## |
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 |
112 |
30 |
15837 |
◊ |
A |
x,y,z |
1_555 |
104 |
31 |
15871 |
1015.2 |
-11.1 |
0.214 |
2 |
4 |
0 |
0.010 |
2 |
2 |
|
[HEM]C:501 |
43 |
1 |
837 |
f |
C |
x,y,z |
1_555 |
88 |
35 |
15629 |
620.3 |
-25.8 |
0.224 |
4 |
0 |
0 |
0.437 |
3 |
|
[HEM]D:501 |
43 |
1 |
839 |
f |
D |
x,y,z |
1_555 |
87 |
33 |
15753 |
618.4 |
-25.6 |
0.215 |
4 |
0 |
0 |
0.437 |
4 |
|
[HEM]A:501 |
43 |
1 |
822 |
f |
A |
x,y,z |
1_555 |
88 |
36 |
15871 |
613.6 |
-25.2 |
0.231 |
4 |
0 |
0 |
0.437 |
5 |
|
[HEM]B:501 |
43 |
1 |
827 |
f |
B |
x,y,z |
1_555 |
83 |
34 |
15837 |
611.0 |
-26.5 |
0.137 |
4 |
0 |
0 |
0.437 |
Average: |
615.8 |
-25.8 |
0.202 |
4 |
0 |
0 |
0.437 |
3 |
6 |
|
D |
69 |
20 |
15753 |
◊ |
A |
x,y,z |
1_555 |
60 |
17 |
15871 |
578.4 |
-0.7 |
0.667 |
8 |
2 |
0 |
0.000 |
4 |
7 |
|
D |
65 |
21 |
15753 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
62 |
21 |
15871 |
571.2 |
-9.1 |
0.115 |
4 |
0 |
0 |
0.083 |
5 |
8 |
|
B |
61 |
20 |
15837 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
62 |
19 |
15629 |
562.9 |
-9.5 |
0.099 |
3 |
0 |
0 |
0.085 |
6 |
9 |
|
B |
66 |
19 |
15837 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
63 |
18 |
15629 |
546.2 |
-0.9 |
0.731 |
12 |
2 |
0 |
0.000 |
7 |
10 |
|
D |
50 |
19 |
15753 |
◊ |
C |
x,y,z |
1_555 |
52 |
17 |
15629 |
415.5 |
-6.2 |
0.212 |
0 |
1 |
0 |
0.000 |
8 |
11 |
|
A |
28 |
8 |
15871 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
33 |
8 |
15837 |
250.1 |
-1.4 |
0.561 |
0 |
1 |
0 |
0.000 |
9 |
12 |
|
C |
24 |
7 |
15629 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
15871 |
214.2 |
-1.4 |
0.524 |
1 |
0 |
0 |
0.000 |
10 |
13 |
|
[GOL]C:503 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
15629 |
134.3 |
0.2 |
0.637 |
4 |
0 |
0 |
0.012 |
11 |
14 |
|
[GOL]B:503 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
15837 |
133.7 |
-0.1 |
0.566 |
4 |
0 |
0 |
0.014 |
12 |
15 |
|
[GOL]A:503 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
15871 |
132.7 |
-0.3 |
0.586 |
4 |
0 |
0 |
0.016 |
13 |
16 |
|
[GOL]D:503 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
15753 |
128.8 |
-0.1 |
0.563 |
4 |
0 |
0 |
0.014 |
14 |
17 |
|
[SO4]D:502 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
15753 |
75.6 |
-9.2 |
0.926 |
2 |
0 |
0 |
0.077 |
18 |
|
[SO4]C:502 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
15629 |
69.4 |
-7.9 |
0.948 |
3 |
0 |
0 |
0.077 |
Average: |
72.5 |
-8.6 |
0.937 |
3 |
0 |
0 |
0.077 |
15 |
19 |
|
[CL]D:504 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
15753 |
75.6 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.180 |
20 |
|
[CL]C:504 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
15629 |
73.8 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.180 |
21 |
|
[CL]A:504 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
15871 |
73.2 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.180 |
22 |
|
[CL]B:504 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
15837 |
72.1 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.180 |
Average: |
73.7 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.180 |
16 |
23 |
|
[SO4]B:502 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
15837 |
74.6 |
-8.9 |
0.941 |
3 |
0 |
0 |
0.080 |
24 |
|
[SO4]A:502 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
15871 |
71.6 |
-8.4 |
0.936 |
2 |
0 |
0 |
0.080 |
Average: |
73.1 |
-8.6 |
0.938 |
3 |
0 |
0 |
0.080 |
17 |
25 |
|
B |
9 |
5 |
15837 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
10 |
5 |
15753 |
61.3 |
-0.0 |
0.509 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[SO4]D:502 |
4 |
1 |
186 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
15871 |
41.2 |
-5.2 |
0.565 |
0 |
0 |
0 |
0.040 |
27 |
|
B |
3 |
1 |
15837 |
◊ |
[SO4]C:502 |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
184 |
39.7 |
-4.1 |
0.916 |
1 |
0 |
0 |
0.040 |
Average: |
40.4 |
-4.7 |
0.740 |
1 |
0 |
0 |
0.040 |
19 |
28 |
|
D |
4 |
1 |
15753 |
◊ |
[SO4]A:502 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
185 |
39.5 |
-4.9 |
0.532 |
0 |
0 |
0 |
0.037 |
20 |
29 |
|
[SO4]B:502 |
4 |
1 |
185 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
15629 |
35.8 |
-2.2 |
0.990 |
2 |
0 |
0 |
0.024 |
21 |
30 |
|
[GOL]D:503 |
4 |
1 |
220 |
f |
[SO4]D:502 |
x,y,z |
1_555 |
4 |
1 |
186 |
35.1 |
-4.0 |
0.705 |
1 |
0 |
0 |
0.034 |
22 |
31 |
|
[GOL]A:503 |
4 |
1 |
218 |
f |
[SO4]A:502 |
x,y,z |
1_555 |
4 |
1 |
185 |
34.7 |
-3.7 |
0.821 |
2 |
0 |
0 |
0.035 |
23 |
32 |
|
[GOL]C:503 |
4 |
1 |
219 |
f |
[SO4]C:502 |
x,y,z |
1_555 |
4 |
1 |
184 |
33.6 |
-3.3 |
0.803 |
1 |
0 |
0 |
0.029 |
24 |
33 |
|
[GOL]B:503 |
4 |
1 |
221 |
f |
[SO4]B:502 |
x,y,z |
1_555 |
4 |
1 |
185 |
32.4 |
-3.5 |
0.803 |
1 |
0 |
0 |
0.031 |
|