18 |
20 |
|
A |
6 |
3 |
8170 |
f |
[SO4]C:214 |
-y+1,x-y+1,z-1/3 |
2_664 |
4 |
1 |
184 |
65.3 |
-9.1 |
0.712 |
2 |
0 |
0 |
0.108 |
19 |
21 |
|
[1PE]A:206 |
5 |
1 |
252 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8170 |
64.9 |
-1.2 |
0.485 |
0 |
0 |
0 |
0.005 |
20 |
22 |
|
[FE]B:207 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
8062 |
59.8 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.042 |
21 |
23 |
|
[SO4]A:203 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
8227 |
55.0 |
-5.9 |
0.937 |
1 |
0 |
0 |
0.026 |
22 |
24 |
|
[SO4]A:203 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
8062 |
54.5 |
-6.2 |
0.926 |
2 |
0 |
0 |
0.029 |
23 |
25 |
|
[SO4]A:203 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
8170 |
53.1 |
-6.1 |
0.939 |
2 |
0 |
0 |
0.029 |
24 |
26 |
|
[NI]A:201 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
8170 |
52.4 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.095 |
25 |
27 |
|
[NI]B:208 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
8062 |
42.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.022 |
26 |
28 |
|
[FE]B:207 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
8170 |
40.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.018 |
27 |
29 |
|
A |
3 |
1 |
8170 |
◊ |
[1PE]C:215 |
-y+1,x-y+1,z-1/3 |
2_664 |
6 |
1 |
419 |
38.2 |
0.7 |
0.715 |
0 |
0 |
0 |
0.000 |
28 |
30 |
|
[1PE]A:205 |
3 |
1 |
441 |
◊ |
C |
-y+1,x-y+1,z-1/3 |
2_664 |
4 |
1 |
8227 |
35.1 |
1.2 |
0.807 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
[NI]A:201 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
8227 |
29.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.013 |
30 |
32 |
|
[1PE]B:212 |
4 |
1 |
257 |
f |
[SO4]B:209 |
x,y,z |
1_555 |
3 |
1 |
185 |
26.7 |
-3.4 |
0.876 |
0 |
0 |
0 |
0.014 |
31 |
33 |
|
C |
2 |
1 |
8227 |
x |
C |
-y+1,x-y+1,z-1/3 |
2_664 |
3 |
1 |
8227 |
20.1 |
0.0 |
0.557 |
0 |
0 |
0 |
0.000 |
34 |
|
A |
3 |
1 |
8170 |
x |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
3 |
1 |
8062 |
14.9 |
-0.3 |
0.470 |
0 |
0 |
0 |
0.000 |
Average: |
17.5 |
-0.1 |
0.514 |
0 |
0 |
0 |
0.000 |
32 |
35 |
|
[1PE]C:216 |
2 |
1 |
256 |
◊ |
B |
-y,x-y,z-1/3 |
2_554 |
3 |
1 |
8062 |
18.7 |
-0.5 |
0.450 |
0 |
0 |
0 |
0.000 |
33 |
36 |
|
[NI]B:208 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8227 |
14.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.007 |
34 |
37 |
|
C |
3 |
1 |
8227 |
◊ |
[SO4]B:211 |
-y,x-y,z-1/3 |
2_554 |
2 |
1 |
185 |
13.3 |
-1.8 |
0.660 |
0 |
0 |
0 |
0.000 |
35 |
38 |
|
[SO4]A:204 |
1 |
1 |
185 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
8062 |
7.9 |
-1.1 |
0.575 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
[SO4]C:214 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8062 |
4.4 |
-0.5 |
0.867 |
0 |
0 |
0 |
0.000 |
37 |
40 |
|
[1PE]A:205 |
1 |
1 |
441 |
f |
[NI]A:201 |
x,y,z |
1_555 |
1 |
1 |
115 |
3.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
38 |
41 |
|
[SO4]A:202 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8227 |
2.8 |
-0.3 |
0.855 |
0 |
0 |
0 |
0.000 |
|