## |
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 |
73 |
23 |
10531 |
x |
B |
-x-1/2,y-1/2,-z+1 |
4_446 |
63 |
24 |
10531 |
615.2 |
0.1 |
0.661 |
9 |
0 |
0 |
0.000 |
2 |
|
A |
67 |
18 |
10352 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
57 |
19 |
10352 |
582.3 |
1.4 |
0.665 |
9 |
4 |
0 |
0.000 |
Average: |
598.8 |
0.7 |
0.663 |
9 |
2 |
0 |
0.000 |
2 |
3 |
|
[HEM]B:902 |
43 |
1 |
801 |
f |
B |
x,y,z |
1_555 |
66 |
21 |
10531 |
554.5 |
-17.4 |
0.477 |
2 |
0 |
0 |
0.019 |
3 |
4 |
|
[HEM]A:901 |
43 |
1 |
820 |
cf |
A |
x,y,z |
1_555 |
70 |
22 |
10352 |
549.6 |
-17.5 |
0.444 |
3 |
0 |
0 |
0.024 |
4 |
5 |
|
A |
49 |
13 |
10352 |
◊ |
B |
x-1/2,y-1/2,z-1 |
3_444 |
48 |
14 |
10531 |
409.5 |
0.9 |
0.661 |
7 |
8 |
0 |
0.000 |
5 |
6 |
|
B |
44 |
13 |
10531 |
◊ |
A |
-x,y,-z+1 |
2_556 |
44 |
12 |
10352 |
377.4 |
-1.4 |
0.472 |
3 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
38 |
14 |
10352 |
◊ |
B |
-x-1/2,y-1/2,-z+1 |
4_446 |
33 |
12 |
10531 |
369.1 |
-0.6 |
0.532 |
2 |
2 |
0 |
0.000 |
7 |
8 |
|
B |
29 |
9 |
10531 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
36 |
12 |
10352 |
346.1 |
-0.1 |
0.585 |
6 |
4 |
0 |
0.000 |
8 |
9 |
|
B |
25 |
8 |
10531 |
◊ |
A |
-x-1,y,-z |
2_455 |
29 |
8 |
10352 |
215.9 |
0.2 |
0.559 |
4 |
0 |
0 |
0.000 |
9 |
10 |
|
A |
22 |
5 |
10352 |
◊ |
[HEM]A:901 |
-x-1/2,y-1/2,-z |
4_445 |
11 |
1 |
820 |
138.8 |
-4.4 |
0.462 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
B |
19 |
5 |
10531 |
◊ |
[HEM]B:902 |
-x-1/2,y-1/2,-z+1 |
4_446 |
7 |
1 |
801 |
120.9 |
-3.4 |
0.467 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
B |
15 |
6 |
10531 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
10352 |
107.2 |
-0.2 |
0.542 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
[SO4]A:1001 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
10352 |
98.7 |
-13.9 |
0.632 |
1 |
0 |
0 |
0.018 |
13 |
14 |
|
[SO4]B:1007 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
10531 |
91.8 |
-13.1 |
0.528 |
1 |
0 |
0 |
0.014 |
14 |
15 |
|
[SO4]B:1009 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
10531 |
90.0 |
-14.1 |
0.769 |
4 |
0 |
0 |
0.016 |
15 |
16 |
|
[SO4]A:1003 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
10352 |
89.9 |
-11.4 |
0.822 |
2 |
0 |
0 |
0.016 |
16 |
17 |
|
[SO4]A:1004 |
5 |
1 |
185 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
12 |
5 |
10352 |
82.1 |
-8.4 |
0.972 |
1 |
0 |
0 |
0.000 |
17 |
18 |
|
[SO4]A:1005 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
10352 |
82.1 |
-12.3 |
0.657 |
3 |
0 |
0 |
0.018 |
18 |
19 |
|
[SO4]B:1010 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
10531 |
81.5 |
-12.3 |
0.657 |
3 |
0 |
0 |
0.014 |
19 |
20 |
|
[SO4]B:1008 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
10531 |
75.2 |
-10.8 |
0.710 |
0 |
0 |
0 |
0.011 |
20 |
21 |
|
[SO4]B:1002 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
10531 |
71.1 |
-10.1 |
0.566 |
2 |
0 |
0 |
0.011 |
21 |
22 |
|
[SO4]A:1006 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
10352 |
70.8 |
-10.4 |
0.596 |
2 |
0 |
0 |
0.015 |
22 |
23 |
|
A |
10 |
4 |
10352 |
◊ |
[SO4]B:1007 |
-x-1/2,y-1/2,-z+1 |
4_446 |
5 |
1 |
185 |
65.7 |
-8.4 |
0.690 |
1 |
0 |
0 |
0.005 |
23 |
24 |
|
[SO4]B:1011 |
5 |
1 |
185 |
◊ |
B |
-x-1/2,y-1/2,-z+1 |
4_446 |
10 |
5 |
10531 |
64.2 |
-6.6 |
0.950 |
2 |
0 |
0 |
0.000 |
24 |
25 |
|
[SO4]A:1004 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
10352 |
56.9 |
-6.4 |
0.843 |
2 |
0 |
0 |
0.009 |
25 |
26 |
|
[NA]A:3001 |
1 |
1 |
125 |
f |
B |
x-1/2,y-1/2,z-1 |
3_444 |
7 |
4 |
10531 |
55.5 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.008 |
26 |
27 |
|
[SO4]B:1011 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
10531 |
55.2 |
-6.6 |
0.877 |
1 |
0 |
0 |
0.007 |
27 |
28 |
|
[SO4]B:1009 |
4 |
1 |
185 |
◊ |
A |
-x,y,-z+1 |
2_556 |
7 |
2 |
10352 |
42.7 |
-4.6 |
0.743 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
[SO4]A:1003 |
4 |
1 |
185 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
6 |
2 |
10352 |
41.0 |
-4.7 |
0.748 |
1 |
0 |
0 |
0.000 |
29 |
30 |
|
[NA]A:3001 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
10352 |
39.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[SO4]A:1005 |
3 |
1 |
187 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
10531 |
36.0 |
-3.8 |
0.954 |
1 |
0 |
0 |
0.000 |
31 |
32 |
|
A |
7 |
4 |
10352 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
3 |
10531 |
33.3 |
0.4 |
0.671 |
0 |
0 |
0 |
0.000 |
32 |
33 |
|
[SO4]A:1004 |
3 |
1 |
185 |
◊ |
[HEM]A:901 |
-x-1/2,y-1/2,-z |
4_445 |
5 |
1 |
820 |
32.2 |
-5.1 |
0.917 |
0 |
0 |
0 |
0.000 |
33 |
34 |
|
[SO4]B:1011 |
4 |
1 |
185 |
◊ |
[HEM]B:902 |
-x-1/2,y-1/2,-z+1 |
4_446 |
3 |
1 |
801 |
31.0 |
-4.4 |
0.812 |
0 |
0 |
0 |
0.000 |
34 |
35 |
|
A |
3 |
1 |
10352 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
10531 |
17.1 |
0.5 |
0.629 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
B |
3 |
1 |
10531 |
◊ |
[SO4]A:1003 |
x-1/2,y+1/2,z |
3_455 |
4 |
1 |
185 |
13.7 |
-1.0 |
0.862 |
0 |
0 |
0 |
0.000 |
36 |
37 |
|
A |
1 |
1 |
10352 |
◊ |
[SO4]A:1006 |
-x-1/2,y-1/2,-z |
4_445 |
3 |
1 |
186 |
4.3 |
-0.4 |
0.896 |
0 |
0 |
0 |
0.000 |
37 |
38 |
|
[SO4]B:1008 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10352 |
1.8 |
-0.2 |
0.858 |
0 |
0 |
0 |
0.000 |
|