## |
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 |
|
Q |
372 |
94 |
13500 |
◊ |
E |
x,y,z |
1_555 |
348 |
82 |
11503 |
3529.7 |
-27.3 |
0.324 |
56 |
21 |
0 |
0.797 |
2 |
|
O |
368 |
93 |
13515 |
◊ |
C |
x,y,z |
1_555 |
348 |
82 |
11502 |
3528.7 |
-32.0 |
0.250 |
53 |
19 |
0 |
0.797 |
3 |
|
N |
372 |
94 |
13521 |
◊ |
B |
x,y,z |
1_555 |
349 |
81 |
11504 |
3525.7 |
-28.8 |
0.260 |
55 |
20 |
0 |
0.797 |
4 |
|
P |
377 |
94 |
13498 |
◊ |
D |
x,y,z |
1_555 |
351 |
83 |
11483 |
3519.0 |
-28.5 |
0.291 |
54 |
21 |
0 |
0.797 |
5 |
|
M |
372 |
94 |
13527 |
◊ |
A |
x,y,z |
1_555 |
338 |
83 |
11481 |
3514.1 |
-30.1 |
0.260 |
55 |
21 |
0 |
0.797 |
6 |
|
R |
369 |
93 |
13506 |
◊ |
F |
x,y,z |
1_555 |
344 |
82 |
11452 |
3504.2 |
-28.6 |
0.319 |
56 |
21 |
0 |
0.797 |
Average: |
3520.2 |
-29.2 |
0.284 |
55 |
21 |
0 |
0.797 |
2 |
7 |
|
Q |
163 |
43 |
13500 |
◊ |
Q |
-x,y,-z |
2_555 |
161 |
42 |
13500 |
1625.0 |
-32.4 |
0.013 |
6 |
0 |
0 |
0.569 |
8 |
|
N |
168 |
42 |
13521 |
◊ |
N |
-x,y,-z |
2_555 |
169 |
42 |
13521 |
1620.5 |
-32.6 |
0.016 |
6 |
0 |
0 |
0.569 |
9 |
|
P |
165 |
43 |
13498 |
◊ |
M |
x,y,z |
1_555 |
163 |
42 |
13527 |
1606.9 |
-32.1 |
0.013 |
6 |
0 |
0 |
0.569 |
10 |
|
R |
163 |
41 |
13506 |
◊ |
O |
-x,y,-z |
2_555 |
159 |
42 |
13515 |
1599.6 |
-32.1 |
0.014 |
6 |
0 |
0 |
0.569 |
Average: |
1613.0 |
-32.3 |
0.014 |
6 |
0 |
0 |
0.569 |
3 |
11 |
|
R |
40 |
13 |
13506 |
◊ |
M |
-x,y,-z |
2_555 |
32 |
8 |
13527 |
352.1 |
-1.5 |
0.494 |
6 |
0 |
0 |
0.122 |
12 |
|
P |
35 |
9 |
13498 |
◊ |
O |
-x,y,-z |
2_555 |
40 |
13 |
13515 |
350.9 |
-1.8 |
0.512 |
7 |
0 |
0 |
0.122 |
13 |
|
P |
39 |
13 |
13498 |
◊ |
N |
x,y,z |
1_555 |
32 |
7 |
13521 |
350.5 |
-1.6 |
0.475 |
8 |
0 |
0 |
0.122 |
14 |
|
O |
32 |
9 |
13515 |
◊ |
N |
-x,y,-z |
2_555 |
42 |
13 |
13521 |
350.3 |
-1.9 |
0.479 |
7 |
0 |
0 |
0.122 |
15 |
|
Q |
31 |
7 |
13500 |
◊ |
M |
x,y,z |
1_555 |
40 |
13 |
13527 |
349.1 |
-1.7 |
0.464 |
8 |
0 |
0 |
0.122 |
16 |
|
R |
32 |
7 |
13506 |
◊ |
Q |
-x,y,-z |
2_555 |
42 |
13 |
13500 |
348.5 |
-2.1 |
0.452 |
7 |
0 |
0 |
0.122 |
Average: |
350.3 |
-1.8 |
0.479 |
7 |
0 |
0 |
0.122 |
4 |
17 |
|
R |
37 |
11 |
13506 |
◊ |
Q |
x,y,z |
1_555 |
32 |
10 |
13500 |
346.9 |
-1.6 |
0.670 |
6 |
1 |
0 |
0.106 |
18 |
|
O |
35 |
11 |
13515 |
◊ |
N |
x,y,z |
1_555 |
34 |
10 |
13521 |
339.7 |
-2.0 |
0.633 |
5 |
1 |
0 |
0.106 |
19 |
|
Q |
36 |
11 |
13500 |
◊ |
P |
x,y,z |
1_555 |
34 |
10 |
13498 |
338.3 |
-2.1 |
0.621 |
5 |
1 |
0 |
0.106 |
20 |
|
R |
33 |
10 |
13506 |
◊ |
P |
x,y,z |
1_555 |
33 |
11 |
13498 |
336.5 |
-2.1 |
0.599 |
5 |
1 |
0 |
0.106 |
21 |
|
O |
33 |
10 |
13515 |
◊ |
M |
x,y,z |
1_555 |
32 |
11 |
13527 |
336.4 |
-1.7 |
0.636 |
5 |
1 |
0 |
0.106 |
22 |
|
N |
32 |
10 |
13521 |
◊ |
M |
x,y,z |
1_555 |
33 |
10 |
13527 |
335.2 |
-2.0 |
0.606 |
4 |
1 |
0 |
0.106 |
Average: |
338.8 |
-1.9 |
0.627 |
5 |
1 |
0 |
0.106 |
5 |
23 |
|
D |
24 |
6 |
11483 |
◊ |
C |
x-1/2,y-1/2,z+1/2 |
3_445 |
35 |
11 |
11502 |
250.3 |
-1.4 |
0.551 |
2 |
1 |
0 |
0.000 |
6 |
24 |
|
O |
26 |
7 |
13515 |
◊ |
D |
-x,y,-z |
2_555 |
18 |
4 |
11483 |
211.8 |
-3.0 |
0.176 |
2 |
2 |
0 |
0.042 |
25 |
|
M |
25 |
7 |
13527 |
◊ |
E |
x,y,z |
1_555 |
18 |
4 |
11503 |
211.5 |
-3.0 |
0.154 |
2 |
2 |
0 |
0.042 |
26 |
|
N |
24 |
7 |
13521 |
◊ |
C |
-x,y,-z |
2_555 |
18 |
4 |
11502 |
210.4 |
-3.0 |
0.163 |
3 |
2 |
0 |
0.042 |
27 |
|
R |
24 |
7 |
13506 |
◊ |
A |
-x,y,-z |
2_555 |
18 |
4 |
11481 |
208.1 |
-2.8 |
0.180 |
3 |
2 |
0 |
0.042 |
28 |
|
P |
24 |
7 |
13498 |
◊ |
B |
x,y,z |
1_555 |
18 |
4 |
11504 |
208.0 |
-2.9 |
0.181 |
3 |
2 |
0 |
0.042 |
29 |
|
Q |
25 |
7 |
13500 |
◊ |
F |
-x,y,-z |
2_555 |
18 |
4 |
11452 |
207.4 |
-3.0 |
0.156 |
2 |
2 |
0 |
0.042 |
Average: |
209.5 |
-3.0 |
0.168 |
3 |
2 |
0 |
0.042 |
7 |
30 |
|
A |
23 |
8 |
11481 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
26 |
9 |
11504 |
177.3 |
-0.2 |
0.657 |
0 |
0 |
0 |
0.000 |
8 |
31 |
|
R |
15 |
8 |
13506 |
◊ |
D |
x,y,z |
1_555 |
18 |
6 |
11483 |
159.4 |
-1.9 |
0.383 |
0 |
0 |
0 |
0.020 |
32 |
|
N |
17 |
8 |
13521 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
11502 |
158.9 |
-2.1 |
0.354 |
0 |
0 |
0 |
0.020 |
33 |
|
O |
17 |
8 |
13515 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
11481 |
152.3 |
-2.0 |
0.364 |
0 |
0 |
0 |
0.020 |
34 |
|
P |
17 |
8 |
13498 |
◊ |
E |
x,y,z |
1_555 |
18 |
6 |
11503 |
151.5 |
-2.1 |
0.364 |
0 |
0 |
0 |
0.020 |
35 |
|
Q |
16 |
8 |
13500 |
◊ |
F |
x,y,z |
1_555 |
18 |
6 |
11452 |
150.6 |
-2.1 |
0.371 |
0 |
0 |
0 |
0.020 |
36 |
|
M |
17 |
8 |
13527 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
11504 |
148.2 |
-2.0 |
0.362 |
0 |
0 |
0 |
0.020 |
Average: |
153.5 |
-2.0 |
0.366 |
0 |
0 |
0 |
0.020 |
9 |
37 |
|
C |
16 |
4 |
11502 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
11504 |
149.7 |
1.8 |
0.830 |
2 |
3 |
0 |
0.000 |
38 |
|
B |
15 |
4 |
11504 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
11481 |
145.2 |
1.4 |
0.781 |
2 |
3 |
0 |
0.000 |
39 |
|
F |
13 |
6 |
11452 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
11483 |
143.5 |
1.3 |
0.788 |
2 |
3 |
0 |
0.000 |
40 |
|
F |
15 |
4 |
11452 |
◊ |
E |
x,y,z |
1_555 |
16 |
6 |
11503 |
142.9 |
1.6 |
0.794 |
1 |
2 |
0 |
0.000 |
41 |
|
C |
15 |
6 |
11502 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
11481 |
142.2 |
1.2 |
0.781 |
1 |
2 |
0 |
0.000 |
42 |
|
E |
14 |
4 |
11503 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
11483 |
140.4 |
1.2 |
0.781 |
1 |
2 |
0 |
0.000 |
Average: |
144.0 |
1.4 |
0.792 |
2 |
3 |
0 |
0.000 |
10 |
43 |
|
[IHB]R:550 |
11 |
1 |
320 |
f |
R |
x,y,z |
1_555 |
21 |
9 |
13506 |
138.1 |
1.9 |
0.250 |
2 |
0 |
0 |
0.000 |
44 |
|
[IHB]O:550 |
11 |
1 |
320 |
f |
O |
x,y,z |
1_555 |
21 |
9 |
13515 |
137.8 |
2.5 |
0.248 |
2 |
0 |
0 |
0.000 |
45 |
|
[IHB]M:550 |
11 |
1 |
318 |
f |
M |
x,y,z |
1_555 |
20 |
9 |
13527 |
137.2 |
2.4 |
0.254 |
2 |
0 |
0 |
0.000 |
46 |
|
[IHB]Q:550 |
11 |
1 |
318 |
f |
Q |
x,y,z |
1_555 |
21 |
9 |
13500 |
137.2 |
2.4 |
0.268 |
3 |
0 |
0 |
0.000 |
47 |
|
[IHB]N:550 |
11 |
1 |
317 |
f |
N |
x,y,z |
1_555 |
21 |
9 |
13521 |
136.6 |
2.4 |
0.236 |
2 |
0 |
0 |
0.000 |
48 |
|
[IHB]P:550 |
11 |
1 |
319 |
f |
P |
x,y,z |
1_555 |
22 |
9 |
13498 |
135.1 |
2.3 |
0.254 |
2 |
0 |
0 |
0.000 |
Average: |
137.0 |
2.3 |
0.252 |
2 |
0 |
0 |
0.000 |
11 |
49 |
|
[IHB]O:551 |
11 |
1 |
319 |
◊ |
O |
x,y,z |
1_555 |
18 |
6 |
13515 |
122.9 |
1.0 |
0.160 |
1 |
0 |
0 |
0.000 |
50 |
|
[IHB]Q:551 |
11 |
1 |
320 |
◊ |
Q |
x,y,z |
1_555 |
20 |
6 |
13500 |
121.8 |
1.0 |
0.165 |
1 |
0 |
0 |
0.000 |
51 |
|
[IHB]M:551 |
11 |
1 |
318 |
◊ |
M |
x,y,z |
1_555 |
19 |
6 |
13527 |
121.4 |
1.9 |
0.228 |
1 |
0 |
0 |
0.000 |
52 |
|
[IHB]N:551 |
11 |
1 |
322 |
◊ |
N |
x,y,z |
1_555 |
21 |
6 |
13521 |
120.3 |
0.8 |
0.179 |
1 |
0 |
0 |
0.000 |
53 |
|
[IHB]P:551 |
11 |
1 |
320 |
◊ |
P |
x,y,z |
1_555 |
20 |
6 |
13498 |
119.2 |
1.9 |
0.219 |
1 |
0 |
0 |
0.000 |
54 |
|
[IHB]R:551 |
11 |
1 |
321 |
◊ |
R |
x,y,z |
1_555 |
19 |
6 |
13506 |
117.5 |
1.0 |
0.190 |
1 |
0 |
0 |
0.000 |
Average: |
120.5 |
1.3 |
0.190 |
1 |
0 |
0 |
0.000 |
12 |
55 |
|
[IHB]O:551 |
11 |
1 |
319 |
◊ |
N |
x,y,z |
1_555 |
10 |
4 |
13521 |
112.6 |
0.8 |
0.118 |
0 |
0 |
0 |
0.000 |
56 |
|
[IHB]R:551 |
11 |
1 |
321 |
◊ |
Q |
x,y,z |
1_555 |
10 |
4 |
13500 |
112.4 |
0.8 |
0.136 |
0 |
0 |
0 |
0.000 |
57 |
|
[IHB]M:551 |
11 |
1 |
318 |
◊ |
O |
x,y,z |
1_555 |
10 |
4 |
13515 |
112.1 |
0.8 |
0.136 |
0 |
0 |
0 |
0.000 |
58 |
|
[IHB]N:551 |
11 |
1 |
322 |
◊ |
M |
x,y,z |
1_555 |
10 |
4 |
13527 |
112.1 |
0.8 |
0.135 |
0 |
0 |
0 |
0.000 |
59 |
|
[IHB]Q:551 |
11 |
1 |
320 |
◊ |
P |
x,y,z |
1_555 |
10 |
4 |
13498 |
111.5 |
1.9 |
0.183 |
0 |
0 |
0 |
0.000 |
60 |
|
[IHB]P:551 |
11 |
1 |
320 |
◊ |
R |
x,y,z |
1_555 |
10 |
4 |
13506 |
110.6 |
0.8 |
0.142 |
0 |
0 |
0 |
0.000 |
Average: |
111.9 |
1.0 |
0.142 |
0 |
0 |
0 |
0.000 |
13 |
61 |
|
[IHB]P:550 |
11 |
1 |
319 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
11483 |
106.9 |
0.9 |
0.164 |
0 |
0 |
0 |
0.000 |
62 |
|
[IHB]O:550 |
11 |
1 |
320 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
11502 |
104.4 |
0.8 |
0.137 |
0 |
0 |
0 |
0.000 |
63 |
|
[IHB]M:550 |
11 |
1 |
318 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
11481 |
103.0 |
0.8 |
0.147 |
0 |
0 |
0 |
0.000 |
64 |
|
[IHB]N:550 |
11 |
1 |
317 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
11504 |
102.4 |
0.8 |
0.131 |
0 |
0 |
0 |
0.000 |
65 |
|
[IHB]R:550 |
11 |
1 |
320 |
◊ |
F |
x,y,z |
1_555 |
14 |
6 |
11452 |
102.2 |
0.8 |
0.146 |
0 |
0 |
0 |
0.000 |
66 |
|
[IHB]Q:550 |
11 |
1 |
318 |
◊ |
E |
x,y,z |
1_555 |
13 |
6 |
11503 |
102.1 |
0.8 |
0.144 |
0 |
0 |
0 |
0.000 |
Average: |
103.5 |
0.8 |
0.145 |
0 |
0 |
0 |
0.000 |
14 |
67 |
|
[BME]M:601 |
4 |
1 |
203 |
f |
M |
x,y,z |
1_555 |
17 |
6 |
13527 |
102.7 |
-0.5 |
0.442 |
5 |
0 |
0 |
0.064 |
68 |
|
[BME]Q:601 |
4 |
1 |
203 |
f |
Q |
x,y,z |
1_555 |
16 |
6 |
13500 |
101.0 |
-0.2 |
0.549 |
4 |
0 |
0 |
0.064 |
Average: |
101.9 |
-0.3 |
0.496 |
5 |
0 |
0 |
0.064 |
15 |
69 |
|
[BME]P:601 |
4 |
1 |
203 |
f |
P |
x,y,z |
1_555 |
18 |
6 |
13498 |
102.2 |
-0.6 |
0.462 |
4 |
0 |
0 |
0.112 |
70 |
|
[BME]O:601 |
4 |
1 |
205 |
f |
O |
x,y,z |
1_555 |
17 |
6 |
13515 |
101.3 |
-0.9 |
0.448 |
5 |
0 |
0 |
0.112 |
71 |
|
[BME]N:601 |
4 |
1 |
204 |
f |
N |
x,y,z |
1_555 |
19 |
6 |
13521 |
100.8 |
-1.0 |
0.453 |
6 |
0 |
0 |
0.112 |
72 |
|
[BME]R:601 |
4 |
1 |
204 |
f |
R |
x,y,z |
1_555 |
18 |
6 |
13506 |
100.6 |
-0.9 |
0.451 |
5 |
0 |
0 |
0.112 |
Average: |
101.2 |
-0.8 |
0.453 |
5 |
0 |
0 |
0.112 |
16 |
73 |
|
E |
15 |
5 |
11503 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
5 |
2 |
11481 |
55.1 |
0.8 |
0.803 |
1 |
0 |
0 |
0.000 |
17 |
74 |
|
Q |
8 |
2 |
13500 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
6 |
2 |
11481 |
52.0 |
-0.2 |
0.611 |
0 |
0 |
0 |
0.000 |
18 |
75 |
|
[FE]M:600 |
1 |
1 |
137 |
cf |
M |
x,y,z |
1_555 |
6 |
4 |
13527 |
50.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.281 |
76 |
|
[FE]O:600 |
1 |
1 |
137 |
cf |
O |
x,y,z |
1_555 |
6 |
4 |
13515 |
50.4 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.281 |
77 |
|
[FE]R:600 |
1 |
1 |
137 |
f |
R |
x,y,z |
1_555 |
6 |
4 |
13506 |
49.6 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.281 |
78 |
|
[FE]P:600 |
1 |
1 |
137 |
cf |
P |
x,y,z |
1_555 |
6 |
4 |
13498 |
49.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.281 |
79 |
|
[FE]Q:600 |
1 |
1 |
137 |
cf |
Q |
x,y,z |
1_555 |
6 |
4 |
13500 |
49.2 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.281 |
80 |
|
[FE]N:600 |
1 |
1 |
137 |
cf |
N |
x,y,z |
1_555 |
6 |
4 |
13521 |
48.9 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.281 |
Average: |
49.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.281 |
19 |
81 |
|
R |
3 |
1 |
13506 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
11503 |
40.4 |
1.0 |
0.900 |
2 |
0 |
0 |
0.000 |
82 |
|
M |
3 |
1 |
13527 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11502 |
39.9 |
1.0 |
0.900 |
2 |
0 |
0 |
0.000 |
83 |
|
O |
3 |
1 |
13515 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11504 |
39.7 |
0.9 |
0.886 |
2 |
0 |
0 |
0.000 |
84 |
|
Q |
3 |
1 |
13500 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11483 |
39.3 |
0.9 |
0.896 |
2 |
0 |
0 |
0.000 |
85 |
|
N |
3 |
1 |
13521 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11481 |
39.2 |
0.9 |
0.889 |
2 |
0 |
0 |
0.000 |
86 |
|
P |
3 |
1 |
13498 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
11452 |
38.6 |
0.9 |
0.886 |
2 |
0 |
0 |
0.000 |
Average: |
39.5 |
0.9 |
0.893 |
2 |
0 |
0 |
0.000 |
20 |
87 |
|
E |
2 |
1 |
11503 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
11504 |
37.6 |
-1.2 |
0.079 |
0 |
0 |
0 |
0.000 |
21 |
88 |
|
[IHB]R:550 |
4 |
1 |
320 |
cf |
[FE]R:600 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.125 |
89 |
|
[IHB]N:550 |
4 |
1 |
317 |
cf |
[FE]N:600 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.125 |
90 |
|
[IHB]M:550 |
4 |
1 |
318 |
cf |
[FE]M:600 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.125 |
91 |
|
[IHB]P:550 |
4 |
1 |
319 |
cf |
[FE]P:600 |
x,y,z |
1_555 |
1 |
1 |
137 |
36.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.125 |
92 |
|
[IHB]Q:550 |
4 |
1 |
318 |
cf |
[FE]Q:600 |
x,y,z |
1_555 |
1 |
1 |
137 |
36.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.125 |
93 |
|
[IHB]O:550 |
4 |
1 |
320 |
cf |
[FE]O:600 |
x,y,z |
1_555 |
1 |
1 |
137 |
36.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.125 |
Average: |
37.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.125 |
22 |
94 |
|
[IHB]O:551 |
1 |
1 |
319 |
f |
[IHB]N:551 |
x,y,z |
1_555 |
2 |
1 |
322 |
26.1 |
0.1 |
0.119 |
0 |
0 |
0 |
0.000 |
95 |
|
[IHB]Q:551 |
1 |
1 |
320 |
f |
[IHB]P:551 |
x,y,z |
1_555 |
2 |
1 |
320 |
26.0 |
0.2 |
0.119 |
0 |
0 |
0 |
0.000 |
96 |
|
[IHB]R:551 |
1 |
1 |
321 |
f |
[IHB]Q:551 |
x,y,z |
1_555 |
2 |
1 |
320 |
25.9 |
0.2 |
0.113 |
0 |
0 |
0 |
0.000 |
97 |
|
[IHB]R:551 |
2 |
1 |
321 |
f |
[IHB]P:551 |
x,y,z |
1_555 |
1 |
1 |
320 |
25.8 |
0.1 |
0.119 |
0 |
0 |
0 |
0.000 |
98 |
|
[IHB]N:551 |
1 |
1 |
322 |
f |
[IHB]M:551 |
x,y,z |
1_555 |
2 |
1 |
318 |
25.8 |
0.1 |
0.119 |
0 |
0 |
0 |
0.000 |
99 |
|
[IHB]O:551 |
2 |
1 |
319 |
f |
[IHB]M:551 |
x,y,z |
1_555 |
1 |
1 |
318 |
25.6 |
0.1 |
0.113 |
0 |
0 |
0 |
0.000 |
Average: |
25.9 |
0.1 |
0.117 |
0 |
0 |
0 |
0.000 |
23 |
100 |
|
P |
3 |
2 |
13498 |
◊ |
D |
-x,y,-z+1 |
2_556 |
4 |
2 |
11483 |
25.7 |
-0.8 |
0.292 |
0 |
0 |
0 |
0.000 |
24 |
101 |
|
[FE]Q:600 |
1 |
1 |
137 |
◊ |
E |
x,y,z |
1_555 |
6 |
4 |
11503 |
17.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.028 |
102 |
|
[FE]N:600 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
11504 |
17.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.028 |
103 |
|
[FE]R:600 |
1 |
1 |
137 |
◊ |
F |
x,y,z |
1_555 |
5 |
4 |
11452 |
16.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.028 |
104 |
|
[FE]P:600 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
11483 |
15.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.028 |
105 |
|
[FE]M:600 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
11481 |
14.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.028 |
106 |
|
[FE]O:600 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
5 |
4 |
11502 |
14.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
16.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.028 |
25 |
107 |
|
[BME]Q:601 |
2 |
1 |
203 |
◊ |
R |
-x,y,-z |
2_555 |
3 |
1 |
13506 |
14.8 |
0.2 |
0.419 |
0 |
0 |
0 |
0.000 |
108 |
|
[BME]M:601 |
2 |
1 |
203 |
◊ |
Q |
x,y,z |
1_555 |
1 |
1 |
13500 |
12.6 |
0.2 |
0.299 |
0 |
0 |
0 |
0.000 |
Average: |
13.7 |
0.2 |
0.359 |
0 |
0 |
0 |
0.000 |
26 |
109 |
|
[BME]P:601 |
2 |
1 |
203 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
13521 |
11.6 |
0.2 |
0.304 |
0 |
0 |
0 |
0.000 |
27 |
110 |
|
[BME]O:601 |
2 |
1 |
205 |
◊ |
P |
-x,y,-z |
2_555 |
1 |
1 |
13498 |
11.2 |
0.2 |
0.314 |
0 |
0 |
0 |
0.000 |
111 |
|
[BME]R:601 |
2 |
1 |
204 |
◊ |
M |
-x,y,-z |
2_555 |
1 |
1 |
13527 |
10.3 |
0.2 |
0.319 |
0 |
0 |
0 |
0.000 |
112 |
|
[BME]N:601 |
2 |
1 |
204 |
◊ |
O |
-x,y,-z |
2_555 |
1 |
1 |
13515 |
8.9 |
0.1 |
0.337 |
0 |
0 |
0 |
0.000 |
Average: |
10.1 |
0.2 |
0.323 |
0 |
0 |
0 |
0.000 |
28 |
113 |
|
M |
2 |
2 |
13527 |
◊ |
D |
-x,y,-z+1 |
2_556 |
2 |
2 |
11483 |
7.2 |
-0.1 |
0.490 |
0 |
0 |
0 |
0.000 |
29 |
114 |
|
D |
3 |
3 |
11483 |
◊ |
D |
-x,y,-z+1 |
2_556 |
3 |
3 |
11483 |
4.5 |
0.1 |
0.654 |
0 |
0 |
0 |
0.000 |
30 |
115 |
|
A |
1 |
1 |
11481 |
◊ |
C |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
2 |
1 |
11502 |
1.9 |
0.1 |
0.688 |
0 |
0 |
0 |
0.000 |
|