| ## |
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 |
|
H |
118 |
30 |
8977 |
◊ |
G |
x,y,z |
1_555 |
117 |
31 |
9116 |
1252.8 |
-7.1 |
0.535 |
25 |
15 |
0 |
0.210 |
2 |
|
J |
118 |
31 |
9117 |
◊ |
I |
x,y,z |
1_555 |
117 |
31 |
8898 |
1247.4 |
-6.0 |
0.562 |
27 |
15 |
0 |
0.210 |
3 |
|
B |
118 |
31 |
9014 |
◊ |
A |
x,y,z |
1_555 |
120 |
32 |
9153 |
1244.8 |
-5.7 |
0.588 |
26 |
15 |
0 |
0.210 |
4 |
|
D |
116 |
31 |
9134 |
◊ |
C |
x,y,z |
1_555 |
118 |
31 |
8922 |
1243.6 |
-5.5 |
0.611 |
26 |
14 |
0 |
0.210 |
5 |
|
L |
112 |
30 |
8968 |
◊ |
K |
x,y,z |
1_555 |
118 |
31 |
9010 |
1235.8 |
-6.3 |
0.604 |
25 |
15 |
0 |
0.210 |
6 |
|
F |
116 |
30 |
8934 |
◊ |
E |
x,y,z |
1_555 |
115 |
30 |
9143 |
1227.7 |
-6.0 |
0.593 |
30 |
13 |
0 |
0.210 |
| Average: |
1242.0 |
-6.1 |
0.582 |
27 |
15 |
0 |
0.210 |
| 2 |
7 |
|
K |
51 |
14 |
9010 |
◊ |
I |
x,y,z |
1_555 |
53 |
13 |
8898 |
504.6 |
-3.7 |
0.475 |
3 |
3 |
0 |
0.053 |
8 |
|
E |
52 |
15 |
9143 |
◊ |
C |
x,y,z |
1_555 |
52 |
14 |
8922 |
498.1 |
-3.4 |
0.494 |
4 |
4 |
0 |
0.053 |
9 |
|
L |
45 |
12 |
8968 |
◊ |
G |
x,y,z |
1_555 |
53 |
15 |
9116 |
481.4 |
-4.9 |
0.380 |
1 |
2 |
0 |
0.053 |
10 |
|
F |
52 |
14 |
8934 |
◊ |
A |
x,y,z |
1_555 |
48 |
14 |
9153 |
478.7 |
-5.1 |
0.350 |
2 |
2 |
0 |
0.053 |
11 |
|
D |
44 |
15 |
9134 |
◊ |
B |
x,y,z |
1_555 |
48 |
13 |
9014 |
474.4 |
-4.7 |
0.327 |
2 |
1 |
0 |
0.053 |
12 |
|
J |
50 |
13 |
9117 |
◊ |
H |
x,y,z |
1_555 |
45 |
12 |
8977 |
465.2 |
-5.4 |
0.310 |
2 |
0 |
0 |
0.053 |
| Average: |
483.7 |
-4.5 |
0.389 |
2 |
2 |
0 |
0.053 |
| 3 |
13 |
|
E |
40 |
13 |
9143 |
◊ |
D |
x,y,z |
1_555 |
45 |
12 |
9134 |
428.8 |
-5.2 |
0.282 |
1 |
2 |
0 |
0.057 |
14 |
|
E |
42 |
10 |
9143 |
◊ |
A |
x,y,z |
1_555 |
45 |
14 |
9153 |
423.9 |
-6.5 |
0.204 |
0 |
0 |
0 |
0.057 |
15 |
|
K |
41 |
13 |
9010 |
◊ |
J |
x,y,z |
1_555 |
42 |
10 |
9117 |
415.4 |
-5.9 |
0.238 |
0 |
0 |
0 |
0.057 |
16 |
|
D |
41 |
13 |
9134 |
◊ |
A |
x,y,z |
1_555 |
41 |
11 |
9153 |
413.3 |
-5.8 |
0.222 |
2 |
2 |
0 |
0.057 |
17 |
|
J |
41 |
13 |
9117 |
◊ |
G |
x,y,z |
1_555 |
43 |
11 |
9116 |
412.0 |
-5.8 |
0.246 |
0 |
1 |
0 |
0.057 |
18 |
|
K |
39 |
9 |
9010 |
◊ |
G |
x,y,z |
1_555 |
36 |
12 |
9116 |
406.6 |
-5.4 |
0.247 |
0 |
1 |
0 |
0.057 |
| Average: |
416.7 |
-5.8 |
0.240 |
1 |
1 |
0 |
0.057 |
| 4 |
19 |
|
G |
34 |
11 |
9116 |
◊ |
B |
x,y,z |
1_555 |
39 |
13 |
9014 |
360.4 |
-2.9 |
0.441 |
1 |
1 |
0 |
0.039 |
20 |
|
H |
40 |
11 |
8977 |
◊ |
A |
x,y,z |
1_555 |
35 |
11 |
9153 |
352.1 |
-2.6 |
0.464 |
2 |
1 |
0 |
0.039 |
21 |
|
I |
36 |
11 |
8898 |
◊ |
D |
x,-y+1,-z+2 |
4_567 |
34 |
10 |
9134 |
349.9 |
-2.6 |
0.415 |
3 |
1 |
0 |
0.039 |
22 |
|
J |
35 |
11 |
9117 |
◊ |
C |
x,-y+1,-z+2 |
4_567 |
37 |
10 |
8922 |
340.1 |
-4.9 |
0.273 |
1 |
0 |
0 |
0.039 |
23 |
|
L |
33 |
8 |
8968 |
◊ |
K |
x,-y+1,-z+2 |
4_567 |
31 |
10 |
9010 |
302.5 |
-4.7 |
0.263 |
0 |
0 |
0 |
0.039 |
24 |
|
F |
32 |
8 |
8934 |
◊ |
E |
x,-y+1,-z+2 |
4_567 |
28 |
10 |
9143 |
287.9 |
-5.8 |
0.134 |
0 |
0 |
0 |
0.039 |
| Average: |
332.2 |
-3.9 |
0.332 |
1 |
1 |
0 |
0.039 |
| 5 |
25 |
|
E |
33 |
9 |
9143 |
◊ |
E |
-x+1,y,-z+3/2 |
3_656 |
33 |
9 |
9143 |
277.7 |
3.9 |
0.927 |
2 |
2 |
0 |
0.000 |
| 6 |
26 |
|
L |
26 |
8 |
8968 |
◊ |
L |
-x,y,-z+3/2 |
3_556 |
26 |
8 |
8968 |
239.8 |
-3.7 |
0.295 |
0 |
0 |
0 |
0.000 |
| 7 |
27 |
|
H |
13 |
3 |
8977 |
◊ |
C |
-x+1/2,y-1/2,-z+3/2 |
7_546 |
18 |
6 |
8922 |
122.4 |
-0.3 |
0.616 |
1 |
0 |
0 |
0.000 |
| 8 |
28 |
|
H |
12 |
4 |
8977 |
◊ |
D |
-x+1/2,y-1/2,-z+3/2 |
7_546 |
13 |
5 |
9134 |
118.9 |
-0.6 |
0.580 |
0 |
0 |
0 |
0.000 |
| 9 |
29 |
|
K |
13 |
3 |
9010 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
19 |
5 |
8922 |
116.4 |
0.4 |
0.724 |
0 |
0 |
0 |
0.000 |
| 10 |
30 |
|
[FE]I:927 |
1 |
1 |
137 |
f |
I |
x,y,z |
1_555 |
10 |
6 |
8898 |
72.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.252 |
31 |
|
[FE]K:933 |
1 |
1 |
137 |
f |
K |
x,y,z |
1_555 |
11 |
6 |
9010 |
72.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.252 |
32 |
|
[FE]A:903 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
9153 |
72.2 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.252 |
33 |
|
[FE]H:924 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
10 |
6 |
8977 |
72.1 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.252 |
34 |
|
[FE]E:915 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
9143 |
72.0 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.252 |
35 |
|
[FE]C:909 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
8922 |
71.5 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.252 |
36 |
|
[FE]B:906 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
9014 |
71.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.252 |
37 |
|
[FE]L:936 |
1 |
1 |
137 |
f |
L |
x,y,z |
1_555 |
8 |
4 |
8968 |
71.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.252 |
38 |
|
[FE]J:930 |
1 |
1 |
137 |
f |
J |
x,y,z |
1_555 |
10 |
6 |
9117 |
70.8 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.252 |
39 |
|
[FE]F:918 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
8934 |
70.6 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.252 |
40 |
|
[FE]G:921 |
1 |
1 |
137 |
cf |
G |
x,y,z |
1_555 |
8 |
4 |
9116 |
70.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.252 |
41 |
|
[FE]D:912 |
1 |
1 |
137 |
cf |
D |
x,y,z |
1_555 |
8 |
4 |
9134 |
70.1 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.252 |
| Average: |
71.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.252 |
| 11 |
42 |
|
I |
7 |
3 |
8898 |
◊ |
I |
-x,y,-z+5/2 |
3_557 |
6 |
3 |
8898 |
61.0 |
0.6 |
0.782 |
0 |
0 |
0 |
0.000 |
| 12 |
43 |
|
[FE]E:913 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
15 |
9 |
9143 |
61.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.428 |
44 |
|
[FE]K:931 |
1 |
1 |
137 |
f |
K |
x,y,z |
1_555 |
13 |
8 |
9010 |
59.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.428 |
45 |
|
[FE]F:916 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
15 |
10 |
8934 |
59.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.428 |
46 |
|
[FE]L:934 |
1 |
1 |
137 |
f |
L |
x,y,z |
1_555 |
14 |
10 |
8968 |
58.8 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.428 |
47 |
|
[FE]A:901 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
9153 |
58.7 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.428 |
48 |
|
[FE]B:904 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
9014 |
58.1 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.428 |
49 |
|
[FE]C:907 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
8922 |
57.5 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.428 |
50 |
|
[FE]I:925 |
1 |
1 |
137 |
f |
I |
x,y,z |
1_555 |
14 |
9 |
8898 |
57.2 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.428 |
51 |
|
[FE]H:922 |
1 |
1 |
137 |
cf |
H |
x,y,z |
1_555 |
14 |
9 |
8977 |
57.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.428 |
52 |
|
[FE]D:910 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
7 |
6 |
9134 |
56.8 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.428 |
53 |
|
[FE]L:935 |
1 |
1 |
137 |
cf |
L |
x,y,z |
1_555 |
13 |
8 |
8968 |
56.8 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.428 |
54 |
|
[FE]J:928 |
1 |
1 |
137 |
cf |
J |
x,y,z |
1_555 |
13 |
9 |
9117 |
56.4 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.428 |
55 |
|
[FE]F:917 |
1 |
1 |
137 |
cf |
F |
x,y,z |
1_555 |
12 |
8 |
8934 |
56.1 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.428 |
56 |
|
[FE]G:919 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
13 |
7 |
9116 |
56.0 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.428 |
57 |
|
[FE]A:902 |
1 |
1 |
137 |
cf |
A |
x,y,z |
1_555 |
14 |
7 |
9153 |
56.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.428 |
58 |
|
[FE]B:905 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
9014 |
55.9 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.428 |
59 |
|
[FE]K:932 |
1 |
1 |
137 |
f |
K |
x,y,z |
1_555 |
10 |
6 |
9010 |
55.7 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.428 |
60 |
|
[FE]C:908 |
1 |
1 |
137 |
cf |
C |
x,y,z |
1_555 |
9 |
5 |
8922 |
55.2 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.428 |
61 |
|
[FE]H:923 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
10 |
6 |
8977 |
54.3 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.428 |
62 |
|
[FE]I:926 |
1 |
1 |
137 |
cf |
I |
x,y,z |
1_555 |
9 |
6 |
8898 |
53.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.428 |
63 |
|
[FE]D:911 |
1 |
1 |
137 |
cf |
D |
x,y,z |
1_555 |
5 |
3 |
9134 |
53.2 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.428 |
64 |
|
[FE]J:929 |
1 |
1 |
137 |
cf |
J |
x,y,z |
1_555 |
7 |
5 |
9117 |
53.0 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.428 |
65 |
|
[FE]G:920 |
1 |
1 |
137 |
cf |
G |
x,y,z |
1_555 |
9 |
5 |
9116 |
52.8 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.428 |
| Average: |
56.5 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.428 |
| 13 |
66 |
|
[FE]E:914 |
1 |
1 |
137 |
cf |
E |
x,y,z |
1_555 |
9 |
5 |
9143 |
56.4 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.105 |
| 14 |
67 |
|
L |
4 |
2 |
8968 |
◊ |
B |
-x,y,-z+3/2 |
3_556 |
7 |
3 |
9014 |
48.0 |
0.6 |
0.790 |
1 |
2 |
0 |
0.000 |
| 15 |
68 |
|
B |
4 |
1 |
9014 |
◊ |
C |
-x+1/2,y-1/2,-z+3/2 |
7_546 |
4 |
2 |
8922 |
41.3 |
0.2 |
0.687 |
1 |
2 |
0 |
0.000 |
| 16 |
69 |
|
J |
4 |
3 |
9117 |
◊ |
F |
x-1/2,-y+1/2,-z+2 |
8_457 |
3 |
2 |
8934 |
37.4 |
2.1 |
0.945 |
0 |
0 |
0 |
0.000 |
| 17 |
70 |
|
L |
3 |
1 |
8968 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
9014 |
36.6 |
0.9 |
0.839 |
1 |
0 |
0 |
0.000 |
71 |
|
H |
1 |
1 |
8977 |
◊ |
C |
x,-y+1,-z+2 |
4_567 |
1 |
1 |
8922 |
0.8 |
0.0 |
0.744 |
0 |
0 |
0 |
0.000 |
| Average: |
18.7 |
0.5 |
0.792 |
1 |
0 |
0 |
0.000 |
| 18 |
72 |
|
H |
5 |
3 |
8977 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
9014 |
30.1 |
-0.2 |
0.599 |
0 |
0 |
0 |
0.000 |
73 |
|
L |
4 |
3 |
8968 |
◊ |
L |
x,-y+1,-z+2 |
4_567 |
4 |
3 |
8968 |
21.9 |
0.1 |
0.696 |
0 |
0 |
0 |
0.000 |
74 |
|
I |
3 |
3 |
8898 |
◊ |
C |
x,-y+1,-z+2 |
4_567 |
4 |
3 |
8922 |
10.1 |
0.2 |
0.734 |
0 |
0 |
0 |
0.000 |
75 |
|
F |
5 |
3 |
8934 |
◊ |
F |
x,-y+1,-z+2 |
4_567 |
5 |
3 |
8934 |
9.5 |
0.1 |
0.701 |
0 |
0 |
0 |
0.000 |
| Average: |
17.9 |
0.1 |
0.682 |
0 |
0 |
0 |
0.000 |
| 19 |
76 |
|
[FE]G:920 |
1 |
1 |
137 |
f |
[FE]G:919 |
x,y,z |
1_555 |
1 |
1 |
137 |
30.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.059 |
| 20 |
77 |
|
[FE]H:923 |
1 |
1 |
137 |
f |
[FE]H:922 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.057 |
| 21 |
78 |
|
E |
5 |
2 |
9143 |
◊ |
D |
-x+1,y,-z+3/2 |
3_656 |
2 |
1 |
9134 |
29.0 |
1.6 |
0.914 |
1 |
0 |
0 |
0.000 |
| 22 |
79 |
|
[FE]B:905 |
1 |
1 |
137 |
f |
[FE]B:904 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.058 |
| 23 |
80 |
|
[FE]I:926 |
1 |
1 |
137 |
f |
[FE]I:925 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.057 |
| 24 |
81 |
|
[FE]C:908 |
1 |
1 |
137 |
f |
[FE]C:907 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.056 |
| 25 |
82 |
|
[FE]F:917 |
1 |
1 |
137 |
f |
[FE]F:916 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.055 |
| 26 |
83 |
|
[FE]J:929 |
1 |
1 |
137 |
f |
[FE]J:928 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.055 |
| 27 |
84 |
|
[FE]L:935 |
1 |
1 |
137 |
f |
[FE]L:934 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.055 |
| 28 |
85 |
|
[FE]D:911 |
1 |
1 |
137 |
f |
[FE]D:910 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.054 |
| 29 |
86 |
|
[FE]E:914 |
1 |
1 |
137 |
f |
[FE]E:913 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.052 |
| 30 |
87 |
|
[FE]A:902 |
1 |
1 |
137 |
f |
[FE]A:901 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.053 |
| 31 |
88 |
|
[FE]K:932 |
1 |
1 |
137 |
f |
[FE]K:931 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.052 |
| 32 |
89 |
|
A |
1 |
1 |
9153 |
◊ |
I |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
2 |
1 |
8898 |
13.6 |
-0.4 |
0.248 |
0 |
0 |
0 |
0.000 |
| 33 |
90 |
|
H |
2 |
2 |
8977 |
◊ |
I |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
3 |
2 |
8898 |
12.4 |
0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
| 34 |
91 |
|
[FE]G:921 |
1 |
1 |
137 |
f |
[FE]G:920 |
x,y,z |
1_555 |
1 |
1 |
137 |
7.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.014 |
| 35 |
92 |
|
[FE]F:918 |
1 |
1 |
137 |
f |
[FE]F:917 |
x,y,z |
1_555 |
1 |
1 |
137 |
6.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.013 |
| 36 |
93 |
|
[FE]K:933 |
1 |
1 |
137 |
f |
[FE]K:932 |
x,y,z |
1_555 |
1 |
1 |
137 |
6.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.012 |
| 37 |
94 |
|
[FE]A:903 |
1 |
1 |
137 |
f |
[FE]A:902 |
x,y,z |
1_555 |
1 |
1 |
137 |
5.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.012 |
| 38 |
95 |
|
[FE]D:912 |
1 |
1 |
137 |
f |
[FE]D:911 |
x,y,z |
1_555 |
1 |
1 |
137 |
5.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| 39 |
96 |
|
[FE]J:930 |
1 |
1 |
137 |
f |
[FE]J:929 |
x,y,z |
1_555 |
1 |
1 |
137 |
5.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| 40 |
97 |
|
[FE]H:924 |
1 |
1 |
137 |
f |
[FE]H:923 |
x,y,z |
1_555 |
1 |
1 |
137 |
5.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| 41 |
98 |
|
[FE]I:927 |
1 |
1 |
137 |
f |
[FE]I:926 |
x,y,z |
1_555 |
1 |
1 |
137 |
5.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.010 |
| 42 |
99 |
|
G |
1 |
1 |
9116 |
◊ |
E |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
9143 |
5.1 |
0.1 |
0.811 |
0 |
0 |
0 |
0.000 |
| 43 |
100 |
|
[FE]E:915 |
1 |
1 |
137 |
f |
[FE]E:914 |
x,y,z |
1_555 |
1 |
1 |
137 |
4.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.010 |
| 44 |
101 |
|
[FE]C:909 |
1 |
1 |
137 |
f |
[FE]C:908 |
x,y,z |
1_555 |
1 |
1 |
137 |
4.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.010 |
| 45 |
102 |
|
[FE]L:936 |
1 |
1 |
137 |
f |
[FE]L:935 |
x,y,z |
1_555 |
1 |
1 |
137 |
4.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| 46 |
103 |
|
[FE]B:906 |
1 |
1 |
137 |
f |
[FE]B:905 |
x,y,z |
1_555 |
1 |
1 |
137 |
3.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.008 |
| 47 |
104 |
|
G |
1 |
1 |
9116 |
◊ |
D |
-x+1/2,y-1/2,-z+3/2 |
7_546 |
1 |
1 |
9134 |
3.7 |
0.1 |
0.798 |
0 |
0 |
0 |
0.000 |
| 48 |
105 |
|
A |
1 |
1 |
9153 |
◊ |
J |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
2 |
1 |
9117 |
1.6 |
0.0 |
0.689 |
0 |
0 |
0 |
0.000 |
|