## |
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 |
95 |
25 |
8140 |
◊ |
A |
x,y,z |
1_555 |
95 |
25 |
7792 |
916.2 |
-9.5 |
0.413 |
9 |
0 |
0 |
0.222 |
2 |
|
D |
95 |
24 |
7960 |
◊ |
C |
x,y,z |
1_555 |
93 |
25 |
7771 |
895.4 |
-9.6 |
0.400 |
10 |
0 |
0 |
0.222 |
Average: |
905.8 |
-9.6 |
0.407 |
10 |
0 |
0 |
0.222 |
2 |
3 |
|
[HEM]C:201 |
43 |
1 |
831 |
f |
C |
x,y,z |
1_555 |
65 |
26 |
7771 |
575.0 |
-19.7 |
0.337 |
0 |
0 |
0 |
0.311 |
4 |
|
[HEM]A:201 |
42 |
1 |
819 |
f |
A |
x,y,z |
1_555 |
63 |
26 |
7792 |
561.0 |
-18.6 |
0.355 |
1 |
0 |
0 |
0.311 |
Average: |
568.0 |
-19.2 |
0.346 |
1 |
0 |
0 |
0.311 |
3 |
5 |
|
[HEM]D:201 |
43 |
1 |
812 |
f |
D |
x,y,z |
1_555 |
62 |
25 |
7960 |
560.3 |
-19.4 |
0.240 |
0 |
0 |
0 |
0.307 |
6 |
|
[HEM]B:201 |
43 |
1 |
806 |
f |
B |
x,y,z |
1_555 |
62 |
24 |
8140 |
554.3 |
-18.6 |
0.349 |
0 |
0 |
0 |
0.307 |
Average: |
557.3 |
-19.0 |
0.294 |
0 |
0 |
0 |
0.307 |
4 |
7 |
|
D |
63 |
16 |
7960 |
◊ |
A |
x,y,z |
1_555 |
55 |
15 |
7792 |
511.2 |
-5.1 |
0.478 |
3 |
0 |
0 |
0.062 |
8 |
|
B |
60 |
14 |
8140 |
◊ |
C |
x,y,z |
1_555 |
59 |
15 |
7771 |
500.4 |
-4.6 |
0.551 |
4 |
0 |
0 |
0.062 |
Average: |
505.8 |
-4.9 |
0.514 |
4 |
0 |
0 |
0.062 |
5 |
9 |
|
C |
43 |
12 |
7771 |
◊ |
A |
x,y,z |
1_555 |
46 |
13 |
7792 |
403.4 |
-1.6 |
0.690 |
4 |
3 |
0 |
0.018 |
6 |
10 |
|
B |
39 |
11 |
8140 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
31 |
10 |
7960 |
319.3 |
-2.6 |
0.497 |
8 |
2 |
0 |
0.008 |
7 |
11 |
|
C |
29 |
9 |
7771 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
34 |
9 |
7792 |
293.0 |
-1.3 |
0.615 |
1 |
0 |
0 |
0.001 |
8 |
12 |
|
A |
15 |
8 |
7792 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
24 |
8 |
7792 |
221.4 |
-2.4 |
0.358 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
B |
19 |
7 |
8140 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
31 |
10 |
7792 |
213.6 |
-3.6 |
0.341 |
0 |
0 |
0 |
0.003 |
10 |
14 |
|
C |
28 |
8 |
7771 |
◊ |
D |
x-1,y,z |
1_455 |
23 |
6 |
7960 |
212.5 |
-0.7 |
0.680 |
2 |
3 |
0 |
0.000 |
15 |
|
B |
21 |
7 |
8140 |
◊ |
A |
x-1,y,z |
1_455 |
27 |
8 |
7792 |
189.3 |
-1.9 |
0.534 |
1 |
1 |
0 |
0.000 |
Average: |
200.9 |
-1.3 |
0.607 |
2 |
2 |
0 |
0.000 |
11 |
16 |
|
D |
29 |
9 |
7960 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
8140 |
204.4 |
-1.9 |
0.515 |
0 |
0 |
0 |
0.009 |
12 |
17 |
|
B |
26 |
9 |
8140 |
◊ |
D |
x,y-1,z |
1_545 |
29 |
7 |
7960 |
192.5 |
1.6 |
0.847 |
2 |
1 |
0 |
0.000 |
13 |
18 |
|
B |
21 |
8 |
8140 |
◊ |
C |
x,y-1,z |
1_545 |
17 |
6 |
7771 |
160.5 |
-1.2 |
0.573 |
0 |
0 |
0 |
0.012 |
14 |
19 |
|
B |
18 |
5 |
8140 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
15 |
7 |
7960 |
154.0 |
-1.0 |
0.544 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
[G7Z]D:202 |
11 |
1 |
360 |
cf |
D |
x,y,z |
1_555 |
15 |
6 |
7960 |
136.9 |
4.3 |
0.239 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[G7Z]B:202 |
12 |
1 |
342 |
cf |
B |
x,y,z |
1_555 |
19 |
5 |
8140 |
136.2 |
3.3 |
0.134 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
C |
13 |
6 |
7771 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
13 |
6 |
7771 |
109.7 |
-1.4 |
0.495 |
1 |
1 |
0 |
0.000 |
18 |
23 |
|
[SO4]B:206 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
8140 |
94.6 |
-12.6 |
0.764 |
1 |
0 |
0 |
0.126 |
19 |
24 |
|
[SO4]B:204 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
8140 |
92.4 |
-11.6 |
0.796 |
1 |
0 |
0 |
0.116 |
20 |
25 |
|
[HEM]C:201 |
6 |
1 |
831 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
9 |
3 |
7771 |
77.8 |
-3.2 |
0.502 |
1 |
0 |
0 |
0.000 |
21 |
26 |
|
[SO4]B:203 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
8140 |
77.0 |
-9.7 |
0.719 |
2 |
0 |
0 |
0.102 |
22 |
27 |
|
[HEM]B:201 |
5 |
1 |
806 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
10 |
3 |
7960 |
76.3 |
-2.5 |
0.526 |
1 |
0 |
0 |
0.004 |
23 |
28 |
|
[SO4]C:203 |
5 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
7771 |
71.6 |
-8.8 |
0.926 |
3 |
0 |
0 |
0.161 |
24 |
29 |
|
[SO4]A:203 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
7792 |
67.6 |
-8.0 |
0.931 |
1 |
0 |
0 |
0.080 |
25 |
30 |
|
A |
8 |
2 |
7792 |
◊ |
C |
x,y-1,z |
1_545 |
9 |
3 |
7771 |
66.4 |
-0.1 |
0.600 |
1 |
0 |
0 |
0.003 |
26 |
31 |
|
B |
6 |
4 |
8140 |
◊ |
[HEM]D:201 |
-x+1,y-1/2,-z-1/2 |
3_644 |
7 |
1 |
812 |
61.5 |
-2.0 |
0.730 |
1 |
0 |
0 |
0.000 |
27 |
32 |
|
[SO4]B:204 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
7960 |
60.4 |
-6.7 |
0.837 |
2 |
0 |
0 |
0.037 |
28 |
33 |
|
[SO4]B:203 |
4 |
1 |
184 |
◊ |
C |
x,y-1,z |
1_545 |
7 |
4 |
7771 |
59.7 |
-6.8 |
0.954 |
1 |
0 |
0 |
0.069 |
29 |
34 |
|
C |
7 |
2 |
7771 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
7960 |
55.5 |
-0.5 |
0.428 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[OXY]A:202 |
2 |
1 |
124 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
7792 |
55.1 |
0.5 |
0.785 |
1 |
0 |
0 |
0.000 |
31 |
36 |
|
[G7Z]D:202 |
2 |
1 |
360 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
8140 |
54.6 |
2.0 |
0.738 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[SO4]B:205 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
8140 |
53.6 |
-6.0 |
0.892 |
1 |
0 |
0 |
0.062 |
33 |
38 |
|
D |
7 |
2 |
7960 |
x |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
5 |
3 |
7960 |
49.7 |
1.4 |
0.862 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[SO4]B:205 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
7792 |
48.1 |
-5.3 |
0.899 |
1 |
0 |
0 |
0.055 |
35 |
40 |
|
[SO4]C:202 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
7771 |
42.9 |
-3.8 |
0.957 |
1 |
0 |
0 |
0.067 |
36 |
41 |
|
[OXY]A:202 |
2 |
1 |
124 |
cf |
[HEM]A:201 |
x,y,z |
1_555 |
17 |
1 |
819 |
41.1 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.001 |
37 |
42 |
|
[SO4]C:203 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8140 |
40.3 |
-5.4 |
0.608 |
0 |
0 |
0 |
0.052 |
38 |
43 |
|
[SO4]C:202 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
7792 |
38.3 |
-4.0 |
0.864 |
0 |
0 |
0 |
0.019 |
39 |
44 |
|
[SO4]A:203 |
5 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
7960 |
35.7 |
-4.8 |
0.773 |
0 |
0 |
0 |
0.023 |
40 |
45 |
|
C |
2 |
1 |
7771 |
◊ |
[SO4]A:203 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
183 |
32.6 |
-4.3 |
0.163 |
0 |
0 |
0 |
0.003 |
41 |
46 |
|
[SO4]B:206 |
4 |
1 |
183 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
2 |
7771 |
31.0 |
-3.2 |
0.897 |
1 |
0 |
0 |
0.035 |
42 |
47 |
|
[SO4]B:203 |
4 |
1 |
184 |
◊ |
D |
x,y-1,z |
1_545 |
5 |
2 |
7960 |
31.0 |
-4.1 |
0.662 |
0 |
0 |
0 |
0.022 |
43 |
48 |
|
[SO4]C:203 |
2 |
1 |
183 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
7792 |
10.2 |
-1.4 |
0.460 |
0 |
0 |
0 |
0.000 |
44 |
49 |
|
[G7Z]B:202 |
2 |
1 |
342 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
7960 |
10.1 |
-0.0 |
0.192 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
[SO4]B:206 |
1 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7792 |
6.2 |
-0.7 |
0.820 |
0 |
0 |
0 |
0.006 |
46 |
51 |
|
[G7Z]D:202 |
2 |
1 |
360 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
7792 |
6.1 |
-0.0 |
0.107 |
0 |
0 |
0 |
0.000 |
47 |
52 |
|
[G7Z]B:202 |
1 |
1 |
342 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
7771 |
6.0 |
0.1 |
0.352 |
0 |
0 |
0 |
0.000 |
48 |
53 |
|
C |
1 |
1 |
7771 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
7792 |
4.5 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
49 |
54 |
|
C |
1 |
1 |
7771 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
7792 |
0.2 |
0.0 |
0.697 |
0 |
0 |
0 |
0.000 |
|