## |
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 |
66 |
21 |
10174 |
◊ |
B |
x,y,z |
1_555 |
62 |
20 |
10131 |
664.2 |
0.4 |
0.675 |
14 |
0 |
0 |
0.000 |
2 |
2 |
|
[BLA]A:3002 |
43 |
1 |
823 |
f |
A |
x,y,z |
1_555 |
67 |
21 |
10048 |
545.7 |
-15.0 |
0.381 |
4 |
0 |
0 |
0.211 |
3 |
|
[BLA]B:601 |
41 |
1 |
811 |
f |
B |
x,y,z |
1_555 |
61 |
21 |
10131 |
519.1 |
-14.3 |
0.270 |
2 |
0 |
0 |
0.211 |
Average: |
532.4 |
-14.6 |
0.325 |
3 |
0 |
0 |
0.211 |
3 |
4 |
|
A |
55 |
20 |
10048 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
65 |
19 |
10048 |
531.2 |
-1.1 |
0.546 |
5 |
2 |
0 |
0.000 |
4 |
5 |
|
B |
44 |
13 |
10131 |
◊ |
A |
x,y,z |
1_555 |
68 |
17 |
10048 |
529.7 |
0.0 |
0.651 |
6 |
3 |
0 |
0.000 |
5 |
6 |
|
A |
54 |
14 |
10048 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
59 |
15 |
10131 |
499.9 |
-1.4 |
0.519 |
8 |
0 |
0 |
0.032 |
6 |
7 |
|
[BLA]C:902 |
41 |
1 |
826 |
f |
C |
x,y,z |
1_555 |
69 |
21 |
10174 |
497.8 |
-13.5 |
0.484 |
3 |
0 |
0 |
0.027 |
7 |
8 |
|
C |
45 |
12 |
10174 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
48 |
17 |
10131 |
458.2 |
-2.8 |
0.351 |
3 |
0 |
0 |
0.000 |
8 |
9 |
|
B |
59 |
14 |
10131 |
◊ |
C |
x-1,y,z |
1_455 |
58 |
14 |
10174 |
455.6 |
-5.5 |
0.206 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
C |
34 |
11 |
10174 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
42 |
12 |
10174 |
362.3 |
-3.3 |
0.252 |
4 |
0 |
0 |
0.000 |
10 |
11 |
|
B |
18 |
8 |
10131 |
◊ |
A |
x-1,y,z |
1_455 |
16 |
4 |
10048 |
161.0 |
0.7 |
0.677 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
[BLA]A:3002 |
11 |
1 |
823 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
18 |
5 |
10048 |
136.3 |
-3.7 |
0.484 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
A |
18 |
8 |
10048 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
11 |
4 |
10131 |
133.5 |
0.9 |
0.732 |
2 |
0 |
0 |
0.000 |
13 |
14 |
|
C |
14 |
5 |
10174 |
x |
C |
-x+2,y-1/2,-z+1 |
2_746 |
14 |
5 |
10174 |
127.3 |
-1.6 |
0.324 |
1 |
0 |
0 |
0.000 |
14 |
15 |
|
[BLA]C:902 |
9 |
1 |
826 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
5 |
10131 |
117.3 |
-3.4 |
0.424 |
1 |
0 |
0 |
0.000 |
15 |
16 |
|
[ASC]C:903 |
11 |
1 |
301 |
f |
[BLA]C:902 |
x,y,z |
1_555 |
20 |
1 |
826 |
103.4 |
1.5 |
0.558 |
3 |
0 |
0 |
0.000 |
16 |
17 |
|
[SO4]B:604 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
10131 |
99.7 |
-13.8 |
0.765 |
2 |
0 |
0 |
0.097 |
17 |
18 |
|
[SO4]B:605 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
10131 |
98.5 |
-12.7 |
0.929 |
5 |
0 |
0 |
0.098 |
18 |
19 |
|
[SO4]A:3003 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
10048 |
90.9 |
-14.1 |
0.584 |
4 |
0 |
0 |
0.105 |
19 |
20 |
|
[SO4]B:602 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
10131 |
89.4 |
-13.2 |
0.641 |
1 |
0 |
0 |
0.090 |
20 |
21 |
|
[ASC]C:903 |
11 |
1 |
301 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
10174 |
86.6 |
0.3 |
0.263 |
2 |
0 |
0 |
0.001 |
21 |
22 |
|
[SO4]B:603 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
10131 |
82.4 |
-12.3 |
0.656 |
3 |
0 |
0 |
0.090 |
22 |
23 |
|
[SO4]C:904 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
10174 |
82.1 |
-12.5 |
0.670 |
3 |
0 |
0 |
0.025 |
23 |
24 |
|
[SO4]C:905 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
10174 |
80.3 |
-11.8 |
0.677 |
2 |
0 |
0 |
0.023 |
24 |
25 |
|
[SO4]B:606 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
10131 |
78.9 |
-10.2 |
0.663 |
2 |
0 |
0 |
0.073 |
25 |
26 |
|
A |
12 |
6 |
10048 |
f |
[SO4]B:606 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
186 |
72.0 |
-10.5 |
0.614 |
3 |
0 |
0 |
0.078 |
26 |
27 |
|
[FE]A:3001 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
10048 |
57.1 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.043 |
28 |
|
[FE]C:901 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
10174 |
42.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
49.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.043 |
27 |
29 |
|
[ASC]C:903 |
5 |
1 |
301 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
10131 |
51.0 |
0.5 |
0.364 |
2 |
0 |
0 |
0.000 |
28 |
30 |
|
[BLA]A:3002 |
12 |
1 |
823 |
cf |
[FE]A:3001 |
x,y,z |
1_555 |
1 |
1 |
137 |
48.8 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.054 |
31 |
|
[BLA]C:902 |
14 |
1 |
826 |
f |
[FE]C:901 |
x,y,z |
1_555 |
1 |
1 |
137 |
42.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.054 |
Average: |
45.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.054 |
29 |
32 |
|
A |
3 |
1 |
10048 |
◊ |
[BLA]B:601 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
811 |
40.9 |
-1.1 |
0.342 |
0 |
0 |
0 |
0.007 |
30 |
33 |
|
[ASC]C:903 |
5 |
1 |
301 |
f |
[FE]C:901 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.003 |
31 |
34 |
|
[SO4]B:605 |
2 |
1 |
184 |
f |
[BLA]B:601 |
x,y,z |
1_555 |
3 |
1 |
811 |
19.8 |
-3.0 |
0.800 |
0 |
0 |
0 |
0.020 |
32 |
35 |
|
C |
1 |
1 |
10174 |
x |
C |
x-1,y,z |
1_455 |
1 |
1 |
10174 |
7.4 |
0.4 |
0.859 |
0 |
0 |
0 |
0.000 |
33 |
36 |
|
[SO4]B:606 |
2 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
10048 |
7.1 |
-0.7 |
0.855 |
0 |
0 |
0 |
0.000 |
|