## |
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 |
|
P |
150 |
37 |
11948 |
◊ |
O |
x,y,z |
1_555 |
146 |
36 |
11948 |
1390.0 |
-13.1 |
0.287 |
18 |
7 |
0 |
0.312 |
2 |
|
K |
147 |
37 |
11936 |
◊ |
J |
x,y,z |
1_555 |
146 |
36 |
11941 |
1387.7 |
-13.3 |
0.280 |
18 |
8 |
0 |
0.312 |
3 |
|
H |
149 |
37 |
11955 |
◊ |
G |
x,y,z |
1_555 |
144 |
35 |
11957 |
1383.4 |
-13.6 |
0.257 |
18 |
7 |
0 |
0.312 |
4 |
|
S |
151 |
37 |
11955 |
◊ |
R |
x,y,z |
1_555 |
149 |
36 |
11958 |
1381.4 |
-13.3 |
0.283 |
19 |
7 |
0 |
0.312 |
5 |
|
D |
147 |
36 |
11966 |
◊ |
A |
x,y,z |
1_555 |
152 |
37 |
11950 |
1379.7 |
-13.3 |
0.288 |
17 |
6 |
0 |
0.312 |
6 |
|
N |
151 |
37 |
11944 |
◊ |
M |
x,y,z |
1_555 |
148 |
35 |
11954 |
1379.5 |
-13.2 |
0.292 |
19 |
6 |
0 |
0.312 |
7 |
|
L |
148 |
36 |
11952 |
◊ |
I |
x,y,z |
1_555 |
150 |
37 |
11951 |
1379.4 |
-13.3 |
0.285 |
17 |
7 |
0 |
0.312 |
8 |
|
C |
150 |
37 |
11960 |
◊ |
B |
x,y,z |
1_555 |
147 |
36 |
11964 |
1379.3 |
-13.3 |
0.279 |
17 |
7 |
0 |
0.312 |
9 |
|
L |
149 |
37 |
11952 |
◊ |
K |
x,y,z |
1_555 |
146 |
35 |
11936 |
1378.8 |
-13.0 |
0.301 |
18 |
6 |
0 |
0.312 |
10 |
|
B |
151 |
37 |
11964 |
◊ |
A |
x,y,z |
1_555 |
145 |
35 |
11950 |
1378.3 |
-13.4 |
0.272 |
17 |
7 |
0 |
0.312 |
11 |
|
P |
145 |
36 |
11948 |
◊ |
M |
x,y,z |
1_555 |
150 |
37 |
11954 |
1378.1 |
-13.2 |
0.285 |
18 |
7 |
0 |
0.312 |
12 |
|
H |
146 |
36 |
11955 |
◊ |
E |
x,y,z |
1_555 |
151 |
37 |
11969 |
1375.7 |
-13.0 |
0.286 |
17 |
6 |
0 |
0.312 |
13 |
|
O |
148 |
37 |
11948 |
◊ |
N |
x,y,z |
1_555 |
146 |
35 |
11944 |
1375.5 |
-13.4 |
0.276 |
17 |
7 |
0 |
0.312 |
14 |
|
G |
147 |
37 |
11957 |
◊ |
F |
x,y,z |
1_555 |
143 |
35 |
11971 |
1375.2 |
-12.9 |
0.283 |
18 |
7 |
0 |
0.312 |
15 |
|
T |
152 |
37 |
11949 |
◊ |
S |
x,y,z |
1_555 |
146 |
37 |
11955 |
1375.1 |
-13.2 |
0.283 |
17 |
7 |
0 |
0.312 |
16 |
|
R |
151 |
37 |
11958 |
◊ |
Q |
x,y,z |
1_555 |
147 |
36 |
11957 |
1372.9 |
-13.0 |
0.288 |
19 |
6 |
0 |
0.312 |
17 |
|
F |
148 |
37 |
11971 |
◊ |
E |
x,y,z |
1_555 |
145 |
35 |
11969 |
1371.7 |
-13.2 |
0.275 |
19 |
6 |
0 |
0.312 |
18 |
|
D |
149 |
37 |
11966 |
◊ |
C |
x,y,z |
1_555 |
147 |
36 |
11960 |
1369.7 |
-13.2 |
0.290 |
18 |
6 |
0 |
0.312 |
19 |
|
J |
147 |
37 |
11941 |
◊ |
I |
x,y,z |
1_555 |
147 |
36 |
11951 |
1369.5 |
-12.9 |
0.298 |
19 |
7 |
0 |
0.312 |
20 |
|
T |
144 |
35 |
11949 |
◊ |
Q |
x,y,z |
1_555 |
149 |
37 |
11957 |
1367.5 |
-12.9 |
0.284 |
17 |
8 |
0 |
0.312 |
Average: |
1377.4 |
-13.2 |
0.284 |
18 |
7 |
0 |
0.312 |
2 |
21 |
|
T |
77 |
26 |
11949 |
◊ |
H |
x-y,-y+1,-z+1/3 |
5_565 |
71 |
23 |
11955 |
632.3 |
-5.9 |
0.422 |
4 |
0 |
0 |
0.000 |
3 |
22 |
|
Q |
42 |
11 |
11957 |
◊ |
H |
x-y,-y+1,-z+1/3 |
5_565 |
48 |
15 |
11955 |
462.8 |
-0.8 |
0.701 |
1 |
0 |
0 |
0.000 |
4 |
23 |
|
L |
49 |
16 |
11952 |
◊ |
L |
x-y,-y,-z+1/3 |
5_555 |
49 |
16 |
11952 |
438.0 |
-4.6 |
0.387 |
0 |
0 |
0 |
0.000 |
5 |
24 |
|
S |
49 |
16 |
11955 |
◊ |
K |
x-1,y,z |
1_455 |
40 |
11 |
11936 |
420.9 |
-3.1 |
0.375 |
4 |
2 |
0 |
0.000 |
6 |
25 |
|
Q |
45 |
15 |
11957 |
◊ |
D |
x,y,z |
1_555 |
45 |
15 |
11966 |
413.4 |
-4.6 |
0.356 |
2 |
2 |
0 |
0.016 |
26 |
|
I |
44 |
13 |
11951 |
◊ |
B |
x,y,z |
1_555 |
47 |
14 |
11964 |
403.7 |
-4.7 |
0.345 |
3 |
2 |
0 |
0.016 |
27 |
|
M |
43 |
13 |
11954 |
◊ |
C |
x,y,z |
1_555 |
43 |
13 |
11960 |
398.3 |
-4.7 |
0.325 |
3 |
2 |
0 |
0.016 |
28 |
|
E |
42 |
13 |
11969 |
◊ |
A |
x,y,z |
1_555 |
45 |
13 |
11950 |
396.8 |
-4.8 |
0.321 |
2 |
2 |
0 |
0.016 |
Average: |
403.1 |
-4.7 |
0.337 |
3 |
2 |
0 |
0.016 |
7 |
29 |
|
D |
48 |
14 |
11966 |
◊ |
B |
-x,-x+y,-z+2/3 |
6_555 |
48 |
14 |
11964 |
397.4 |
-6.3 |
0.232 |
2 |
0 |
0 |
0.048 |
30 |
|
R |
46 |
14 |
11958 |
◊ |
E |
-x,-x+y,-z+2/3 |
6_555 |
48 |
14 |
11969 |
391.7 |
-6.3 |
0.224 |
2 |
0 |
0 |
0.048 |
31 |
|
Q |
44 |
12 |
11957 |
◊ |
F |
-x,-x+y,-z+2/3 |
6_555 |
45 |
14 |
11971 |
391.7 |
-6.2 |
0.211 |
2 |
0 |
0 |
0.048 |
32 |
|
S |
46 |
14 |
11955 |
◊ |
H |
-x,-x+y,-z+2/3 |
6_555 |
46 |
14 |
11955 |
390.2 |
-6.1 |
0.227 |
2 |
0 |
0 |
0.048 |
33 |
|
C |
45 |
13 |
11960 |
◊ |
C |
-x,-x+y,-z+2/3 |
6_555 |
45 |
13 |
11960 |
389.7 |
-6.4 |
0.203 |
2 |
0 |
0 |
0.048 |
34 |
|
N |
45 |
13 |
11944 |
◊ |
I |
-x,-x+y,-z+2/3 |
6_555 |
44 |
12 |
11951 |
389.0 |
-6.3 |
0.207 |
2 |
0 |
0 |
0.048 |
35 |
|
O |
48 |
14 |
11948 |
◊ |
L |
-x,-x+y,-z+2/3 |
6_555 |
46 |
14 |
11952 |
388.3 |
-6.1 |
0.235 |
2 |
0 |
0 |
0.048 |
36 |
|
A |
45 |
13 |
11950 |
◊ |
A |
-x,-x+y,-z+2/3 |
6_555 |
46 |
13 |
11950 |
387.7 |
-6.4 |
0.206 |
2 |
0 |
0 |
0.048 |
37 |
|
M |
46 |
13 |
11954 |
◊ |
J |
-x,-x+y,-z+2/3 |
6_555 |
46 |
13 |
11941 |
386.5 |
-6.3 |
0.216 |
2 |
0 |
0 |
0.048 |
38 |
|
P |
44 |
12 |
11948 |
◊ |
K |
-x,-x+y,-z+2/3 |
6_555 |
45 |
13 |
11936 |
383.9 |
-6.1 |
0.224 |
2 |
0 |
0 |
0.048 |
39 |
|
T |
46 |
13 |
11949 |
◊ |
G |
-x,-x+y,-z+2/3 |
6_555 |
44 |
13 |
11957 |
383.2 |
-6.3 |
0.208 |
2 |
0 |
0 |
0.048 |
Average: |
389.0 |
-6.2 |
0.217 |
2 |
0 |
0 |
0.048 |
8 |
40 |
|
N |
45 |
15 |
11944 |
◊ |
L |
-x,-x+y,-z+2/3 |
6_555 |
44 |
15 |
11952 |
380.8 |
1.3 |
0.847 |
2 |
0 |
0 |
0.000 |
41 |
|
P |
45 |
15 |
11948 |
◊ |
J |
-x,-x+y,-z+2/3 |
6_555 |
46 |
15 |
11941 |
379.5 |
1.4 |
0.853 |
2 |
0 |
0 |
0.000 |
42 |
|
R |
45 |
15 |
11958 |
◊ |
H |
-x,-x+y,-z+2/3 |
6_555 |
46 |
16 |
11955 |
378.5 |
1.4 |
0.850 |
2 |
0 |
0 |
0.000 |
43 |
|
O |
45 |
15 |
11948 |
◊ |
K |
-x,-x+y,-z+2/3 |
6_555 |
45 |
15 |
11936 |
377.6 |
1.4 |
0.851 |
2 |
0 |
0 |
0.000 |
44 |
|
S |
46 |
15 |
11955 |
◊ |
G |
-x,-x+y,-z+2/3 |
6_555 |
45 |
15 |
11957 |
367.8 |
1.4 |
0.852 |
2 |
0 |
0 |
0.000 |
45 |
|
T |
44 |
15 |
11949 |
◊ |
F |
-x,-x+y,-z+2/3 |
6_555 |
44 |
14 |
11971 |
346.6 |
1.3 |
0.846 |
2 |
0 |
0 |
0.000 |
46 |
|
D |
44 |
14 |
11966 |
◊ |
A |
-x,-x+y,-z+2/3 |
6_555 |
44 |
15 |
11950 |
343.6 |
1.1 |
0.837 |
2 |
0 |
0 |
0.000 |
47 |
|
M |
41 |
12 |
11954 |
◊ |
I |
-x,-x+y,-z+2/3 |
6_555 |
43 |
13 |
11951 |
339.0 |
1.2 |
0.841 |
2 |
0 |
0 |
0.000 |
48 |
|
Q |
40 |
12 |
11957 |
◊ |
E |
-x,-x+y,-z+2/3 |
6_555 |
41 |
12 |
11969 |
336.7 |
1.1 |
0.833 |
2 |
0 |
0 |
0.000 |
49 |
|
C |
42 |
12 |
11960 |
◊ |
B |
-x,-x+y,-z+2/3 |
6_555 |
42 |
12 |
11964 |
335.1 |
1.1 |
0.832 |
2 |
0 |
0 |
0.000 |
Average: |
358.5 |
1.3 |
0.844 |
2 |
0 |
0 |
0.000 |
9 |
50 |
|
T |
30 |
10 |
11949 |
◊ |
E |
x-y,-y+1,-z+1/3 |
5_565 |
15 |
7 |
11969 |
203.3 |
1.4 |
0.822 |
0 |
1 |
0 |
0.000 |
10 |
51 |
|
[PGH]M:300 |
10 |
1 |
320 |
f |
M |
x,y,z |
1_555 |
27 |
16 |
11954 |
196.9 |
-5.5 |
0.576 |
10 |
0 |
0 |
0.140 |
52 |
|
[PGH]P:300 |
10 |
1 |
317 |
f |
P |
x,y,z |
1_555 |
27 |
15 |
11948 |
196.5 |
-5.6 |
0.574 |
10 |
0 |
0 |
0.140 |
53 |
|
[PGH]D:300 |
10 |
1 |
318 |
f |
D |
x,y,z |
1_555 |
27 |
15 |
11966 |
196.5 |
-5.5 |
0.556 |
10 |
0 |
0 |
0.140 |
54 |
|
[PGH]C:300 |
10 |
1 |
317 |
f |
C |
x,y,z |
1_555 |
27 |
15 |
11960 |
196.4 |
-5.5 |
0.554 |
10 |
0 |
0 |
0.140 |
55 |
|
[PGH]Q:300 |
10 |
1 |
318 |
f |
Q |
x,y,z |
1_555 |
27 |
15 |
11957 |
196.1 |
-5.4 |
0.551 |
10 |
0 |
0 |
0.140 |
56 |
|
[PGH]R:300 |
10 |
1 |
317 |
f |
R |
x,y,z |
1_555 |
28 |
16 |
11958 |
195.8 |
-5.6 |
0.574 |
10 |
0 |
0 |
0.140 |
57 |
|
[PGH]F:300 |
10 |
1 |
318 |
f |
F |
x,y,z |
1_555 |
27 |
15 |
11971 |
195.6 |
-5.5 |
0.553 |
10 |
0 |
0 |
0.140 |
58 |
|
[PGH]L:300 |
10 |
1 |
319 |
f |
L |
x,y,z |
1_555 |
27 |
15 |
11952 |
195.5 |
-5.6 |
0.572 |
10 |
0 |
0 |
0.140 |
59 |
|
[PGH]E:300 |
10 |
1 |
317 |
f |
E |
x,y,z |
1_555 |
30 |
16 |
11969 |
195.5 |
-5.4 |
0.599 |
10 |
0 |
0 |
0.140 |
60 |
|
[PGH]S:300 |
10 |
1 |
317 |
f |
S |
x,y,z |
1_555 |
27 |
15 |
11955 |
195.5 |
-5.5 |
0.553 |
10 |
0 |
0 |
0.140 |
61 |
|
[PGH]I:300 |
10 |
1 |
317 |
f |
I |
x,y,z |
1_555 |
29 |
15 |
11951 |
195.4 |
-5.5 |
0.599 |
10 |
0 |
0 |
0.140 |
62 |
|
[PGH]O:300 |
10 |
1 |
320 |
f |
O |
x,y,z |
1_555 |
27 |
15 |
11948 |
195.1 |
-5.5 |
0.572 |
10 |
0 |
0 |
0.140 |
63 |
|
[PGH]A:300 |
10 |
1 |
315 |
f |
A |
x,y,z |
1_555 |
28 |
15 |
11950 |
194.8 |
-5.5 |
0.579 |
10 |
0 |
0 |
0.140 |
64 |
|
[PGH]B:300 |
10 |
1 |
318 |
f |
B |
x,y,z |
1_555 |
27 |
15 |
11964 |
194.8 |
-5.5 |
0.593 |
10 |
0 |
0 |
0.140 |
65 |
|
[PGH]G:300 |
10 |
1 |
317 |
f |
G |
x,y,z |
1_555 |
28 |
15 |
11957 |
194.7 |
-5.4 |
0.555 |
10 |
0 |
0 |
0.140 |
66 |
|
[PGH]H:300 |
10 |
1 |
317 |
f |
H |
x,y,z |
1_555 |
26 |
15 |
11955 |
194.6 |
-5.4 |
0.554 |
10 |
0 |
0 |
0.140 |
67 |
|
[PGH]N:300 |
10 |
1 |
317 |
f |
N |
x,y,z |
1_555 |
28 |
15 |
11944 |
194.4 |
-5.5 |
0.575 |
10 |
0 |
0 |
0.140 |
68 |
|
[PGH]J:300 |
10 |
1 |
317 |
f |
J |
x,y,z |
1_555 |
27 |
15 |
11941 |
193.8 |
-5.4 |
0.575 |
10 |
0 |
0 |
0.140 |
69 |
|
[PGH]T:300 |
10 |
1 |
315 |
f |
T |
x,y,z |
1_555 |
26 |
15 |
11949 |
193.3 |
-5.4 |
0.571 |
10 |
0 |
0 |
0.140 |
70 |
|
[PGH]K:300 |
10 |
1 |
317 |
f |
K |
x,y,z |
1_555 |
28 |
15 |
11936 |
193.2 |
-5.5 |
0.548 |
10 |
0 |
0 |
0.140 |
Average: |
195.2 |
-5.5 |
0.569 |
10 |
0 |
0 |
0.140 |
11 |
71 |
|
N |
20 |
4 |
11944 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
11960 |
172.3 |
-0.5 |
0.532 |
0 |
0 |
0 |
0.003 |
72 |
|
R |
21 |
4 |
11958 |
◊ |
D |
x,y,z |
1_555 |
18 |
6 |
11966 |
170.0 |
-0.8 |
0.508 |
0 |
0 |
0 |
0.003 |
73 |
|
I |
18 |
6 |
11951 |
◊ |
C |
x,y,z |
1_555 |
20 |
4 |
11960 |
169.7 |
-0.6 |
0.515 |
0 |
0 |
0 |
0.003 |
74 |
|
J |
20 |
4 |
11941 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
11964 |
168.4 |
-0.6 |
0.513 |
0 |
0 |
0 |
0.003 |
75 |
|
M |
17 |
6 |
11954 |
◊ |
D |
x,y,z |
1_555 |
20 |
4 |
11966 |
165.2 |
-0.7 |
0.511 |
0 |
0 |
0 |
0.003 |
76 |
|
F |
20 |
4 |
11971 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
11950 |
161.6 |
-0.7 |
0.506 |
0 |
0 |
0 |
0.003 |
77 |
|
Q |
17 |
6 |
11957 |
◊ |
A |
x,y,z |
1_555 |
20 |
4 |
11950 |
161.5 |
-0.6 |
0.521 |
0 |
0 |
0 |
0.003 |
78 |
|
E |
16 |
5 |
11969 |
◊ |
B |
x,y,z |
1_555 |
20 |
4 |
11964 |
160.1 |
-0.7 |
0.494 |
0 |
0 |
0 |
0.003 |
Average: |
166.1 |
-0.7 |
0.512 |
0 |
0 |
0 |
0.003 |
12 |
79 |
|
M |
18 |
5 |
11954 |
◊ |
D |
x-y,-y,-z+1/3 |
5_555 |
23 |
8 |
11966 |
164.6 |
0.1 |
0.717 |
1 |
0 |
0 |
0.000 |
13 |
80 |
|
I |
15 |
4 |
11951 |
◊ |
C |
-x,-x+y,-z+2/3 |
6_555 |
14 |
4 |
11960 |
109.2 |
-1.8 |
0.368 |
0 |
0 |
0 |
0.005 |
81 |
|
Q |
14 |
4 |
11957 |
◊ |
A |
-x,-x+y,-z+2/3 |
6_555 |
14 |
4 |
11950 |
98.8 |
-2.0 |
0.329 |
0 |
0 |
0 |
0.005 |
82 |
|
M |
13 |
3 |
11954 |
◊ |
B |
-x,-x+y,-z+2/3 |
6_555 |
12 |
3 |
11964 |
95.1 |
-2.0 |
0.288 |
0 |
0 |
0 |
0.005 |
83 |
|
E |
12 |
3 |
11969 |
◊ |
D |
-x,-x+y,-z+2/3 |
6_555 |
12 |
3 |
11966 |
95.0 |
-2.1 |
0.272 |
0 |
0 |
0 |
0.005 |
Average: |
99.5 |
-2.0 |
0.314 |
0 |
0 |
0 |
0.005 |
14 |
84 |
|
[ZN]D:275 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
11966 |
37.4 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.358 |
85 |
|
[ZN]I:275 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
11 |
7 |
11951 |
37.1 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.358 |
86 |
|
[ZN]C:275 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
11960 |
37.1 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.358 |
87 |
|
[ZN]M:275 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
11 |
7 |
11954 |
37.1 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.358 |
88 |
|
[ZN]T:275 |
1 |
1 |
98 |
f |
T |
x,y,z |
1_555 |
10 |
6 |
11949 |
36.9 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.358 |
89 |
|
[ZN]R:275 |
1 |
1 |
98 |
f |
R |
x,y,z |
1_555 |
11 |
7 |
11958 |
36.9 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.358 |
90 |
|
[ZN]P:275 |
1 |
1 |
98 |
f |
P |
x,y,z |
1_555 |
11 |
7 |
11948 |
36.9 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.358 |
91 |
|
[ZN]G:275 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
10 |
6 |
11957 |
36.9 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.358 |
92 |
|
[ZN]J:275 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
11 |
7 |
11941 |
36.8 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.358 |
93 |
|
[ZN]H:275 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
11 |
7 |
11955 |
36.8 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.358 |
94 |
|
[ZN]F:275 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
11971 |
36.8 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.358 |
95 |
|
[ZN]O:275 |
1 |
1 |
98 |
f |
O |
x,y,z |
1_555 |
11 |
7 |
11948 |
36.7 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.358 |
96 |
|
[ZN]E:275 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
11 |
7 |
11969 |
36.6 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.358 |
97 |
|
[ZN]Q:275 |
1 |
1 |
98 |
f |
Q |
x,y,z |
1_555 |
11 |
7 |
11957 |
36.6 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.358 |
98 |
|
[ZN]B:275 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
11964 |
36.6 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.358 |
99 |
|
[ZN]A:275 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
11950 |
36.6 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.358 |
100 |
|
[ZN]K:275 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
11 |
7 |
11936 |
36.5 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.358 |
101 |
|
[ZN]N:275 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
10 |
6 |
11944 |
36.5 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.358 |
102 |
|
[ZN]L:275 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
10 |
6 |
11952 |
36.4 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.358 |
103 |
|
[ZN]S:275 |
1 |
1 |
98 |
f |
S |
x,y,z |
1_555 |
10 |
6 |
11955 |
36.4 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.358 |
Average: |
36.8 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.358 |
15 |
104 |
|
[PGH]O:300 |
4 |
1 |
320 |
f |
[ZN]O:275 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.7 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.196 |
105 |
|
[PGH]K:300 |
4 |
1 |
317 |
f |
[ZN]K:275 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.4 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.196 |
106 |
|
[PGH]H:300 |
4 |
1 |
317 |
f |
[ZN]H:275 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.4 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.196 |
107 |
|
[PGH]N:300 |
4 |
1 |
317 |
f |
[ZN]N:275 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.4 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.196 |
108 |
|
[PGH]E:300 |
4 |
1 |
317 |
f |
[ZN]E:275 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.3 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.196 |
109 |
|
[PGH]B:300 |
4 |
1 |
318 |
f |
[ZN]B:275 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.3 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.196 |
110 |
|
[PGH]R:300 |
4 |
1 |
317 |
f |
[ZN]R:275 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.3 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.196 |
111 |
|
[PGH]P:300 |
4 |
1 |
317 |
f |
[ZN]P:275 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.3 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.196 |
112 |
|
[PGH]D:300 |
4 |
1 |
318 |
f |
[ZN]D:275 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.3 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.196 |
113 |
|
[PGH]Q:300 |
4 |
1 |
318 |
f |
[ZN]Q:275 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.2 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.196 |
114 |
|
[PGH]C:300 |
4 |
1 |
317 |
f |
[ZN]C:275 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.1 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.196 |
115 |
|
[PGH]M:300 |
4 |
1 |
320 |
f |
[ZN]M:275 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.1 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.196 |
116 |
|
[PGH]F:300 |
4 |
1 |
318 |
f |
[ZN]F:275 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.0 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.196 |
117 |
|
[PGH]T:300 |
4 |
1 |
315 |
f |
[ZN]T:275 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.9 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.196 |
118 |
|
[PGH]A:300 |
4 |
1 |
315 |
f |
[ZN]A:275 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.9 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.196 |
119 |
|
[PGH]S:300 |
3 |
1 |
317 |
f |
[ZN]S:275 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.196 |
120 |
|
[PGH]G:300 |
4 |
1 |
317 |
f |
[ZN]G:275 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.196 |
121 |
|
[PGH]L:300 |
4 |
1 |
319 |
f |
[ZN]L:275 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.196 |
122 |
|
[PGH]I:300 |
4 |
1 |
317 |
f |
[ZN]I:275 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.6 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.196 |
123 |
|
[PGH]J:300 |
4 |
1 |
317 |
f |
[ZN]J:275 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.5 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.196 |
Average: |
32.1 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.196 |
16 |
124 |
|
M |
4 |
2 |
11954 |
◊ |
A |
x-y,-y,-z+1/3 |
5_555 |
4 |
2 |
11950 |
23.1 |
0.1 |
0.571 |
0 |
0 |
0 |
0.000 |
17 |
125 |
|
T |
3 |
1 |
11949 |
◊ |
K |
x-1,y,z |
1_455 |
4 |
2 |
11936 |
20.8 |
0.2 |
0.736 |
0 |
0 |
0 |
0.000 |
18 |
126 |
|
L |
4 |
2 |
11952 |
◊ |
I |
x-y,-y,-z+1/3 |
5_555 |
1 |
1 |
11951 |
10.2 |
-0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
19 |
127 |
|
D |
1 |
1 |
11966 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11964 |
3.8 |
-0.1 |
0.366 |
0 |
0 |
0 |
0.000 |
128 |
|
G |
1 |
1 |
11957 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
11969 |
3.7 |
-0.1 |
0.373 |
0 |
0 |
0 |
0.000 |
129 |
|
T |
1 |
1 |
11949 |
◊ |
R |
x,y,z |
1_555 |
1 |
1 |
11958 |
3.6 |
-0.1 |
0.379 |
0 |
0 |
0 |
0.000 |
130 |
|
O |
1 |
1 |
11948 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
11954 |
3.4 |
-0.1 |
0.386 |
0 |
0 |
0 |
0.000 |
131 |
|
C |
1 |
1 |
11960 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11950 |
3.4 |
-0.1 |
0.385 |
0 |
0 |
0 |
0.000 |
132 |
|
S |
1 |
1 |
11955 |
◊ |
Q |
x,y,z |
1_555 |
1 |
1 |
11957 |
3.0 |
-0.1 |
0.400 |
0 |
0 |
0 |
0.000 |
133 |
|
P |
1 |
1 |
11948 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
11944 |
3.0 |
-0.1 |
0.406 |
0 |
0 |
0 |
0.000 |
134 |
|
L |
1 |
1 |
11952 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
11941 |
2.8 |
-0.1 |
0.412 |
0 |
0 |
0 |
0.000 |
135 |
|
H |
1 |
1 |
11955 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
11971 |
2.3 |
-0.1 |
0.433 |
0 |
0 |
0 |
0.000 |
136 |
|
K |
1 |
1 |
11936 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
11951 |
2.3 |
-0.1 |
0.436 |
0 |
0 |
0 |
0.000 |
Average: |
3.1 |
-0.1 |
0.398 |
0 |
0 |
0 |
0.001 |
20 |
137 |
|
[PGH]F:300 |
2 |
1 |
318 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
11957 |
2.3 |
0.1 |
0.651 |
0 |
0 |
0 |
0.000 |
138 |
|
[PGH]J:300 |
3 |
1 |
317 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
11936 |
2.1 |
0.1 |
0.712 |
0 |
0 |
0 |
0.000 |
139 |
|
[PGH]S:300 |
2 |
1 |
317 |
◊ |
T |
x,y,z |
1_555 |
1 |
1 |
11949 |
2.1 |
0.1 |
0.649 |
0 |
0 |
0 |
0.000 |
140 |
|
[PGH]N:300 |
2 |
1 |
317 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
11948 |
2.0 |
0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
141 |
|
[PGH]O:300 |
2 |
1 |
320 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
11948 |
1.9 |
0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
142 |
|
[PGH]M:300 |
2 |
1 |
320 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
11944 |
1.6 |
0.1 |
0.641 |
0 |
0 |
0 |
0.000 |
143 |
|
[PGH]G:300 |
2 |
1 |
317 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
11955 |
1.6 |
0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
144 |
|
[PGH]L:300 |
2 |
1 |
319 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
11951 |
1.4 |
0.0 |
0.642 |
0 |
0 |
0 |
0.000 |
145 |
|
[PGH]E:300 |
2 |
1 |
317 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
11971 |
1.3 |
0.0 |
0.687 |
0 |
0 |
0 |
0.000 |
146 |
|
[PGH]I:300 |
2 |
1 |
317 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
11941 |
1.2 |
0.0 |
0.683 |
0 |
0 |
0 |
0.000 |
147 |
|
[PGH]H:300 |
2 |
1 |
317 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
11969 |
1.1 |
0.0 |
0.638 |
0 |
0 |
0 |
0.000 |
148 |
|
[PGH]K:300 |
2 |
1 |
317 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
11952 |
1.0 |
0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
149 |
|
[PGH]R:300 |
2 |
1 |
317 |
◊ |
S |
x,y,z |
1_555 |
1 |
1 |
11955 |
1.0 |
0.0 |
0.638 |
0 |
0 |
0 |
0.000 |
150 |
|
[PGH]B:300 |
1 |
1 |
318 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11960 |
0.6 |
0.0 |
0.601 |
0 |
0 |
0 |
0.000 |
151 |
|
[PGH]D:300 |
1 |
1 |
318 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11950 |
0.5 |
0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
152 |
|
[PGH]T:300 |
1 |
1 |
315 |
◊ |
Q |
x,y,z |
1_555 |
1 |
1 |
11957 |
0.4 |
0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
153 |
|
[PGH]A:300 |
1 |
1 |
315 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11964 |
0.3 |
0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
154 |
|
[PGH]Q:300 |
1 |
1 |
318 |
◊ |
R |
x,y,z |
1_555 |
1 |
1 |
11958 |
0.3 |
0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
Average: |
1.3 |
0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
21 |
155 |
|
[ZN]J:275 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
11936 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|