## |
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 |
94 |
22 |
8357 |
◊ |
G |
x,y,z |
1_555 |
94 |
21 |
8401 |
844.2 |
-10.9 |
0.171 |
12 |
8 |
0 |
0.172 |
2 |
|
F |
94 |
22 |
8505 |
◊ |
E |
x,y,z |
1_555 |
95 |
23 |
8543 |
838.5 |
-10.9 |
0.155 |
10 |
8 |
0 |
0.172 |
3 |
|
D |
94 |
22 |
8442 |
◊ |
C |
x,y,z |
1_555 |
93 |
21 |
8396 |
836.6 |
-10.8 |
0.169 |
12 |
8 |
0 |
0.172 |
4 |
|
B |
95 |
22 |
8419 |
◊ |
A |
x,y,z |
1_555 |
94 |
23 |
8348 |
834.0 |
-10.9 |
0.161 |
11 |
9 |
0 |
0.172 |
Average: |
838.3 |
-10.9 |
0.164 |
11 |
8 |
0 |
0.172 |
2 |
5 |
|
G |
56 |
16 |
8401 |
x |
E |
x,y,z |
1_555 |
51 |
12 |
8543 |
474.6 |
-3.9 |
0.314 |
6 |
8 |
0 |
0.192 |
6 |
|
C |
52 |
12 |
8396 |
x |
B |
x,y,z |
1_555 |
57 |
15 |
8419 |
468.8 |
-4.1 |
0.274 |
5 |
9 |
0 |
0.192 |
7 |
|
A |
56 |
15 |
8348 |
x |
G |
-y+1,x-y,z |
2_655 |
47 |
11 |
8401 |
465.4 |
-4.0 |
0.244 |
6 |
9 |
0 |
0.192 |
8 |
|
H |
48 |
12 |
8357 |
x |
H |
-y+1,x-y,z |
2_655 |
53 |
15 |
8357 |
465.1 |
-5.2 |
0.215 |
6 |
8 |
0 |
0.192 |
9 |
|
F |
48 |
12 |
8505 |
x |
C |
x,y,z |
1_555 |
56 |
15 |
8396 |
463.5 |
-4.2 |
0.280 |
6 |
9 |
0 |
0.192 |
10 |
|
D |
53 |
16 |
8442 |
x |
D |
-y+1,x-y,z |
2_655 |
50 |
12 |
8442 |
461.2 |
-4.8 |
0.257 |
5 |
8 |
0 |
0.192 |
11 |
|
A |
47 |
11 |
8348 |
x |
E |
-y+1,x-y,z |
2_655 |
53 |
15 |
8543 |
458.7 |
-4.7 |
0.224 |
5 |
8 |
0 |
0.192 |
12 |
|
F |
51 |
15 |
8505 |
x |
B |
x,y,z |
1_555 |
48 |
11 |
8419 |
457.8 |
-4.6 |
0.200 |
6 |
8 |
0 |
0.192 |
Average: |
464.4 |
-4.4 |
0.251 |
6 |
8 |
0 |
0.192 |
3 |
13 |
|
F |
45 |
15 |
8505 |
◊ |
A |
x,y,z |
1_555 |
47 |
11 |
8348 |
437.6 |
-2.1 |
0.507 |
6 |
2 |
0 |
0.124 |
14 |
|
E |
49 |
11 |
8543 |
◊ |
C |
x,y,z |
1_555 |
43 |
15 |
8396 |
437.6 |
-1.4 |
0.550 |
7 |
2 |
0 |
0.124 |
15 |
|
G |
43 |
15 |
8401 |
◊ |
F |
x,y,z |
1_555 |
50 |
12 |
8505 |
426.8 |
-2.5 |
0.456 |
5 |
0 |
0 |
0.124 |
16 |
|
D |
50 |
11 |
8442 |
◊ |
B |
x,y,z |
1_555 |
41 |
14 |
8419 |
420.2 |
-2.7 |
0.427 |
6 |
1 |
0 |
0.124 |
17 |
|
B |
46 |
11 |
8419 |
◊ |
E |
-y+1,x-y,z |
2_655 |
42 |
14 |
8543 |
418.2 |
-2.6 |
0.412 |
6 |
1 |
0 |
0.124 |
18 |
|
D |
40 |
14 |
8442 |
◊ |
C |
-y+1,x-y,z |
2_655 |
47 |
11 |
8396 |
412.0 |
-3.6 |
0.433 |
6 |
2 |
0 |
0.124 |
19 |
|
A |
42 |
13 |
8348 |
◊ |
H |
-y+1,x-y,z |
2_655 |
51 |
11 |
8357 |
407.4 |
-5.1 |
0.342 |
5 |
0 |
0 |
0.124 |
20 |
|
G |
44 |
11 |
8401 |
◊ |
H |
-y+1,x-y,z |
2_655 |
37 |
13 |
8357 |
399.6 |
-2.5 |
0.445 |
6 |
0 |
0 |
0.124 |
Average: |
419.9 |
-2.8 |
0.446 |
6 |
1 |
0 |
0.124 |
4 |
21 |
|
[HEM]E:3003 |
38 |
1 |
838 |
f |
E |
x,y,z |
1_555 |
41 |
13 |
8543 |
341.9 |
-11.0 |
0.299 |
0 |
0 |
0 |
0.198 |
22 |
|
[HEM]B:3001 |
39 |
1 |
837 |
f |
B |
x,y,z |
1_555 |
39 |
13 |
8419 |
341.4 |
-10.6 |
0.337 |
0 |
0 |
0 |
0.198 |
23 |
|
[HEM]H:3004 |
39 |
1 |
840 |
f |
H |
x,y,z |
1_555 |
39 |
13 |
8357 |
338.0 |
-10.8 |
0.287 |
0 |
0 |
0 |
0.198 |
24 |
|
[HEM]D:3002 |
40 |
1 |
839 |
f |
C |
x,y,z |
1_555 |
40 |
13 |
8396 |
333.3 |
-10.6 |
0.318 |
0 |
0 |
0 |
0.198 |
Average: |
338.6 |
-10.7 |
0.310 |
0 |
0 |
0 |
0.198 |
5 |
25 |
|
[HEM]B:3001 |
39 |
1 |
837 |
◊ |
A |
x,y,z |
1_555 |
44 |
14 |
8348 |
335.1 |
-9.5 |
0.488 |
0 |
0 |
0 |
0.105 |
26 |
|
[HEM]D:3002 |
40 |
1 |
839 |
◊ |
D |
x,y,z |
1_555 |
39 |
13 |
8442 |
331.9 |
-10.6 |
0.275 |
0 |
0 |
0 |
0.105 |
27 |
|
[HEM]E:3003 |
40 |
1 |
838 |
◊ |
F |
x,y,z |
1_555 |
40 |
13 |
8505 |
330.9 |
-10.7 |
0.268 |
0 |
0 |
0 |
0.105 |
28 |
|
[HEM]H:3004 |
40 |
1 |
840 |
◊ |
G |
x,y,z |
1_555 |
39 |
13 |
8401 |
329.2 |
-10.4 |
0.296 |
0 |
0 |
0 |
0.105 |
Average: |
331.8 |
-10.3 |
0.332 |
0 |
0 |
0 |
0.105 |
6 |
29 |
|
F |
26 |
10 |
8505 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
23 |
10 |
8419 |
177.7 |
-1.2 |
0.535 |
0 |
0 |
0 |
0.000 |
30 |
|
E |
19 |
9 |
8543 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
22 |
9 |
8348 |
122.9 |
-0.6 |
0.605 |
0 |
0 |
0 |
0.000 |
Average: |
150.3 |
-0.9 |
0.570 |
0 |
0 |
0 |
0.000 |
7 |
31 |
|
H |
15 |
6 |
8357 |
◊ |
D |
x+2/3,y+1/3,z+1/3 |
4_555 |
16 |
6 |
8442 |
105.4 |
2.1 |
0.870 |
1 |
2 |
0 |
0.000 |
8 |
32 |
|
G |
10 |
3 |
8401 |
◊ |
C |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
8 |
3 |
8396 |
96.8 |
1.0 |
0.804 |
2 |
4 |
0 |
0.001 |
9 |
33 |
|
[FE2]F:1601 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
12 |
8 |
8505 |
62.6 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.267 |
34 |
|
[FE2]H:1601 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
15 |
9 |
8357 |
62.5 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.267 |
35 |
|
[FE2]B:1601 |
1 |
1 |
137 |
cf |
B |
x,y,z |
1_555 |
15 |
9 |
8419 |
62.4 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.267 |
36 |
|
[FE2]D:1601 |
1 |
1 |
137 |
cf |
D |
x,y,z |
1_555 |
13 |
8 |
8442 |
62.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.267 |
37 |
|
[FE2]A:1601 |
1 |
1 |
137 |
cf |
A |
x,y,z |
1_555 |
14 |
8 |
8348 |
61.7 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.267 |
38 |
|
[FE2]E:1601 |
1 |
1 |
137 |
cf |
E |
x,y,z |
1_555 |
10 |
7 |
8543 |
61.7 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.267 |
39 |
|
[FE2]G:1601 |
1 |
1 |
137 |
cf |
G |
x,y,z |
1_555 |
13 |
8 |
8401 |
61.4 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.267 |
40 |
|
[FE2]C:1601 |
1 |
1 |
137 |
cf |
C |
x,y,z |
1_555 |
9 |
5 |
8396 |
61.3 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.267 |
Average: |
62.0 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.267 |
10 |
41 |
|
[FE2]E:1600 |
1 |
1 |
137 |
cf |
E |
x,y,z |
1_555 |
7 |
4 |
8543 |
58.9 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.269 |
42 |
|
[FE2]H:1600 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
7 |
4 |
8357 |
58.9 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.269 |
43 |
|
[FE2]D:1600 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
8442 |
58.8 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.269 |
44 |
|
[FE2]G:1600 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
7 |
4 |
8401 |
58.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.269 |
45 |
|
[FE2]C:1600 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
8396 |
58.6 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.269 |
46 |
|
[FE2]F:1600 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
8505 |
58.5 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.269 |
47 |
|
[FE2]B:1600 |
1 |
1 |
137 |
cf |
B |
x,y,z |
1_555 |
8 |
4 |
8419 |
58.4 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.269 |
48 |
|
[FE2]A:1600 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8348 |
58.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.269 |
Average: |
58.6 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.269 |
11 |
49 |
|
F |
5 |
2 |
8505 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
10 |
3 |
8348 |
48.8 |
-0.4 |
0.576 |
0 |
0 |
0 |
0.000 |
50 |
|
E |
5 |
2 |
8543 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
8 |
3 |
8419 |
47.9 |
2.0 |
0.891 |
0 |
0 |
0 |
0.000 |
Average: |
48.3 |
0.8 |
0.733 |
0 |
0 |
0 |
0.000 |
12 |
51 |
|
[MG]G:1701 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
8357 |
41.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.042 |
52 |
|
[MG]G:1701 |
1 |
1 |
98 |
◊ |
D |
x+2/3,y+1/3,z+1/3 |
4_555 |
6 |
3 |
8442 |
41.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.042 |
53 |
|
[MG]G:1702 |
1 |
1 |
98 |
◊ |
C |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
4 |
2 |
8396 |
39.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.042 |
54 |
|
[MG]G:1702 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
8401 |
38.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.042 |
Average: |
40.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.042 |
13 |
55 |
|
[MG]F:1701 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
8505 |
40.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.098 |
56 |
|
[MG]G:1707 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
7 |
4 |
8401 |
40.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.098 |
57 |
|
[MG]H:1706 |
1 |
1 |
98 |
f |
H |
-y+1,x-y,z |
2_655 |
6 |
4 |
8357 |
40.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.098 |
58 |
|
[MG]C:1703 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
8396 |
39.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.098 |
59 |
|
D |
6 |
4 |
8442 |
f |
[MG]D:1704 |
-y+1,x-y,z |
2_655 |
1 |
1 |
98 |
39.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.098 |
60 |
|
[MG]E:1705 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
8543 |
39.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.098 |
61 |
|
[MG]B:1702 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
8419 |
36.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.098 |
62 |
|
[MG]A:1701 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
8348 |
35.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.098 |
Average: |
38.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.098 |
14 |
63 |
|
[FE2]B:1602 |
1 |
1 |
137 |
◊ |
C |
-y+1,x-y,z |
2_655 |
6 |
2 |
8396 |
35.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.066 |
64 |
|
F |
6 |
2 |
8505 |
◊ |
[FE2]G:1602 |
-y+1,x-y,z |
2_655 |
1 |
1 |
137 |
35.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.066 |
65 |
|
[FE2]B:1602 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
8442 |
35.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.066 |
66 |
|
G |
6 |
2 |
8401 |
◊ |
[FE2]G:1602 |
-y+1,x-y,z |
2_655 |
1 |
1 |
137 |
34.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.066 |
67 |
|
A |
6 |
2 |
8348 |
◊ |
[FE2]G:1602 |
-y+1,x-y,z |
2_655 |
1 |
1 |
137 |
34.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.066 |
68 |
|
[FE2]B:1602 |
1 |
1 |
137 |
◊ |
E |
-y+1,x-y,z |
2_655 |
6 |
2 |
8543 |
34.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.066 |
69 |
|
[FE2]B:1602 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
8419 |
34.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.066 |
70 |
|
[FE2]G:1602 |
1 |
1 |
137 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
8357 |
34.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.066 |
Average: |
34.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.066 |
15 |
71 |
|
[MG]D:1701 |
1 |
1 |
98 |
x |
D |
x,y,z |
1_555 |
6 |
2 |
8442 |
34.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.082 |
72 |
|
[MG]C:1701 |
1 |
1 |
98 |
x |
F |
x,y,z |
1_555 |
4 |
2 |
8505 |
30.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.082 |
73 |
|
[MG]A:1702 |
1 |
1 |
98 |
x |
E |
-y+1,x-y,z |
2_655 |
6 |
2 |
8543 |
30.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.082 |
74 |
|
[MG]A:1702 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
6 |
2 |
8348 |
29.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.082 |
75 |
|
[MG]A:1702 |
1 |
1 |
98 |
x |
G |
-y+1,x-y,z |
2_655 |
5 |
2 |
8401 |
29.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.082 |
76 |
|
[MG]C:1701 |
1 |
1 |
98 |
x |
C |
x,y,z |
1_555 |
6 |
2 |
8396 |
29.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.082 |
77 |
|
[MG]C:1701 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
6 |
2 |
8419 |
28.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.082 |
Average: |
30.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.082 |
16 |
78 |
|
G |
7 |
2 |
8401 |
◊ |
D |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
4 |
2 |
8442 |
31.6 |
0.9 |
0.813 |
0 |
0 |
0 |
0.000 |
79 |
|
H |
3 |
2 |
8357 |
◊ |
C |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
2 |
2 |
8396 |
15.6 |
0.6 |
0.825 |
0 |
0 |
0 |
0.000 |
Average: |
23.6 |
0.7 |
0.819 |
0 |
0 |
0 |
0.000 |
17 |
80 |
|
[MG]B:1702 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
8396 |
28.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.070 |
81 |
|
[MG]A:1701 |
1 |
1 |
98 |
◊ |
G |
-y+1,x-y,z |
2_655 |
7 |
4 |
8401 |
28.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.070 |
82 |
|
[MG]H:1706 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
7 |
4 |
8357 |
28.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.070 |
83 |
|
[MG]G:1707 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
8543 |
27.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.070 |
84 |
|
A |
8 |
4 |
8348 |
◊ |
[MG]E:1705 |
-y+1,x-y,z |
2_655 |
1 |
1 |
98 |
27.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.070 |
85 |
|
[MG]D:1704 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
8442 |
27.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.070 |
86 |
|
[MG]C:1703 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
8505 |
27.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.070 |
87 |
|
[MG]F:1701 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
8419 |
26.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
27.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.070 |
18 |
88 |
|
[MG]A:1701 |
1 |
1 |
98 |
◊ |
H |
-y+1,x-y,z |
2_655 |
5 |
2 |
8357 |
25.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.050 |
89 |
|
[MG]B:1702 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
8442 |
24.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.050 |
90 |
|
[MG]F:1701 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8348 |
23.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.050 |
91 |
|
[MG]D:1704 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
8396 |
23.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.050 |
92 |
|
[MG]C:1703 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
8543 |
22.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.050 |
93 |
|
B |
5 |
2 |
8419 |
◊ |
[MG]E:1705 |
-y+1,x-y,z |
2_655 |
1 |
1 |
98 |
22.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.050 |
94 |
|
[MG]G:1707 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
8505 |
22.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.050 |
95 |
|
[MG]H:1706 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
4 |
1 |
8401 |
21.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
23.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.050 |
19 |
96 |
|
[FE2]B:1601 |
1 |
1 |
137 |
f |
[FE2]B:1600 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.050 |
20 |
97 |
|
[FE2]A:1601 |
1 |
1 |
137 |
f |
[FE2]A:1600 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.049 |
21 |
98 |
|
[FE2]F:1601 |
1 |
1 |
137 |
f |
[FE2]F:1600 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.047 |
22 |
99 |
|
[FE2]C:1601 |
1 |
1 |
137 |
f |
[FE2]C:1600 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.045 |
23 |
100 |
|
[FE2]G:1601 |
1 |
1 |
137 |
f |
[FE2]G:1600 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.045 |
24 |
101 |
|
[FE2]H:1601 |
1 |
1 |
137 |
f |
[FE2]H:1600 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.083 |
25 |
102 |
|
[FE2]E:1601 |
1 |
1 |
137 |
f |
[FE2]E:1600 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.044 |
26 |
103 |
|
[FE2]D:1601 |
1 |
1 |
137 |
f |
[FE2]D:1600 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.104 |
27 |
104 |
|
D |
5 |
2 |
8442 |
◊ |
E |
-y+1,x-y,z |
2_655 |
5 |
2 |
8543 |
19.1 |
0.5 |
0.766 |
0 |
0 |
0 |
0.000 |
105 |
|
F |
5 |
2 |
8505 |
◊ |
H |
-y+1,x-y,z |
2_655 |
5 |
2 |
8357 |
18.0 |
0.4 |
0.765 |
0 |
0 |
0 |
0.000 |
106 |
|
G |
5 |
2 |
8401 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8348 |
17.7 |
0.4 |
0.771 |
0 |
0 |
0 |
0.000 |
107 |
|
B |
5 |
2 |
8419 |
◊ |
C |
-y+1,x-y,z |
2_655 |
5 |
2 |
8396 |
15.2 |
0.4 |
0.752 |
0 |
0 |
0 |
0.000 |
Average: |
17.5 |
0.4 |
0.763 |
0 |
0 |
0 |
0.000 |
28 |
108 |
|
H |
2 |
1 |
8357 |
◊ |
E |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
1 |
1 |
8543 |
2.5 |
0.1 |
0.738 |
0 |
0 |
0 |
0.000 |
109 |
|
F |
1 |
1 |
8505 |
◊ |
D |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
1 |
1 |
8442 |
0.8 |
0.0 |
0.665 |
0 |
0 |
0 |
0.000 |
Average: |
1.6 |
0.0 |
0.701 |
0 |
0 |
0 |
0.000 |
|