## |
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 |
90 |
24 |
7996 |
◊ |
A |
x,y,z |
1_555 |
88 |
26 |
7540 |
867.3 |
-9.5 |
0.391 |
8 |
0 |
0 |
0.173 |
2 |
|
D |
91 |
24 |
8076 |
◊ |
C |
x,y,z |
1_555 |
93 |
24 |
7757 |
865.1 |
-10.8 |
0.295 |
7 |
0 |
0 |
0.173 |
Average: |
866.2 |
-10.1 |
0.343 |
8 |
0 |
0 |
0.173 |
2 |
3 |
|
[HEM]A:143 |
43 |
1 |
837 |
f |
A |
x,y,z |
1_555 |
71 |
26 |
7540 |
584.2 |
-20.1 |
0.432 |
1 |
0 |
0 |
0.398 |
4 |
|
[HEM]C:143 |
43 |
1 |
828 |
f |
C |
x,y,z |
1_555 |
68 |
26 |
7757 |
551.7 |
-18.7 |
0.304 |
0 |
0 |
0 |
0.398 |
Average: |
567.9 |
-19.4 |
0.368 |
1 |
0 |
0 |
0.398 |
3 |
5 |
|
[HEM]B:148 |
43 |
1 |
838 |
f |
B |
x,y,z |
1_555 |
66 |
26 |
7996 |
557.0 |
-19.5 |
0.287 |
0 |
0 |
0 |
0.342 |
6 |
|
[HEM]D:148 |
43 |
1 |
833 |
f |
D |
x,y,z |
1_555 |
67 |
25 |
8076 |
551.0 |
-19.0 |
0.313 |
0 |
0 |
0 |
0.342 |
Average: |
554.0 |
-19.3 |
0.300 |
0 |
0 |
0 |
0.342 |
4 |
7 |
|
C |
46 |
14 |
7757 |
◊ |
A |
x,y,z |
1_555 |
47 |
15 |
7540 |
440.2 |
-3.8 |
0.546 |
4 |
0 |
0 |
0.026 |
5 |
8 |
|
B |
54 |
11 |
7996 |
◊ |
C |
x,y,z |
1_555 |
49 |
14 |
7757 |
429.9 |
-2.3 |
0.666 |
4 |
2 |
0 |
0.046 |
9 |
|
D |
49 |
9 |
8076 |
◊ |
A |
x,y,z |
1_555 |
46 |
12 |
7540 |
412.4 |
-3.3 |
0.575 |
5 |
0 |
0 |
0.046 |
Average: |
421.2 |
-2.8 |
0.620 |
5 |
1 |
0 |
0.046 |
6 |
10 |
|
D |
41 |
10 |
8076 |
◊ |
C |
-y+1,x-y,z-1/3 |
2_654 |
37 |
11 |
7757 |
364.3 |
-2.1 |
0.477 |
0 |
0 |
0 |
0.000 |
7 |
11 |
|
D |
43 |
14 |
8076 |
◊ |
D |
x-y,-y,-z+1/3 |
5_555 |
43 |
14 |
8076 |
350.7 |
4.6 |
0.952 |
4 |
4 |
0 |
0.000 |
8 |
12 |
|
A |
27 |
9 |
7540 |
◊ |
D |
x-y,-y+1,-z+1/3 |
5_565 |
34 |
10 |
8076 |
295.3 |
-2.8 |
0.484 |
2 |
2 |
0 |
0.000 |
9 |
13 |
|
A |
28 |
9 |
7540 |
◊ |
B |
-y+1,x-y,z-1/3 |
2_654 |
28 |
9 |
7996 |
267.2 |
1.5 |
0.851 |
2 |
2 |
0 |
0.000 |
10 |
14 |
|
D |
21 |
8 |
8076 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
7996 |
189.6 |
1.8 |
0.844 |
3 |
0 |
0 |
0.000 |
11 |
15 |
|
A |
19 |
4 |
7540 |
◊ |
C |
-y+1,x-y,z-1/3 |
2_654 |
22 |
8 |
7757 |
169.2 |
-2.3 |
0.457 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
C |
14 |
4 |
7757 |
◊ |
B |
-x+1,-x+y,-z+2/3 |
6_655 |
19 |
7 |
7996 |
165.6 |
-0.5 |
0.655 |
2 |
2 |
0 |
0.008 |
13 |
17 |
|
D |
20 |
5 |
8076 |
◊ |
C |
x-y,-y,-z+1/3 |
5_555 |
14 |
6 |
7757 |
155.7 |
-2.2 |
0.274 |
3 |
0 |
0 |
0.045 |
14 |
18 |
|
C |
17 |
8 |
7757 |
◊ |
C |
x-y,-y,-z+1/3 |
5_555 |
17 |
8 |
7757 |
149.3 |
-2.2 |
0.312 |
0 |
0 |
0 |
0.023 |
15 |
19 |
|
D |
13 |
4 |
8076 |
◊ |
B |
-y+1,x-y,z-1/3 |
2_654 |
21 |
6 |
7996 |
143.1 |
-0.4 |
0.659 |
2 |
3 |
0 |
0.008 |
16 |
20 |
|
A |
16 |
5 |
7540 |
◊ |
B |
x-y,-y+1,-z+1/3 |
5_565 |
15 |
5 |
7996 |
117.9 |
-0.6 |
0.599 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[SO4]B:1005 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
7996 |
107.1 |
-15.9 |
0.829 |
2 |
0 |
0 |
0.167 |
18 |
22 |
|
[SO4]D:1007 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
8076 |
105.5 |
-15.5 |
0.788 |
4 |
0 |
0 |
0.219 |
19 |
23 |
|
[SO4]D:1013 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
7996 |
85.8 |
-10.6 |
0.737 |
0 |
0 |
0 |
0.105 |
20 |
24 |
|
[SO4]C:1011 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
7757 |
77.4 |
-10.8 |
0.821 |
0 |
0 |
0 |
0.228 |
21 |
25 |
|
C |
10 |
5 |
7757 |
◊ |
A |
-x+1,-x+y,-z+2/3 |
6_655 |
9 |
5 |
7540 |
75.1 |
-1.6 |
0.351 |
0 |
0 |
0 |
0.007 |
22 |
26 |
|
[SO4]D:1013 |
5 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
9 |
5 |
8076 |
65.0 |
-7.2 |
0.900 |
3 |
0 |
0 |
0.076 |
23 |
27 |
|
[SO4]C:1011 |
4 |
1 |
187 |
◊ |
D |
x-y,-y,-z+1/3 |
5_555 |
9 |
3 |
8076 |
64.9 |
-8.7 |
0.701 |
1 |
0 |
0 |
0.116 |
24 |
28 |
|
[HEM]A:143 |
6 |
1 |
837 |
◊ |
B |
-y+1,x-y,z-1/3 |
2_654 |
8 |
2 |
7996 |
62.4 |
-2.5 |
0.575 |
1 |
0 |
0 |
0.000 |
25 |
29 |
|
[OXY]B:5147 |
2 |
1 |
122 |
f |
B |
x,y,z |
1_555 |
6 |
6 |
7996 |
57.2 |
0.4 |
0.713 |
1 |
0 |
0 |
0.000 |
26 |
30 |
|
[OXY]D:9147 |
2 |
1 |
121 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
8076 |
56.4 |
0.5 |
0.747 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[OXY]C:9142 |
2 |
1 |
120 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
7757 |
56.1 |
0.5 |
0.784 |
1 |
0 |
0 |
0.000 |
28 |
32 |
|
[OXY]A:5142 |
2 |
1 |
121 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
7540 |
56.0 |
0.4 |
0.761 |
1 |
0 |
0 |
0.000 |
29 |
33 |
|
[SO4]A:1009 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
7540 |
55.0 |
-5.6 |
0.961 |
1 |
0 |
0 |
0.060 |
30 |
34 |
|
[SO4]D:1001 |
5 |
1 |
187 |
f |
[SO4]D:1001 |
x-y,-y,-z+1/3 |
5_555 |
5 |
1 |
187 |
52.1 |
-10.8 |
0.993 |
0 |
0 |
0 |
0.115 |
31 |
35 |
|
[SO4]B:1003 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
7996 |
49.0 |
-5.4 |
0.911 |
3 |
0 |
0 |
0.067 |
32 |
36 |
|
[SO4]B:1003 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
8076 |
48.9 |
-5.4 |
0.899 |
2 |
0 |
0 |
0.056 |
33 |
37 |
|
[SO4]A:1009 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
7996 |
48.0 |
-6.2 |
0.678 |
0 |
0 |
0 |
0.062 |
34 |
38 |
|
[SO4]D:1001 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
7757 |
47.9 |
-5.3 |
0.759 |
0 |
0 |
0 |
0.113 |
35 |
39 |
|
[SO4]D:1001 |
4 |
1 |
187 |
◊ |
C |
x-y,-y,-z+1/3 |
5_555 |
10 |
5 |
7757 |
47.6 |
-5.4 |
0.747 |
0 |
0 |
0 |
0.115 |
36 |
40 |
|
[HEM]B:148 |
17 |
1 |
838 |
cf |
[OXY]B:5147 |
x,y,z |
1_555 |
2 |
1 |
122 |
38.8 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.005 |
37 |
41 |
|
[HEM]A:143 |
16 |
1 |
837 |
cf |
[OXY]A:5142 |
x,y,z |
1_555 |
2 |
1 |
121 |
38.8 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.005 |
38 |
42 |
|
[HEM]D:148 |
17 |
1 |
833 |
f |
[OXY]D:9147 |
x,y,z |
1_555 |
2 |
1 |
121 |
38.7 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.007 |
39 |
43 |
|
[HEM]C:143 |
15 |
1 |
828 |
cf |
[OXY]C:9142 |
x,y,z |
1_555 |
2 |
1 |
120 |
38.0 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.010 |
40 |
44 |
|
A |
5 |
2 |
7540 |
◊ |
[SO4]B:1003 |
x-y,-y+1,-z+1/3 |
5_565 |
4 |
1 |
187 |
37.9 |
-4.0 |
0.915 |
1 |
0 |
0 |
0.000 |
41 |
45 |
|
[SO4]D:1001 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
8076 |
25.4 |
-2.6 |
0.766 |
0 |
0 |
0 |
0.023 |
42 |
46 |
|
[SO4]D:1001 |
3 |
1 |
187 |
◊ |
D |
x-y,-y,-z+1/3 |
5_555 |
3 |
2 |
8076 |
25.2 |
-2.6 |
0.800 |
0 |
0 |
0 |
0.023 |
43 |
47 |
|
A |
2 |
1 |
7540 |
◊ |
[HEM]B:148 |
-y+1,x-y,z-1/3 |
2_654 |
2 |
1 |
838 |
23.4 |
-1.1 |
0.309 |
0 |
0 |
0 |
0.000 |
44 |
48 |
|
[SO4]C:1011 |
4 |
1 |
187 |
◊ |
B |
-x+1,-x+y,-z+2/3 |
6_655 |
2 |
1 |
7996 |
18.9 |
-1.6 |
0.936 |
0 |
0 |
0 |
0.007 |
45 |
49 |
|
D |
1 |
1 |
8076 |
◊ |
[HEM]C:143 |
-y+1,x-y,z-1/3 |
2_654 |
3 |
1 |
828 |
17.5 |
-0.8 |
0.348 |
0 |
0 |
0 |
0.000 |
46 |
50 |
|
[SO4]D:1007 |
1 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
7996 |
12.0 |
-1.4 |
0.773 |
0 |
0 |
0 |
0.012 |
47 |
51 |
|
[HEM]D:148 |
1 |
1 |
833 |
◊ |
[HEM]C:143 |
-y+1,x-y,z-1/3 |
2_654 |
3 |
1 |
828 |
5.9 |
-0.6 |
0.630 |
0 |
0 |
0 |
0.000 |
48 |
52 |
|
[HEM]D:148 |
1 |
1 |
833 |
◊ |
C |
-y+1,x-y,z-1/3 |
2_654 |
2 |
1 |
7757 |
4.6 |
-0.0 |
0.775 |
0 |
0 |
0 |
0.000 |
49 |
53 |
|
[SO4]B:1005 |
1 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8076 |
1.0 |
-0.1 |
0.859 |
0 |
0 |
0 |
0.001 |
|