## |
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 |
|
E |
158 |
43 |
12678 |
◊ |
A |
x,y,z |
1_555 |
155 |
38 |
12190 |
1465.6 |
-3.4 |
0.591 |
23 |
4 |
0 |
0.172 |
2 |
|
E |
157 |
37 |
12678 |
◊ |
D |
x,y,z |
1_555 |
159 |
46 |
12564 |
1464.3 |
-5.2 |
0.518 |
20 |
2 |
0 |
0.172 |
3 |
|
C |
154 |
37 |
12446 |
◊ |
A |
x,y,z |
1_555 |
158 |
44 |
12190 |
1400.6 |
-5.2 |
0.510 |
18 |
4 |
0 |
0.172 |
4 |
|
D |
154 |
37 |
12564 |
◊ |
B |
x,y,z |
1_555 |
150 |
43 |
12346 |
1392.2 |
-5.3 |
0.536 |
19 |
4 |
0 |
0.172 |
5 |
|
C |
157 |
43 |
12446 |
◊ |
B |
x,y,z |
1_555 |
155 |
37 |
12346 |
1381.8 |
-4.9 |
0.524 |
18 |
3 |
0 |
0.172 |
Average: |
1420.9 |
-4.8 |
0.536 |
20 |
3 |
0 |
0.172 |
2 |
6 |
|
[HEM]E:239 |
43 |
1 |
822 |
f |
E |
x,y,z |
1_555 |
80 |
32 |
12678 |
563.4 |
-21.8 |
0.149 |
4 |
0 |
0 |
0.286 |
7 |
|
[HEM]A:239 |
43 |
1 |
821 |
f |
A |
x,y,z |
1_555 |
78 |
32 |
12190 |
559.9 |
-21.8 |
0.135 |
4 |
0 |
0 |
0.286 |
8 |
|
[HEM]D:239 |
43 |
1 |
816 |
f |
D |
x,y,z |
1_555 |
80 |
33 |
12564 |
556.3 |
-21.5 |
0.168 |
4 |
0 |
0 |
0.286 |
9 |
|
[HEM]B:239 |
43 |
1 |
819 |
f |
B |
x,y,z |
1_555 |
77 |
31 |
12346 |
554.5 |
-21.6 |
0.153 |
4 |
0 |
0 |
0.286 |
10 |
|
[HEM]C:239 |
43 |
1 |
818 |
f |
C |
x,y,z |
1_555 |
77 |
33 |
12446 |
535.0 |
-20.7 |
0.151 |
4 |
0 |
0 |
0.286 |
Average: |
553.8 |
-21.5 |
0.151 |
4 |
0 |
0 |
0.286 |
3 |
11 |
|
A |
56 |
14 |
12190 |
◊ |
B |
x-y,-y+1,-z+1/3 |
5_565 |
46 |
13 |
12346 |
490.4 |
-6.8 |
0.132 |
1 |
0 |
0 |
0.000 |
4 |
12 |
|
E |
46 |
12 |
12678 |
◊ |
D |
-x,-x+y,-z+2/3 |
6_555 |
42 |
12 |
12564 |
395.5 |
-6.4 |
0.132 |
0 |
0 |
0 |
0.002 |
5 |
13 |
|
C |
41 |
10 |
12446 |
x |
C |
-y+1,x-y+1,z-1/3 |
2_664 |
30 |
9 |
12446 |
329.5 |
-3.0 |
0.317 |
2 |
4 |
0 |
0.000 |
6 |
14 |
|
D |
29 |
10 |
12564 |
◊ |
D |
-x,-x+y,-z+2/3 |
6_555 |
30 |
10 |
12564 |
232.1 |
-0.9 |
0.554 |
0 |
0 |
0 |
0.000 |
7 |
15 |
|
C |
15 |
4 |
12446 |
◊ |
C |
y,x,-z |
4_555 |
14 |
4 |
12446 |
152.4 |
0.3 |
0.669 |
6 |
0 |
0 |
0.000 |
16 |
|
E |
15 |
4 |
12678 |
◊ |
D |
y,x,-z |
4_555 |
15 |
4 |
12564 |
150.4 |
0.8 |
0.730 |
6 |
0 |
0 |
0.000 |
17 |
|
B |
16 |
4 |
12346 |
◊ |
A |
y,x,-z |
4_555 |
16 |
4 |
12190 |
148.0 |
0.3 |
0.659 |
4 |
0 |
0 |
0.000 |
Average: |
150.2 |
0.5 |
0.686 |
5 |
0 |
0 |
0.000 |
8 |
18 |
|
[GOL]B:246 |
6 |
1 |
223 |
f |
B |
x,y,z |
1_555 |
25 |
11 |
12346 |
147.2 |
-0.4 |
0.530 |
9 |
0 |
0 |
0.011 |
9 |
19 |
|
E |
18 |
8 |
12678 |
◊ |
E |
-x,-x+y,-z+2/3 |
6_555 |
18 |
8 |
12678 |
132.9 |
0.5 |
0.683 |
0 |
0 |
0 |
0.000 |
10 |
20 |
|
[GOL]A:248 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
12190 |
115.1 |
-0.3 |
0.525 |
2 |
0 |
0 |
0.003 |
11 |
21 |
|
[GOL]B:245 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
12346 |
114.2 |
-0.8 |
0.490 |
0 |
0 |
0 |
0.002 |
12 |
22 |
|
[GOL]C:246 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
12446 |
112.2 |
-0.4 |
0.526 |
2 |
0 |
0 |
0.003 |
13 |
23 |
|
[GOL]A:246 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
12190 |
111.5 |
-0.6 |
0.519 |
2 |
0 |
0 |
0.004 |
14 |
24 |
|
[GOL]E:243 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
17 |
7 |
12678 |
110.4 |
-0.6 |
0.509 |
1 |
0 |
0 |
0.002 |
15 |
25 |
|
[GOL]D:245 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
12564 |
108.1 |
-0.3 |
0.518 |
1 |
0 |
0 |
0.002 |
16 |
26 |
|
[GOL]B:247 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
12346 |
105.7 |
0.1 |
0.681 |
3 |
0 |
0 |
0.003 |
17 |
27 |
|
[GOL]A:247 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
4 |
12190 |
105.5 |
0.4 |
0.658 |
2 |
0 |
0 |
0.001 |
18 |
28 |
|
[GOL]C:244 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
12446 |
101.7 |
-0.7 |
0.472 |
1 |
0 |
0 |
0.003 |
19 |
29 |
|
[PO4]C:240 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
12446 |
92.6 |
-5.5 |
0.784 |
1 |
0 |
0 |
0.015 |
20 |
30 |
|
[GOL]D:246 |
6 |
1 |
223 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
12564 |
92.4 |
0.4 |
0.608 |
3 |
0 |
0 |
0.002 |
21 |
31 |
|
[PO4]A:241 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
12190 |
89.9 |
-5.4 |
0.851 |
2 |
0 |
0 |
0.015 |
22 |
32 |
|
[PO4]D:241 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
12564 |
88.7 |
-5.7 |
0.726 |
1 |
0 |
0 |
0.015 |
23 |
33 |
|
[PO4]D:242 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
12564 |
88.6 |
-5.5 |
0.563 |
2 |
0 |
0 |
0.033 |
34 |
|
[PO4]B:243 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
12346 |
88.2 |
-5.5 |
0.584 |
3 |
0 |
0 |
0.033 |
Average: |
88.4 |
-5.5 |
0.573 |
3 |
0 |
0 |
0.033 |
24 |
35 |
|
[PO4]E:240 |
5 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
16 |
7 |
12678 |
88.5 |
-5.5 |
0.563 |
3 |
0 |
0 |
0.017 |
25 |
36 |
|
[PO4]A:240 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
12190 |
88.4 |
-5.5 |
0.556 |
2 |
0 |
0 |
0.031 |
37 |
|
[PO4]C:241 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
12446 |
86.4 |
-5.5 |
0.562 |
2 |
0 |
0 |
0.031 |
Average: |
87.4 |
-5.5 |
0.559 |
2 |
0 |
0 |
0.031 |
26 |
38 |
|
[PO4]B:240 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
12346 |
87.1 |
-5.2 |
0.847 |
1 |
0 |
0 |
0.014 |
27 |
39 |
|
[PO4]A:242 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
14 |
4 |
12678 |
83.1 |
-5.6 |
0.647 |
0 |
0 |
0 |
0.014 |
28 |
40 |
|
[PO4]A:243 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
12190 |
82.9 |
-4.9 |
0.736 |
3 |
0 |
0 |
0.015 |
29 |
41 |
|
[PO4]B:241 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
12346 |
80.8 |
-5.2 |
0.662 |
3 |
0 |
0 |
0.016 |
30 |
42 |
|
[PO4]D:243 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
12564 |
80.3 |
-3.3 |
0.903 |
2 |
0 |
0 |
0.022 |
43 |
|
[PO4]B:242 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
12446 |
77.0 |
-4.2 |
0.794 |
1 |
0 |
0 |
0.022 |
Average: |
78.6 |
-3.7 |
0.848 |
2 |
0 |
0 |
0.022 |
31 |
44 |
|
[GOL]D:246 |
5 |
1 |
223 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
12346 |
80.0 |
-0.6 |
0.479 |
1 |
0 |
0 |
0.002 |
32 |
45 |
|
[PO4]E:241 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
12678 |
78.0 |
-4.8 |
0.697 |
2 |
0 |
0 |
0.014 |
33 |
46 |
|
[PO4]C:242 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
12190 |
77.3 |
-4.1 |
0.793 |
1 |
0 |
0 |
0.011 |
34 |
47 |
|
[PO4]A:244 |
5 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
13 |
7 |
12678 |
76.2 |
-4.0 |
0.803 |
1 |
0 |
0 |
0.011 |
35 |
48 |
|
[PO4]D:240 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
12346 |
74.4 |
-3.8 |
0.819 |
1 |
0 |
0 |
0.010 |
36 |
49 |
|
[GOL]C:245 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
10 |
2 |
12446 |
70.9 |
-0.3 |
0.493 |
0 |
0 |
0 |
0.000 |
37 |
50 |
|
[GOL]B:248 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
12346 |
68.5 |
-0.5 |
0.504 |
0 |
0 |
0 |
0.001 |
38 |
51 |
|
[CYN]E:242 |
2 |
1 |
143 |
f |
E |
x,y,z |
1_555 |
19 |
7 |
12678 |
67.9 |
-0.4 |
0.625 |
0 |
0 |
0 |
0.001 |
39 |
52 |
|
[CYN]B:244 |
2 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
12346 |
67.0 |
-0.4 |
0.640 |
0 |
0 |
0 |
0.001 |
40 |
53 |
|
[CYN]A:245 |
2 |
1 |
143 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
12190 |
66.7 |
-0.4 |
0.629 |
0 |
0 |
0 |
0.001 |
41 |
54 |
|
[CYN]C:243 |
2 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
12446 |
65.4 |
-0.4 |
0.628 |
0 |
0 |
0 |
0.001 |
42 |
55 |
|
[CYN]D:244 |
2 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
12564 |
65.1 |
-0.4 |
0.644 |
0 |
0 |
0 |
0.001 |
43 |
56 |
|
[PO4]A:244 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12190 |
64.0 |
-3.8 |
0.512 |
2 |
0 |
0 |
0.012 |
44 |
57 |
|
[PO4]B:242 |
5 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
12346 |
63.9 |
-3.8 |
0.493 |
1 |
0 |
0 |
0.021 |
58 |
|
[PO4]D:243 |
5 |
1 |
189 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
12678 |
63.6 |
-3.7 |
0.519 |
1 |
0 |
0 |
0.021 |
Average: |
63.8 |
-3.8 |
0.506 |
1 |
0 |
0 |
0.021 |
45 |
59 |
|
[PO4]D:240 |
5 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
12564 |
63.4 |
-3.9 |
0.497 |
1 |
0 |
0 |
0.021 |
60 |
|
[PO4]C:242 |
5 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
12446 |
62.8 |
-3.7 |
0.490 |
1 |
0 |
0 |
0.021 |
Average: |
63.1 |
-3.8 |
0.494 |
1 |
0 |
0 |
0.021 |
46 |
61 |
|
[GOL]E:243 |
5 |
1 |
218 |
f |
[HEM]E:239 |
x,y,z |
1_555 |
16 |
1 |
822 |
61.2 |
-1.3 |
0.766 |
0 |
0 |
0 |
0.003 |
47 |
62 |
|
A |
6 |
3 |
12190 |
◊ |
[GOL]B:247 |
x-y,-y+1,-z+1/3 |
5_565 |
5 |
1 |
216 |
61.0 |
0.5 |
0.727 |
2 |
0 |
0 |
0.000 |
48 |
63 |
|
[GOL]D:245 |
5 |
1 |
220 |
f |
[HEM]D:239 |
x,y,z |
1_555 |
15 |
1 |
816 |
59.8 |
-1.8 |
0.527 |
0 |
0 |
0 |
0.004 |
49 |
64 |
|
[GOL]A:246 |
6 |
1 |
218 |
f |
[HEM]A:239 |
x,y,z |
1_555 |
16 |
1 |
821 |
58.4 |
-1.1 |
0.771 |
0 |
0 |
0 |
0.003 |
50 |
65 |
|
[GOL]B:245 |
6 |
1 |
219 |
f |
[HEM]B:239 |
x,y,z |
1_555 |
15 |
1 |
819 |
58.3 |
-1.7 |
0.574 |
0 |
0 |
0 |
0.004 |
51 |
66 |
|
[GOL]C:244 |
6 |
1 |
218 |
f |
[HEM]C:239 |
x,y,z |
1_555 |
16 |
1 |
818 |
54.5 |
-1.4 |
0.685 |
0 |
0 |
0 |
0.004 |
52 |
67 |
|
[GOL]B:248 |
5 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
12446 |
50.0 |
1.2 |
0.846 |
3 |
0 |
0 |
0.000 |
53 |
68 |
|
[GOL]C:245 |
4 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
12190 |
49.1 |
0.9 |
0.754 |
2 |
0 |
0 |
0.000 |
54 |
69 |
|
[PO4]B:241 |
4 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
12446 |
46.6 |
-2.4 |
0.798 |
1 |
0 |
0 |
0.007 |
55 |
70 |
|
[CYN]E:242 |
2 |
1 |
143 |
f |
[HEM]E:239 |
x,y,z |
1_555 |
18 |
1 |
822 |
42.4 |
-1.6 |
0.500 |
0 |
0 |
0 |
0.004 |
56 |
71 |
|
[CYN]A:245 |
2 |
1 |
143 |
f |
[HEM]A:239 |
x,y,z |
1_555 |
17 |
1 |
821 |
42.1 |
-1.7 |
0.500 |
0 |
0 |
0 |
0.004 |
57 |
72 |
|
[PO4]A:241 |
3 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
12446 |
41.3 |
-2.4 |
0.325 |
1 |
0 |
0 |
0.007 |
58 |
73 |
|
[CYN]D:244 |
2 |
1 |
144 |
f |
[HEM]D:239 |
x,y,z |
1_555 |
18 |
1 |
816 |
41.2 |
-1.6 |
0.500 |
0 |
0 |
0 |
0.004 |
59 |
74 |
|
[CYN]B:244 |
2 |
1 |
144 |
f |
[HEM]B:239 |
x,y,z |
1_555 |
16 |
1 |
819 |
41.1 |
-1.7 |
0.500 |
0 |
0 |
0 |
0.004 |
60 |
75 |
|
[PO4]A:242 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
12190 |
41.0 |
-2.5 |
0.423 |
1 |
0 |
0 |
0.007 |
61 |
76 |
|
[PO4]E:241 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
12564 |
41.0 |
-2.0 |
0.836 |
1 |
0 |
0 |
0.006 |
62 |
77 |
|
[PO4]C:240 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12346 |
40.9 |
-2.4 |
0.436 |
1 |
0 |
0 |
0.007 |
63 |
78 |
|
[CYN]C:243 |
2 |
1 |
144 |
f |
[HEM]C:239 |
x,y,z |
1_555 |
18 |
1 |
818 |
40.9 |
-1.7 |
0.500 |
0 |
0 |
0 |
0.004 |
64 |
79 |
|
[PO4]B:240 |
4 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
12564 |
39.4 |
-2.2 |
0.398 |
1 |
0 |
0 |
0.007 |
65 |
80 |
|
[PO4]D:241 |
3 |
1 |
188 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
12678 |
37.7 |
-2.2 |
0.469 |
1 |
0 |
0 |
0.006 |
66 |
81 |
|
[PO4]A:243 |
4 |
1 |
188 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
12678 |
37.0 |
-1.7 |
0.835 |
1 |
0 |
0 |
0.005 |
67 |
82 |
|
[PO4]D:242 |
4 |
1 |
189 |
f |
[HEM]D:239 |
x,y,z |
1_555 |
4 |
1 |
816 |
34.7 |
-3.3 |
0.620 |
0 |
0 |
0 |
0.016 |
83 |
|
[PO4]B:243 |
4 |
1 |
188 |
f |
[HEM]B:239 |
x,y,z |
1_555 |
4 |
1 |
819 |
34.2 |
-3.2 |
0.621 |
0 |
0 |
0 |
0.016 |
Average: |
34.4 |
-3.2 |
0.620 |
0 |
0 |
0 |
0.016 |
68 |
84 |
|
[PO4]C:241 |
4 |
1 |
189 |
f |
[HEM]C:239 |
x,y,z |
1_555 |
4 |
1 |
818 |
34.5 |
-3.2 |
0.609 |
0 |
0 |
0 |
0.016 |
85 |
|
[PO4]A:240 |
4 |
1 |
189 |
f |
[HEM]A:239 |
x,y,z |
1_555 |
4 |
1 |
821 |
34.0 |
-3.2 |
0.631 |
0 |
0 |
0 |
0.016 |
Average: |
34.3 |
-3.2 |
0.620 |
0 |
0 |
0 |
0.016 |
69 |
86 |
|
[PO4]E:240 |
4 |
1 |
188 |
f |
[HEM]E:239 |
x,y,z |
1_555 |
4 |
1 |
822 |
33.5 |
-3.1 |
0.639 |
0 |
0 |
0 |
0.008 |
70 |
87 |
|
[GOL]C:246 |
4 |
1 |
218 |
f |
[HEM]C:239 |
x,y,z |
1_555 |
4 |
1 |
818 |
33.4 |
-0.8 |
0.653 |
1 |
0 |
0 |
0.003 |
71 |
88 |
|
C |
4 |
2 |
12446 |
◊ |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
3 |
1 |
12346 |
31.9 |
-0.2 |
0.433 |
0 |
0 |
0 |
0.000 |
72 |
89 |
|
[PO4]E:240 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12190 |
31.6 |
-1.0 |
0.925 |
2 |
0 |
0 |
0.005 |
73 |
90 |
|
[PO4]D:242 |
4 |
1 |
189 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
12678 |
31.2 |
-0.9 |
0.918 |
2 |
0 |
0 |
0.009 |
91 |
|
[PO4]B:243 |
4 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
12564 |
30.7 |
-0.9 |
0.933 |
2 |
0 |
0 |
0.009 |
Average: |
31.0 |
-0.9 |
0.926 |
2 |
0 |
0 |
0.009 |
74 |
92 |
|
[PO4]C:241 |
4 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
12346 |
31.1 |
-0.9 |
0.923 |
2 |
0 |
0 |
0.009 |
93 |
|
[PO4]A:240 |
4 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12446 |
30.8 |
-0.9 |
0.936 |
2 |
0 |
0 |
0.009 |
Average: |
31.0 |
-0.9 |
0.929 |
2 |
0 |
0 |
0.009 |
75 |
94 |
|
[GOL]C:246 |
4 |
1 |
218 |
f |
[GOL]C:244 |
x,y,z |
1_555 |
2 |
1 |
218 |
29.8 |
-0.4 |
0.354 |
0 |
0 |
0 |
0.001 |
76 |
95 |
|
[PO4]C:242 |
3 |
1 |
188 |
f |
[PO4]A:240 |
x,y,z |
1_555 |
4 |
1 |
189 |
29.7 |
-2.8 |
0.934 |
0 |
0 |
0 |
0.007 |
77 |
96 |
|
[PO4]D:240 |
3 |
1 |
188 |
f |
[PO4]B:243 |
x,y,z |
1_555 |
4 |
1 |
188 |
29.4 |
-2.7 |
0.934 |
0 |
0 |
0 |
0.007 |
78 |
97 |
|
[PO4]E:240 |
4 |
1 |
188 |
◊ |
[PO4]A:244 |
x,y,z |
1_555 |
4 |
1 |
187 |
29.2 |
-2.7 |
0.973 |
0 |
0 |
0 |
0.007 |
79 |
98 |
|
[PO4]C:241 |
4 |
1 |
189 |
f |
[PO4]B:242 |
x,y,z |
1_555 |
4 |
1 |
189 |
29.1 |
-2.7 |
0.973 |
0 |
0 |
0 |
0.007 |
80 |
99 |
|
[PO4]D:243 |
3 |
1 |
189 |
f |
[PO4]D:242 |
x,y,z |
1_555 |
4 |
1 |
189 |
28.6 |
-2.7 |
0.934 |
0 |
0 |
0 |
0.007 |
81 |
100 |
|
[GOL]D:245 |
2 |
1 |
220 |
f |
[CYN]D:244 |
x,y,z |
1_555 |
2 |
1 |
144 |
25.6 |
-0.1 |
0.559 |
0 |
0 |
0 |
0.000 |
82 |
101 |
|
[GOL]E:243 |
2 |
1 |
218 |
f |
[CYN]E:242 |
x,y,z |
1_555 |
2 |
1 |
143 |
24.9 |
0.1 |
0.692 |
0 |
0 |
0 |
0.000 |
83 |
102 |
|
[GOL]B:245 |
2 |
1 |
219 |
f |
[CYN]B:244 |
x,y,z |
1_555 |
2 |
1 |
144 |
24.8 |
-0.0 |
0.661 |
0 |
0 |
0 |
0.000 |
84 |
103 |
|
D |
2 |
1 |
12564 |
◊ |
A |
y,x,-z |
4_555 |
2 |
1 |
12190 |
23.8 |
0.0 |
0.533 |
0 |
0 |
0 |
0.000 |
104 |
|
E |
2 |
1 |
12678 |
◊ |
E |
y,x,-z |
4_555 |
2 |
1 |
12678 |
23.5 |
-0.6 |
0.218 |
0 |
0 |
0 |
0.000 |
Average: |
23.6 |
-0.3 |
0.376 |
0 |
0 |
0 |
0.000 |
85 |
105 |
|
[GOL]A:246 |
2 |
1 |
218 |
f |
[CYN]A:245 |
x,y,z |
1_555 |
2 |
1 |
143 |
22.8 |
0.3 |
0.750 |
0 |
0 |
0 |
0.000 |
86 |
106 |
|
[GOL]C:244 |
2 |
1 |
218 |
f |
[CYN]C:243 |
x,y,z |
1_555 |
2 |
1 |
144 |
21.3 |
0.2 |
0.692 |
0 |
0 |
0 |
0.000 |
87 |
107 |
|
[PO4]B:242 |
1 |
1 |
189 |
f |
[HEM]C:239 |
x,y,z |
1_555 |
2 |
1 |
818 |
1.2 |
-0.1 |
0.891 |
0 |
0 |
0 |
0.000 |
108 |
|
[PO4]D:243 |
1 |
1 |
189 |
f |
[HEM]D:239 |
x,y,z |
1_555 |
1 |
1 |
816 |
0.1 |
-0.0 |
0.894 |
0 |
0 |
0 |
0.000 |
Average: |
0.7 |
-0.1 |
0.892 |
0 |
0 |
0 |
0.000 |
88 |
109 |
|
[GOL]B:248 |
1 |
1 |
217 |
◊ |
[PO4]C:240 |
x,y,z |
1_555 |
1 |
1 |
188 |
1.1 |
-0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
89 |
110 |
|
[PO4]C:242 |
1 |
1 |
188 |
f |
[HEM]A:239 |
x,y,z |
1_555 |
1 |
1 |
821 |
1.0 |
-0.1 |
0.894 |
0 |
0 |
0 |
0.000 |
111 |
|
[PO4]D:240 |
1 |
1 |
188 |
f |
[HEM]B:239 |
x,y,z |
1_555 |
2 |
1 |
819 |
0.9 |
-0.1 |
0.894 |
0 |
0 |
0 |
0.000 |
Average: |
0.9 |
-0.1 |
0.894 |
0 |
0 |
0 |
0.000 |
90 |
112 |
|
[PO4]A:244 |
1 |
1 |
187 |
◊ |
[HEM]E:239 |
x,y,z |
1_555 |
2 |
1 |
822 |
0.5 |
-0.1 |
0.891 |
0 |
0 |
0 |
0.000 |
|