## |
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 |
261 |
61 |
25436 |
◊ |
C |
x,y,z |
1_555 |
283 |
86 |
25330 |
2560.6 |
-22.0 |
0.223 |
34 |
6 |
0 |
0.151 |
2 |
|
E |
289 |
85 |
25436 |
◊ |
A |
x,y,z |
1_555 |
254 |
59 |
25546 |
2552.3 |
-22.6 |
0.200 |
29 |
8 |
0 |
0.151 |
3 |
|
C |
258 |
61 |
25330 |
◊ |
A |
x,y,z |
1_555 |
279 |
85 |
25546 |
2551.5 |
-23.3 |
0.184 |
30 |
8 |
0 |
0.151 |
Average: |
2554.8 |
-22.6 |
0.203 |
31 |
7 |
0 |
0.151 |
2 |
4 |
|
F |
61 |
19 |
4269 |
◊ |
E |
x,y,z |
1_555 |
63 |
18 |
25436 |
596.0 |
-9.2 |
0.145 |
5 |
0 |
0 |
0.063 |
5 |
|
D |
59 |
18 |
4416 |
◊ |
C |
x,y,z |
1_555 |
60 |
19 |
25330 |
591.3 |
-10.0 |
0.104 |
5 |
0 |
0 |
0.063 |
6 |
|
B |
58 |
19 |
4272 |
◊ |
A |
x,y,z |
1_555 |
56 |
16 |
25546 |
582.5 |
-10.2 |
0.083 |
4 |
0 |
0 |
0.063 |
Average: |
589.9 |
-9.8 |
0.111 |
5 |
0 |
0 |
0.063 |
3 |
7 |
|
E |
56 |
24 |
25436 |
◊ |
A |
x-1/2,-y+1/2,-z |
3_455 |
50 |
16 |
25546 |
546.6 |
5.7 |
0.962 |
12 |
15 |
0 |
0.000 |
4 |
8 |
|
[HEM]E:602 |
43 |
1 |
832 |
cf |
E |
x,y,z |
1_555 |
82 |
29 |
25436 |
534.7 |
-20.8 |
0.221 |
6 |
0 |
0 |
0.115 |
9 |
|
[HEM]A:601 |
43 |
1 |
834 |
cf |
A |
x,y,z |
1_555 |
87 |
28 |
25546 |
533.5 |
-17.4 |
0.549 |
6 |
0 |
0 |
0.115 |
10 |
|
[HEM]C:602 |
43 |
1 |
836 |
cf |
C |
x,y,z |
1_555 |
88 |
29 |
25330 |
533.5 |
-18.9 |
0.445 |
6 |
0 |
0 |
0.115 |
Average: |
533.9 |
-19.1 |
0.405 |
6 |
0 |
0 |
0.115 |
5 |
11 |
|
[HEM]E:603 |
43 |
1 |
819 |
cf |
E |
x,y,z |
1_555 |
84 |
29 |
25436 |
521.4 |
-20.6 |
0.216 |
3 |
0 |
0 |
0.112 |
12 |
|
[HEM]C:603 |
43 |
1 |
817 |
cf |
C |
x,y,z |
1_555 |
82 |
28 |
25330 |
515.9 |
-20.5 |
0.214 |
3 |
0 |
0 |
0.112 |
13 |
|
[HEM]A:602 |
43 |
1 |
820 |
cf |
A |
x,y,z |
1_555 |
82 |
29 |
25546 |
512.1 |
-20.6 |
0.210 |
2 |
0 |
0 |
0.112 |
Average: |
516.5 |
-20.6 |
0.213 |
3 |
0 |
0 |
0.112 |
6 |
14 |
|
[HEM]E:604 |
42 |
1 |
835 |
cf |
E |
x,y,z |
1_555 |
56 |
23 |
25436 |
515.0 |
-20.3 |
0.071 |
2 |
0 |
0 |
0.110 |
15 |
|
[HEM]A:603 |
42 |
1 |
831 |
cf |
A |
x,y,z |
1_555 |
57 |
24 |
25546 |
502.3 |
-20.4 |
0.074 |
2 |
0 |
0 |
0.110 |
16 |
|
[HEM]C:604 |
42 |
1 |
832 |
cf |
C |
x,y,z |
1_555 |
59 |
23 |
25330 |
492.7 |
-19.7 |
0.080 |
2 |
0 |
0 |
0.110 |
Average: |
503.3 |
-20.1 |
0.075 |
2 |
0 |
0 |
0.110 |
7 |
17 |
|
[HEM]C:606 |
43 |
1 |
793 |
cf |
C |
x,y,z |
1_555 |
84 |
29 |
25330 |
492.6 |
-17.5 |
0.417 |
5 |
0 |
0 |
0.106 |
18 |
|
[HEM]E:606 |
43 |
1 |
791 |
cf |
E |
x,y,z |
1_555 |
81 |
27 |
25436 |
489.9 |
-17.2 |
0.406 |
6 |
0 |
0 |
0.106 |
19 |
|
[HEM]A:605 |
43 |
1 |
791 |
cf |
A |
x,y,z |
1_555 |
82 |
28 |
25546 |
489.0 |
-18.2 |
0.329 |
5 |
0 |
0 |
0.106 |
Average: |
490.5 |
-17.6 |
0.384 |
5 |
0 |
0 |
0.106 |
8 |
20 |
|
[HEC]A:608 |
42 |
1 |
833 |
cf |
E |
x,y,z |
1_555 |
78 |
27 |
25436 |
486.4 |
-15.8 |
0.434 |
2 |
0 |
0 |
0.085 |
21 |
|
[HEC]C:601 |
42 |
1 |
830 |
cf |
A |
x,y,z |
1_555 |
74 |
26 |
25546 |
482.4 |
-14.7 |
0.541 |
2 |
0 |
0 |
0.085 |
22 |
|
[HEC]E:601 |
43 |
1 |
832 |
cf |
C |
x,y,z |
1_555 |
72 |
25 |
25330 |
480.1 |
-15.6 |
0.421 |
2 |
0 |
0 |
0.085 |
Average: |
483.0 |
-15.4 |
0.465 |
2 |
0 |
0 |
0.085 |
9 |
23 |
|
[HEM]A:604 |
43 |
1 |
832 |
cf |
A |
x,y,z |
1_555 |
76 |
23 |
25546 |
481.4 |
-19.8 |
0.177 |
3 |
0 |
0 |
0.111 |
24 |
|
[HEM]E:605 |
43 |
1 |
825 |
cf |
E |
x,y,z |
1_555 |
78 |
24 |
25436 |
480.6 |
-20.0 |
0.154 |
4 |
0 |
0 |
0.111 |
25 |
|
[HEM]C:605 |
43 |
1 |
830 |
cf |
C |
x,y,z |
1_555 |
79 |
23 |
25330 |
480.1 |
-20.0 |
0.174 |
4 |
0 |
0 |
0.111 |
Average: |
480.7 |
-19.9 |
0.168 |
4 |
0 |
0 |
0.111 |
10 |
26 |
|
[HEM]E:607 |
43 |
1 |
841 |
cf |
E |
x,y,z |
1_555 |
79 |
28 |
25436 |
463.7 |
-17.8 |
0.351 |
2 |
0 |
0 |
0.097 |
27 |
|
[HEM]C:607 |
43 |
1 |
843 |
cf |
C |
x,y,z |
1_555 |
78 |
29 |
25330 |
462.8 |
-17.9 |
0.366 |
2 |
0 |
0 |
0.097 |
28 |
|
[HEM]A:606 |
43 |
1 |
843 |
cf |
A |
x,y,z |
1_555 |
75 |
28 |
25546 |
461.9 |
-17.8 |
0.354 |
2 |
0 |
0 |
0.097 |
Average: |
462.8 |
-17.8 |
0.357 |
2 |
0 |
0 |
0.097 |
11 |
29 |
|
C |
44 |
13 |
25330 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
50 |
18 |
25546 |
447.7 |
1.4 |
0.825 |
2 |
5 |
0 |
0.000 |
12 |
30 |
|
D |
49 |
12 |
4416 |
◊ |
A |
x,y,z |
1_555 |
54 |
19 |
25546 |
444.6 |
-0.3 |
0.704 |
5 |
7 |
0 |
0.014 |
31 |
|
B |
47 |
13 |
4272 |
◊ |
E |
x,y,z |
1_555 |
53 |
19 |
25436 |
439.8 |
-0.4 |
0.691 |
5 |
6 |
0 |
0.014 |
32 |
|
F |
43 |
13 |
4269 |
◊ |
C |
x,y,z |
1_555 |
52 |
18 |
25330 |
435.4 |
-0.8 |
0.682 |
5 |
5 |
0 |
0.014 |
Average: |
439.9 |
-0.5 |
0.692 |
5 |
6 |
0 |
0.014 |
13 |
33 |
|
[HEM]C:608 |
42 |
1 |
815 |
cf |
C |
x,y,z |
1_555 |
58 |
21 |
25330 |
416.7 |
-14.7 |
0.134 |
0 |
0 |
0 |
0.076 |
34 |
|
[HEM]E:608 |
41 |
1 |
814 |
cf |
E |
x,y,z |
1_555 |
58 |
21 |
25436 |
412.8 |
-14.5 |
0.149 |
0 |
0 |
0 |
0.076 |
35 |
|
[HEM]A:607 |
42 |
1 |
813 |
cf |
A |
x,y,z |
1_555 |
56 |
21 |
25546 |
411.9 |
-14.6 |
0.134 |
0 |
0 |
0 |
0.076 |
Average: |
413.8 |
-14.6 |
0.139 |
0 |
0 |
0 |
0.076 |
14 |
36 |
|
C |
40 |
14 |
25330 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
34 |
10 |
25436 |
355.1 |
3.2 |
0.913 |
9 |
6 |
0 |
0.000 |
15 |
37 |
|
[HEM]C:608 |
27 |
1 |
815 |
◊ |
A |
x,y,z |
1_555 |
31 |
12 |
25546 |
239.9 |
-8.4 |
0.643 |
3 |
0 |
0 |
0.039 |
38 |
|
[HEM]A:607 |
27 |
1 |
813 |
◊ |
E |
x,y,z |
1_555 |
31 |
11 |
25436 |
238.3 |
-8.4 |
0.625 |
3 |
0 |
0 |
0.039 |
39 |
|
[HEM]E:608 |
28 |
1 |
814 |
◊ |
C |
x,y,z |
1_555 |
30 |
12 |
25330 |
238.2 |
-8.5 |
0.635 |
3 |
0 |
0 |
0.039 |
Average: |
238.8 |
-8.4 |
0.634 |
3 |
0 |
0 |
0.039 |
16 |
40 |
|
E |
21 |
5 |
25436 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
3_456 |
14 |
4 |
4416 |
172.2 |
0.5 |
0.618 |
4 |
2 |
0 |
0.000 |
17 |
41 |
|
E |
23 |
10 |
25436 |
◊ |
E |
-x,-y+1,z |
2_565 |
23 |
10 |
25436 |
139.8 |
1.4 |
0.828 |
0 |
0 |
0 |
0.000 |
18 |
42 |
|
[HEC]E:601 |
22 |
1 |
832 |
f |
[HEM]C:607 |
x,y,z |
1_555 |
20 |
1 |
843 |
122.9 |
-7.2 |
0.971 |
0 |
0 |
0 |
0.037 |
43 |
|
[HEC]C:601 |
22 |
1 |
830 |
f |
[HEM]A:606 |
x,y,z |
1_555 |
19 |
1 |
843 |
121.4 |
-7.2 |
0.965 |
0 |
0 |
0 |
0.037 |
44 |
|
[HEC]A:608 |
23 |
1 |
833 |
f |
[HEM]E:607 |
x,y,z |
1_555 |
19 |
1 |
841 |
120.8 |
-7.1 |
0.964 |
0 |
0 |
0 |
0.037 |
Average: |
121.7 |
-7.1 |
0.967 |
0 |
0 |
0 |
0.037 |
19 |
45 |
|
[HEM]E:604 |
13 |
1 |
835 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
25546 |
118.3 |
-6.1 |
0.457 |
4 |
0 |
0 |
0.032 |
46 |
|
[HEM]A:603 |
14 |
1 |
831 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
25330 |
116.9 |
-6.3 |
0.469 |
4 |
0 |
0 |
0.032 |
47 |
|
[HEM]C:604 |
12 |
1 |
832 |
◊ |
E |
x,y,z |
1_555 |
15 |
4 |
25436 |
109.9 |
-5.8 |
0.409 |
4 |
0 |
0 |
0.032 |
Average: |
115.0 |
-6.1 |
0.445 |
4 |
0 |
0 |
0.032 |
20 |
48 |
|
[HEM]C:603 |
22 |
1 |
817 |
f |
[HEM]C:602 |
x,y,z |
1_555 |
22 |
1 |
836 |
117.0 |
-6.0 |
0.998 |
0 |
0 |
0 |
0.031 |
49 |
|
[HEM]E:603 |
22 |
1 |
819 |
f |
[HEM]E:602 |
x,y,z |
1_555 |
22 |
1 |
832 |
116.7 |
-6.0 |
0.999 |
0 |
0 |
0 |
0.031 |
50 |
|
[HEM]A:602 |
23 |
1 |
820 |
f |
[HEM]A:601 |
x,y,z |
1_555 |
22 |
1 |
834 |
116.6 |
-6.0 |
0.999 |
0 |
0 |
0 |
0.031 |
Average: |
116.8 |
-6.0 |
0.999 |
0 |
0 |
0 |
0.031 |
21 |
51 |
|
[HEC]E:601 |
15 |
1 |
832 |
c |
E |
x,y,z |
1_555 |
15 |
4 |
25436 |
113.3 |
-2.2 |
0.560 |
0 |
0 |
0 |
0.009 |
52 |
|
[HEC]A:608 |
16 |
1 |
833 |
c |
A |
x,y,z |
1_555 |
14 |
4 |
25546 |
113.2 |
-2.2 |
0.544 |
0 |
0 |
0 |
0.009 |
53 |
|
[HEC]C:601 |
15 |
1 |
830 |
c |
C |
x,y,z |
1_555 |
14 |
4 |
25330 |
112.7 |
-2.2 |
0.554 |
0 |
0 |
0 |
0.009 |
Average: |
113.1 |
-2.2 |
0.553 |
0 |
0 |
0 |
0.009 |
22 |
54 |
|
[HEM]A:606 |
21 |
1 |
843 |
f |
[HEM]A:605 |
x,y,z |
1_555 |
15 |
1 |
791 |
93.2 |
-3.5 |
0.998 |
0 |
0 |
0 |
0.018 |
55 |
|
[HEM]E:607 |
20 |
1 |
841 |
f |
[HEM]E:606 |
x,y,z |
1_555 |
16 |
1 |
791 |
92.8 |
-3.5 |
0.999 |
0 |
0 |
0 |
0.018 |
56 |
|
[HEM]C:607 |
21 |
1 |
843 |
f |
[HEM]C:606 |
x,y,z |
1_555 |
16 |
1 |
793 |
90.6 |
-3.4 |
0.999 |
0 |
0 |
0 |
0.018 |
Average: |
92.2 |
-3.4 |
0.999 |
0 |
0 |
0 |
0.018 |
23 |
57 |
|
[PO4]E:609 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
16 |
6 |
25436 |
93.1 |
-6.5 |
0.718 |
1 |
0 |
0 |
0.034 |
24 |
58 |
|
[HEM]E:605 |
16 |
1 |
825 |
f |
[HEM]E:604 |
x,y,z |
1_555 |
15 |
1 |
835 |
83.0 |
-3.2 |
0.999 |
0 |
0 |
0 |
0.017 |
59 |
|
[HEM]A:604 |
16 |
1 |
832 |
f |
[HEM]A:603 |
x,y,z |
1_555 |
15 |
1 |
831 |
82.9 |
-3.2 |
0.998 |
0 |
0 |
0 |
0.017 |
60 |
|
[HEM]C:605 |
16 |
1 |
830 |
f |
[HEM]C:604 |
x,y,z |
1_555 |
16 |
1 |
832 |
80.4 |
-3.2 |
0.999 |
0 |
0 |
0 |
0.017 |
Average: |
82.1 |
-3.2 |
0.999 |
0 |
0 |
0 |
0.017 |
25 |
61 |
|
[HEM]E:605 |
8 |
1 |
825 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
25546 |
78.9 |
-2.8 |
0.560 |
2 |
0 |
0 |
0.015 |
62 |
|
[HEM]C:605 |
7 |
1 |
830 |
◊ |
E |
x,y,z |
1_555 |
15 |
4 |
25436 |
78.9 |
-3.0 |
0.456 |
2 |
0 |
0 |
0.015 |
63 |
|
[HEM]A:604 |
7 |
1 |
832 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
25330 |
78.0 |
-2.8 |
0.487 |
2 |
0 |
0 |
0.015 |
Average: |
78.6 |
-2.9 |
0.501 |
2 |
0 |
0 |
0.015 |
26 |
64 |
|
E |
10 |
3 |
25436 |
◊ |
C |
x-1/2,-y+1/2,-z |
3_455 |
13 |
5 |
25330 |
77.3 |
-1.1 |
0.448 |
0 |
0 |
0 |
0.000 |
27 |
65 |
|
[K]A:609 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
25330 |
72.9 |
-36.6 |
0.000 |
0 |
0 |
0 |
0.121 |
66 |
|
[K]A:609 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
25546 |
67.6 |
-33.8 |
0.000 |
0 |
0 |
0 |
0.121 |
67 |
|
[K]A:609 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
25436 |
64.3 |
-31.9 |
0.000 |
0 |
0 |
0 |
0.121 |
Average: |
68.3 |
-34.1 |
0.000 |
0 |
0 |
0 |
0.121 |
28 |
68 |
|
C |
12 |
6 |
25330 |
◊ |
A |
x-1/2,-y+1/2,-z |
3_455 |
11 |
5 |
25546 |
67.2 |
-0.2 |
0.558 |
0 |
1 |
0 |
0.000 |
29 |
69 |
|
[HEM]A:604 |
4 |
1 |
832 |
f |
[HEM]A:602 |
x,y,z |
1_555 |
12 |
1 |
820 |
62.1 |
-2.1 |
0.808 |
0 |
0 |
0 |
0.011 |
70 |
|
[HEM]E:605 |
4 |
1 |
825 |
f |
[HEM]E:603 |
x,y,z |
1_555 |
12 |
1 |
819 |
61.4 |
-2.1 |
0.800 |
0 |
0 |
0 |
0.011 |
71 |
|
[HEM]C:605 |
4 |
1 |
830 |
f |
[HEM]C:603 |
x,y,z |
1_555 |
13 |
1 |
817 |
61.3 |
-2.1 |
0.807 |
0 |
0 |
0 |
0.011 |
Average: |
61.6 |
-2.1 |
0.805 |
0 |
0 |
0 |
0.011 |
30 |
72 |
|
[HEM]A:607 |
13 |
1 |
813 |
f |
[HEM]A:605 |
x,y,z |
1_555 |
4 |
1 |
791 |
59.9 |
-1.9 |
0.812 |
0 |
0 |
0 |
0.010 |
73 |
|
[HEM]E:608 |
11 |
1 |
814 |
f |
[HEM]E:606 |
x,y,z |
1_555 |
4 |
1 |
791 |
59.5 |
-2.0 |
0.802 |
0 |
0 |
0 |
0.010 |
74 |
|
[HEM]C:608 |
12 |
1 |
815 |
f |
[HEM]C:606 |
x,y,z |
1_555 |
4 |
1 |
793 |
58.9 |
-1.9 |
0.813 |
0 |
0 |
0 |
0.010 |
Average: |
59.4 |
-1.9 |
0.809 |
0 |
0 |
0 |
0.010 |
31 |
75 |
|
[HEM]C:607 |
12 |
1 |
843 |
f |
[HEM]C:602 |
x,y,z |
1_555 |
5 |
1 |
836 |
58.6 |
-1.9 |
0.883 |
0 |
0 |
0 |
0.010 |
76 |
|
[HEM]A:606 |
12 |
1 |
843 |
f |
[HEM]A:601 |
x,y,z |
1_555 |
5 |
1 |
834 |
57.8 |
-1.9 |
0.887 |
0 |
0 |
0 |
0.010 |
77 |
|
[HEM]E:607 |
12 |
1 |
841 |
f |
[HEM]E:602 |
x,y,z |
1_555 |
5 |
1 |
832 |
57.7 |
-1.9 |
0.889 |
0 |
0 |
0 |
0.010 |
Average: |
58.0 |
-1.9 |
0.886 |
0 |
0 |
0 |
0.010 |
32 |
78 |
|
E |
7 |
3 |
25436 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
1 |
25546 |
55.2 |
0.4 |
0.733 |
1 |
0 |
0 |
0.000 |
33 |
79 |
|
[HEM]C:604 |
5 |
1 |
832 |
◊ |
A |
x-1/2,-y+1/2,-z |
3_455 |
7 |
2 |
25546 |
52.5 |
-1.0 |
0.687 |
0 |
0 |
0 |
0.000 |
34 |
80 |
|
A |
5 |
3 |
25546 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
5 |
3 |
25546 |
43.3 |
0.6 |
0.796 |
0 |
0 |
0 |
0.000 |
35 |
81 |
|
[HEC]A:608 |
5 |
1 |
833 |
f |
[HEM]E:606 |
x,y,z |
1_555 |
5 |
1 |
791 |
34.0 |
-2.0 |
0.701 |
0 |
0 |
0 |
0.011 |
82 |
|
[HEC]C:601 |
5 |
1 |
830 |
f |
[HEM]A:605 |
x,y,z |
1_555 |
5 |
1 |
791 |
33.4 |
-2.1 |
0.700 |
0 |
0 |
0 |
0.011 |
83 |
|
[HEC]E:601 |
5 |
1 |
832 |
f |
[HEM]C:606 |
x,y,z |
1_555 |
4 |
1 |
793 |
32.5 |
-2.0 |
0.679 |
0 |
0 |
0 |
0.011 |
Average: |
33.3 |
-2.0 |
0.693 |
0 |
0 |
0 |
0.011 |
36 |
84 |
|
B |
2 |
1 |
4272 |
◊ |
B |
-x,-y+1,z |
2_565 |
2 |
1 |
4272 |
21.6 |
1.5 |
0.929 |
0 |
0 |
0 |
0.000 |
37 |
85 |
|
C |
3 |
1 |
25330 |
◊ |
C |
-x,-y,z |
2_555 |
3 |
1 |
25330 |
21.3 |
-0.7 |
0.276 |
0 |
0 |
0 |
0.000 |
38 |
86 |
|
[HEM]E:607 |
1 |
1 |
841 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
25546 |
14.0 |
-0.2 |
0.515 |
0 |
0 |
0 |
0.000 |
87 |
|
[HEM]A:606 |
1 |
1 |
843 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
25330 |
12.4 |
-0.2 |
0.503 |
0 |
0 |
0 |
0.000 |
88 |
|
[HEM]C:607 |
1 |
1 |
843 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
25436 |
12.2 |
0.3 |
0.659 |
0 |
0 |
0 |
0.000 |
Average: |
12.9 |
-0.0 |
0.559 |
0 |
0 |
0 |
0.000 |
39 |
89 |
|
E |
4 |
2 |
25436 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
3_456 |
1 |
1 |
25546 |
10.6 |
0.3 |
0.754 |
0 |
0 |
0 |
0.000 |
40 |
90 |
|
[PO4]E:609 |
2 |
1 |
187 |
◊ |
C |
x-1/2,-y+1/2,-z |
3_455 |
2 |
1 |
25330 |
9.8 |
-0.5 |
0.735 |
0 |
0 |
0 |
0.000 |
41 |
91 |
|
[HEM]E:605 |
1 |
1 |
825 |
◊ |
[HEM]A:607 |
x,y,z |
1_555 |
1 |
1 |
813 |
7.2 |
-0.8 |
0.256 |
0 |
0 |
0 |
0.003 |
92 |
|
[HEM]E:608 |
1 |
1 |
814 |
◊ |
[HEM]C:605 |
x,y,z |
1_555 |
1 |
1 |
830 |
6.8 |
-0.7 |
0.289 |
0 |
0 |
0 |
0.003 |
93 |
|
[HEM]C:608 |
1 |
1 |
815 |
◊ |
[HEM]A:604 |
x,y,z |
1_555 |
1 |
1 |
832 |
6.6 |
-0.7 |
0.302 |
0 |
0 |
0 |
0.003 |
Average: |
6.9 |
-0.7 |
0.282 |
0 |
0 |
0 |
0.003 |
42 |
94 |
|
B |
1 |
1 |
4272 |
◊ |
E |
-x,-y+1,z |
2_565 |
1 |
1 |
25436 |
1.3 |
-0.0 |
0.523 |
0 |
0 |
0 |
0.000 |
43 |
95 |
|
E |
1 |
1 |
25436 |
◊ |
[HEM]A:603 |
x-1/2,-y+1/2,-z |
3_455 |
1 |
1 |
831 |
0.2 |
0.0 |
0.825 |
0 |
0 |
0 |
0.000 |
|