## |
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 |
102 |
27 |
8183 |
◊ |
D |
x,y,z |
1_555 |
83 |
21 |
8225 |
887.3 |
-15.6 |
0.073 |
6 |
0 |
0 |
0.400 |
2 |
|
F |
82 |
19 |
8152 |
◊ |
D |
x,y,z |
1_555 |
97 |
26 |
8225 |
868.4 |
-16.6 |
0.052 |
5 |
1 |
0 |
0.400 |
3 |
|
B |
96 |
26 |
7961 |
◊ |
A |
x,y,z |
1_555 |
81 |
20 |
7924 |
862.4 |
-14.4 |
0.073 |
5 |
0 |
0 |
0.400 |
4 |
|
F |
102 |
25 |
8152 |
◊ |
E |
x,y,z |
1_555 |
77 |
20 |
8183 |
837.1 |
-16.6 |
0.039 |
4 |
0 |
0 |
0.400 |
5 |
|
C |
85 |
20 |
8069 |
◊ |
A |
x,y,z |
1_555 |
99 |
25 |
7924 |
836.7 |
-15.4 |
0.065 |
6 |
0 |
0 |
0.400 |
6 |
|
L |
77 |
19 |
8020 |
◊ |
J |
x,y,z |
1_555 |
93 |
25 |
7833 |
823.6 |
-15.7 |
0.045 |
5 |
0 |
0 |
0.400 |
7 |
|
H |
98 |
25 |
8256 |
◊ |
G |
x,y,z |
1_555 |
76 |
18 |
7985 |
817.2 |
-14.8 |
0.067 |
3 |
0 |
0 |
0.400 |
8 |
|
L |
90 |
24 |
8020 |
◊ |
K |
x,y,z |
1_555 |
77 |
18 |
7969 |
809.9 |
-15.4 |
0.051 |
6 |
0 |
0 |
0.400 |
9 |
|
C |
93 |
23 |
8069 |
◊ |
B |
x,y,z |
1_555 |
74 |
19 |
7961 |
776.2 |
-15.0 |
0.045 |
6 |
0 |
0 |
0.400 |
10 |
|
K |
91 |
25 |
7969 |
◊ |
J |
x,y,z |
1_555 |
72 |
18 |
7833 |
775.1 |
-14.4 |
0.063 |
6 |
0 |
0 |
0.400 |
Average: |
829.4 |
-15.4 |
0.057 |
5 |
0 |
0 |
0.400 |
2 |
11 |
|
I |
81 |
20 |
7901 |
◊ |
G |
x,y,z |
1_555 |
102 |
25 |
7985 |
860.1 |
-15.4 |
0.059 |
7 |
0 |
0 |
0.253 |
3 |
12 |
|
I |
91 |
24 |
7901 |
◊ |
H |
x,y,z |
1_555 |
71 |
15 |
8256 |
780.7 |
-14.4 |
0.066 |
5 |
0 |
0 |
0.231 |
4 |
13 |
|
L |
48 |
14 |
8020 |
◊ |
I |
-x-3/2,-y,z-1/2 |
2_354 |
47 |
13 |
7901 |
414.3 |
-0.8 |
0.754 |
4 |
1 |
0 |
0.000 |
14 |
|
G |
46 |
13 |
7985 |
◊ |
D |
x,y,z |
1_555 |
45 |
14 |
8225 |
409.8 |
-0.3 |
0.783 |
7 |
2 |
0 |
0.000 |
15 |
|
K |
48 |
13 |
7969 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
4_444 |
48 |
14 |
7961 |
409.7 |
-0.4 |
0.778 |
4 |
2 |
0 |
0.000 |
16 |
|
K |
46 |
14 |
7969 |
◊ |
F |
x,y,z |
1_555 |
45 |
13 |
8152 |
407.6 |
-0.1 |
0.798 |
6 |
2 |
0 |
0.000 |
17 |
|
E |
45 |
14 |
8183 |
◊ |
A |
x,y,z |
1_555 |
47 |
15 |
7924 |
407.3 |
-0.5 |
0.759 |
5 |
2 |
0 |
0.000 |
18 |
|
J |
46 |
14 |
7833 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
4_444 |
46 |
14 |
8069 |
406.9 |
-0.5 |
0.763 |
6 |
1 |
0 |
0.000 |
19 |
|
H |
47 |
12 |
8256 |
◊ |
F |
x,y,z |
1_555 |
43 |
12 |
8152 |
404.5 |
-0.2 |
0.793 |
5 |
2 |
0 |
0.000 |
20 |
|
L |
43 |
13 |
8020 |
◊ |
E |
x,y,z |
1_555 |
47 |
14 |
8183 |
404.1 |
-0.3 |
0.777 |
4 |
2 |
0 |
0.000 |
21 |
|
D |
43 |
13 |
8225 |
◊ |
B |
x,y,z |
1_555 |
45 |
13 |
7961 |
394.6 |
-0.8 |
0.738 |
4 |
1 |
0 |
0.000 |
Average: |
406.5 |
-0.4 |
0.771 |
5 |
2 |
0 |
0.000 |
5 |
22 |
|
A |
41 |
13 |
7924 |
◊ |
I |
-x-1/2,-y,z-1/2 |
2_454 |
40 |
11 |
7901 |
371.2 |
-0.1 |
0.772 |
2 |
2 |
0 |
0.012 |
6 |
23 |
|
J |
30 |
10 |
7833 |
◊ |
I |
-x-3/2,-y,z-1/2 |
2_354 |
29 |
9 |
7901 |
325.0 |
-1.7 |
0.587 |
4 |
0 |
0 |
0.000 |
24 |
|
L |
30 |
9 |
8020 |
◊ |
F |
x,y,z |
1_555 |
29 |
9 |
8152 |
321.8 |
-1.0 |
0.660 |
4 |
0 |
0 |
0.000 |
25 |
|
K |
27 |
9 |
7969 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
4_444 |
28 |
9 |
8069 |
311.1 |
-1.6 |
0.590 |
4 |
0 |
0 |
0.000 |
26 |
|
H |
27 |
9 |
8256 |
◊ |
D |
x,y,z |
1_555 |
27 |
9 |
8225 |
298.8 |
-1.2 |
0.637 |
4 |
0 |
0 |
0.000 |
27 |
|
E |
28 |
9 |
8183 |
◊ |
B |
x,y,z |
1_555 |
26 |
9 |
7961 |
293.4 |
-1.5 |
0.588 |
4 |
0 |
0 |
0.000 |
Average: |
310.0 |
-1.4 |
0.612 |
4 |
0 |
0 |
0.000 |
7 |
28 |
|
A |
29 |
10 |
7924 |
◊ |
G |
-x-1/2,-y,z-1/2 |
2_454 |
22 |
7 |
7985 |
253.6 |
-4.4 |
0.214 |
1 |
0 |
0 |
0.046 |
8 |
29 |
|
J |
17 |
6 |
7833 |
◊ |
H |
-x-3/2,-y,z-1/2 |
2_354 |
15 |
7 |
8256 |
116.1 |
-0.6 |
0.624 |
1 |
0 |
0 |
0.000 |
9 |
30 |
|
[MAN]J:404 |
10 |
1 |
300 |
f |
J |
x,y,z |
1_555 |
11 |
7 |
7833 |
104.4 |
1.7 |
0.307 |
2 |
0 |
0 |
0.000 |
31 |
|
[MAN]A:406 |
9 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
7924 |
101.8 |
2.0 |
0.282 |
3 |
0 |
0 |
0.000 |
32 |
|
[MAN]F:405 |
10 |
1 |
292 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
8152 |
99.8 |
1.9 |
0.247 |
2 |
0 |
0 |
0.000 |
33 |
|
[MAN]L:405 |
10 |
1 |
290 |
f |
L |
x,y,z |
1_555 |
11 |
7 |
8020 |
99.7 |
1.8 |
0.270 |
3 |
0 |
0 |
0.000 |
34 |
|
[MAN]B:405 |
10 |
1 |
289 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
7961 |
99.7 |
1.9 |
0.281 |
2 |
0 |
0 |
0.000 |
35 |
|
[MAN]D:405 |
10 |
1 |
290 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
8225 |
99.7 |
1.8 |
0.248 |
2 |
0 |
0 |
0.000 |
36 |
|
[MAN]H:405 |
10 |
1 |
289 |
f |
H |
x,y,z |
1_555 |
11 |
7 |
8256 |
98.3 |
1.8 |
0.258 |
2 |
0 |
0 |
0.000 |
37 |
|
[MAN]I:405 |
10 |
1 |
290 |
f |
I |
x,y,z |
1_555 |
11 |
7 |
7901 |
96.7 |
1.6 |
0.256 |
2 |
0 |
0 |
0.000 |
Average: |
100.0 |
1.8 |
0.269 |
2 |
0 |
0 |
0.000 |
10 |
38 |
|
[MAN]C:405 |
8 |
1 |
290 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
8069 |
103.5 |
2.6 |
0.474 |
2 |
0 |
0 |
0.000 |
39 |
|
[MAN]E:406 |
8 |
1 |
289 |
f |
E |
x,y,z |
1_555 |
13 |
7 |
8183 |
99.4 |
2.6 |
0.453 |
2 |
0 |
0 |
0.000 |
40 |
|
[MAN]I:406 |
8 |
1 |
287 |
f |
I |
x,y,z |
1_555 |
12 |
7 |
7901 |
98.1 |
2.4 |
0.471 |
2 |
0 |
0 |
0.000 |
41 |
|
[MAN]L:406 |
8 |
1 |
288 |
f |
L |
x,y,z |
1_555 |
13 |
8 |
8020 |
97.9 |
2.6 |
0.478 |
1 |
0 |
0 |
0.000 |
42 |
|
[MAN]H:406 |
8 |
1 |
288 |
f |
H |
x,y,z |
1_555 |
13 |
7 |
8256 |
97.4 |
2.5 |
0.478 |
1 |
0 |
0 |
0.000 |
43 |
|
[MAN]K:406 |
8 |
1 |
289 |
f |
K |
x,y,z |
1_555 |
13 |
7 |
7969 |
97.2 |
2.7 |
0.485 |
1 |
0 |
0 |
0.000 |
44 |
|
[MAN]A:407 |
8 |
1 |
288 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
7924 |
94.8 |
2.5 |
0.448 |
1 |
0 |
0 |
0.000 |
Average: |
98.3 |
2.5 |
0.470 |
1 |
0 |
0 |
0.000 |
11 |
45 |
|
[MAN]E:405 |
10 |
1 |
289 |
f |
E |
x,y,z |
1_555 |
10 |
7 |
8183 |
102.3 |
1.9 |
0.277 |
3 |
0 |
0 |
0.000 |
46 |
|
[MAN]C:404 |
10 |
1 |
299 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
8069 |
101.4 |
1.6 |
0.265 |
3 |
0 |
0 |
0.000 |
47 |
|
[MAN]G:406 |
10 |
1 |
290 |
f |
G |
x,y,z |
1_555 |
11 |
7 |
7985 |
96.6 |
1.7 |
0.245 |
2 |
0 |
0 |
0.000 |
Average: |
100.1 |
1.7 |
0.262 |
3 |
0 |
0 |
0.000 |
12 |
48 |
|
[MAN]F:406 |
8 |
1 |
290 |
f |
F |
x,y,z |
1_555 |
14 |
8 |
8152 |
100.4 |
2.6 |
0.502 |
1 |
0 |
0 |
0.000 |
49 |
|
[MAN]J:405 |
8 |
1 |
290 |
f |
J |
x,y,z |
1_555 |
15 |
8 |
7833 |
99.8 |
2.5 |
0.490 |
1 |
0 |
0 |
0.000 |
50 |
|
[MAN]G:407 |
8 |
1 |
288 |
f |
G |
x,y,z |
1_555 |
13 |
7 |
7985 |
99.3 |
2.6 |
0.456 |
2 |
0 |
0 |
0.000 |
51 |
|
[MAN]B:406 |
8 |
1 |
289 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
7961 |
99.2 |
2.6 |
0.501 |
1 |
0 |
0 |
0.000 |
52 |
|
[MAN]D:406 |
8 |
1 |
287 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
8225 |
97.4 |
2.5 |
0.502 |
2 |
0 |
0 |
0.000 |
Average: |
99.2 |
2.6 |
0.490 |
1 |
0 |
0 |
0.000 |
13 |
53 |
|
[MAN]K:405 |
9 |
1 |
290 |
f |
K |
x,y,z |
1_555 |
11 |
7 |
7969 |
98.2 |
1.8 |
0.282 |
2 |
0 |
0 |
0.000 |
14 |
54 |
|
[MAN]H:405 |
6 |
1 |
289 |
cf |
[MAN]H:404 |
x,y,z |
1_555 |
7 |
1 |
301 |
64.9 |
2.7 |
0.236 |
0 |
0 |
0 |
0.000 |
15 |
55 |
|
[MAN]G:405 |
7 |
1 |
300 |
f |
G |
x,y,z |
1_555 |
8 |
4 |
7985 |
63.4 |
0.8 |
0.311 |
0 |
0 |
0 |
0.000 |
56 |
|
[MAN]B:404 |
8 |
1 |
300 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
7961 |
59.4 |
0.8 |
0.273 |
0 |
0 |
0 |
0.000 |
Average: |
61.4 |
0.8 |
0.292 |
0 |
0 |
0 |
0.000 |
16 |
57 |
|
[MAN]K:404 |
6 |
1 |
299 |
f |
K |
x,y,z |
1_555 |
8 |
4 |
7969 |
60.8 |
0.3 |
0.280 |
1 |
0 |
0 |
0.001 |
17 |
58 |
|
[MAN]I:405 |
6 |
1 |
290 |
cf |
[MAN]I:404 |
x,y,z |
1_555 |
8 |
1 |
299 |
60.3 |
2.5 |
0.186 |
0 |
0 |
0 |
0.000 |
59 |
|
[MAN]E:405 |
6 |
1 |
289 |
cf |
[MAN]E:404 |
x,y,z |
1_555 |
8 |
1 |
298 |
59.0 |
2.4 |
0.189 |
0 |
0 |
0 |
0.000 |
Average: |
59.7 |
2.4 |
0.188 |
0 |
0 |
0 |
0.000 |
18 |
60 |
|
[MAN]I:404 |
7 |
1 |
299 |
f |
I |
x,y,z |
1_555 |
7 |
4 |
7901 |
59.3 |
0.4 |
0.254 |
0 |
0 |
0 |
0.000 |
19 |
61 |
|
[MAN]F:404 |
6 |
1 |
301 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
8152 |
59.0 |
0.5 |
0.313 |
0 |
0 |
0 |
0.000 |
20 |
62 |
|
[MAN]E:404 |
7 |
1 |
298 |
f |
E |
x,y,z |
1_555 |
7 |
4 |
8183 |
58.7 |
0.2 |
0.232 |
0 |
0 |
0 |
0.000 |
21 |
63 |
|
[MAN]A:406 |
7 |
1 |
291 |
cf |
[MAN]A:405 |
x,y,z |
1_555 |
7 |
1 |
299 |
58.3 |
2.3 |
0.159 |
0 |
0 |
0 |
0.000 |
22 |
64 |
|
[MAN]F:405 |
6 |
1 |
292 |
cf |
[MAN]F:404 |
x,y,z |
1_555 |
5 |
1 |
301 |
58.1 |
2.7 |
0.301 |
0 |
0 |
0 |
0.000 |
23 |
65 |
|
[MAN]G:406 |
6 |
1 |
290 |
cf |
[MAN]G:405 |
x,y,z |
1_555 |
6 |
1 |
300 |
57.5 |
2.7 |
0.249 |
0 |
0 |
0 |
0.000 |
24 |
66 |
|
[MAN]J:405 |
6 |
1 |
290 |
cf |
[MAN]J:404 |
x,y,z |
1_555 |
4 |
1 |
300 |
57.5 |
2.7 |
0.362 |
0 |
0 |
0 |
0.000 |
25 |
67 |
|
[MAN]D:405 |
6 |
1 |
290 |
cf |
[MAN]D:404 |
x,y,z |
1_555 |
7 |
1 |
301 |
57.3 |
2.3 |
0.203 |
0 |
0 |
0 |
0.000 |
26 |
68 |
|
[MAN]L:405 |
6 |
1 |
290 |
cf |
[MAN]L:404 |
x,y,z |
1_555 |
5 |
1 |
302 |
57.1 |
2.4 |
0.256 |
0 |
0 |
0 |
0.000 |
27 |
69 |
|
[MAN]K:405 |
6 |
1 |
290 |
cf |
[MAN]K:404 |
x,y,z |
1_555 |
5 |
1 |
299 |
57.1 |
2.8 |
0.320 |
0 |
0 |
0 |
0.000 |
70 |
|
[MAN]B:406 |
6 |
1 |
289 |
cf |
[MAN]B:405 |
x,y,z |
1_555 |
5 |
1 |
289 |
56.6 |
2.7 |
0.307 |
0 |
0 |
0 |
0.000 |
71 |
|
[MAN]L:406 |
6 |
1 |
288 |
cf |
[MAN]L:405 |
x,y,z |
1_555 |
4 |
1 |
290 |
56.5 |
2.7 |
0.323 |
0 |
0 |
0 |
0.000 |
72 |
|
[MAN]H:406 |
6 |
1 |
288 |
cf |
[MAN]H:405 |
x,y,z |
1_555 |
5 |
1 |
289 |
56.5 |
2.7 |
0.287 |
0 |
0 |
0 |
0.000 |
73 |
|
[MAN]A:407 |
6 |
1 |
288 |
cf |
[MAN]A:406 |
x,y,z |
1_555 |
5 |
1 |
291 |
56.5 |
2.7 |
0.268 |
0 |
0 |
0 |
0.000 |
74 |
|
[MAN]K:406 |
6 |
1 |
289 |
cf |
[MAN]K:405 |
x,y,z |
1_555 |
5 |
1 |
290 |
56.3 |
2.7 |
0.272 |
0 |
0 |
0 |
0.000 |
75 |
|
[MAN]D:406 |
6 |
1 |
287 |
cf |
[MAN]D:405 |
x,y,z |
1_555 |
5 |
1 |
290 |
56.3 |
2.7 |
0.283 |
0 |
0 |
0 |
0.000 |
76 |
|
[MAN]F:406 |
6 |
1 |
290 |
cf |
[MAN]F:405 |
x,y,z |
1_555 |
5 |
1 |
292 |
56.1 |
2.7 |
0.272 |
0 |
0 |
0 |
0.000 |
77 |
|
[MAN]G:407 |
6 |
1 |
288 |
cf |
[MAN]G:406 |
x,y,z |
1_555 |
5 |
1 |
290 |
55.9 |
2.6 |
0.258 |
0 |
0 |
0 |
0.000 |
Average: |
56.4 |
2.7 |
0.288 |
0 |
0 |
0 |
0.000 |
28 |
78 |
|
[MAN]C:405 |
6 |
1 |
290 |
cf |
[MAN]C:404 |
x,y,z |
1_555 |
5 |
1 |
299 |
56.9 |
2.7 |
0.321 |
0 |
0 |
0 |
0.000 |
29 |
79 |
|
[MAN]B:405 |
6 |
1 |
289 |
cf |
[MAN]B:404 |
x,y,z |
1_555 |
6 |
1 |
300 |
56.4 |
2.7 |
0.256 |
0 |
0 |
0 |
0.000 |
30 |
80 |
|
[MAN]E:406 |
6 |
1 |
289 |
cf |
[MAN]E:405 |
x,y,z |
1_555 |
5 |
1 |
289 |
56.3 |
2.7 |
0.275 |
0 |
0 |
0 |
0.000 |
81 |
|
[MAN]I:406 |
6 |
1 |
287 |
cf |
[MAN]I:405 |
x,y,z |
1_555 |
5 |
1 |
290 |
56.2 |
2.7 |
0.287 |
0 |
0 |
0 |
0.000 |
Average: |
56.3 |
2.7 |
0.281 |
0 |
0 |
0 |
0.000 |
31 |
82 |
|
[MAN]E:406 |
5 |
1 |
289 |
◊ |
L |
x,y,z |
1_555 |
9 |
4 |
8020 |
55.8 |
0.5 |
0.279 |
0 |
0 |
0 |
0.000 |
83 |
|
[MAN]L:406 |
5 |
1 |
288 |
◊ |
I |
-x-3/2,-y,z-1/2 |
2_354 |
9 |
5 |
7901 |
49.7 |
0.2 |
0.286 |
0 |
0 |
0 |
0.000 |
84 |
|
[MAN]F:406 |
5 |
1 |
290 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
8256 |
48.9 |
0.4 |
0.295 |
0 |
0 |
0 |
0.000 |
85 |
|
[MAN]G:407 |
4 |
1 |
288 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
8225 |
46.8 |
0.3 |
0.296 |
0 |
0 |
0 |
0.000 |
86 |
|
K |
7 |
3 |
7969 |
◊ |
[MAN]B:406 |
-x-1,y-1/2,-z-1/2 |
4_444 |
4 |
1 |
289 |
46.3 |
0.4 |
0.298 |
0 |
0 |
0 |
0.000 |
87 |
|
[MAN]D:406 |
4 |
1 |
287 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
7961 |
41.6 |
0.3 |
0.294 |
0 |
0 |
0 |
0.000 |
Average: |
48.2 |
0.3 |
0.291 |
0 |
0 |
0 |
0.000 |
32 |
88 |
|
[MAN]K:406 |
6 |
1 |
289 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
8152 |
55.7 |
0.4 |
0.259 |
0 |
0 |
0 |
0.000 |
89 |
|
[MAN]J:405 |
6 |
1 |
290 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
4_444 |
8 |
4 |
8069 |
50.5 |
0.4 |
0.250 |
0 |
0 |
0 |
0.000 |
Average: |
53.1 |
0.4 |
0.254 |
0 |
0 |
0 |
0.000 |
33 |
90 |
|
[MAN]A:405 |
6 |
1 |
299 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7924 |
54.9 |
0.1 |
0.257 |
0 |
0 |
0 |
0.000 |
34 |
91 |
|
[MAN]D:404 |
5 |
1 |
301 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
8225 |
53.1 |
-0.0 |
0.263 |
0 |
0 |
0 |
0.000 |
35 |
92 |
|
[MAN]A:407 |
4 |
1 |
288 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
8183 |
51.7 |
0.4 |
0.303 |
0 |
0 |
0 |
0.000 |
36 |
93 |
|
[MAN]H:404 |
5 |
1 |
301 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
8256 |
50.5 |
0.2 |
0.275 |
0 |
0 |
0 |
0.000 |
37 |
94 |
|
[MAN]L:404 |
6 |
1 |
302 |
f |
L |
x,y,z |
1_555 |
6 |
3 |
8020 |
47.8 |
0.3 |
0.263 |
0 |
0 |
0 |
0.000 |
38 |
95 |
|
A |
8 |
3 |
7924 |
◊ |
[MAN]I:406 |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
287 |
47.2 |
-0.0 |
0.256 |
0 |
0 |
0 |
0.000 |
39 |
96 |
|
[CA]B:403 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
7961 |
45.7 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.266 |
97 |
|
[CA]E:403 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
9 |
6 |
8183 |
45.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.266 |
98 |
|
[CA]A:403 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
7924 |
45.6 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.266 |
99 |
|
[CA]D:403 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
8225 |
45.4 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.266 |
100 |
|
[CA]C:403 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
8069 |
45.4 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.266 |
101 |
|
[CA]J:403 |
1 |
1 |
85 |
f |
J |
x,y,z |
1_555 |
8 |
5 |
7833 |
45.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.266 |
102 |
|
[CA]I:403 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
9 |
5 |
7901 |
45.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.266 |
103 |
|
[CA]H:403 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
9 |
6 |
8256 |
45.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.266 |
104 |
|
[CA]L:403 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
10 |
6 |
8020 |
45.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.266 |
105 |
|
[CA]F:403 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
8 |
5 |
8152 |
45.2 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.266 |
106 |
|
[CA]K:403 |
1 |
1 |
85 |
f |
K |
x,y,z |
1_555 |
9 |
6 |
7969 |
45.1 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.266 |
107 |
|
[CA]G:403 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
9 |
6 |
7985 |
44.6 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.266 |
Average: |
45.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.266 |
40 |
108 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
7924 |
38.6 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.329 |
109 |
|
[CA]G:402 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
3 |
3 |
7985 |
38.6 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.329 |
110 |
|
[CA]J:402 |
1 |
1 |
85 |
f |
J |
x,y,z |
1_555 |
3 |
3 |
7833 |
38.5 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.329 |
111 |
|
[CA]H:402 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
4 |
4 |
8256 |
38.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.329 |
112 |
|
[CA]B:402 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
7961 |
38.4 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.329 |
113 |
|
[CA]F:402 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
5 |
5 |
8152 |
38.3 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.329 |
114 |
|
[CA]E:402 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
4 |
4 |
8183 |
38.2 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.329 |
115 |
|
[CA]K:402 |
1 |
1 |
85 |
f |
K |
x,y,z |
1_555 |
3 |
3 |
7969 |
38.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.329 |
116 |
|
[CA]C:402 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
4 |
4 |
8069 |
38.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.329 |
117 |
|
[CA]I:402 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
3 |
3 |
7901 |
38.0 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.329 |
118 |
|
[CA]L:402 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
5 |
5 |
8020 |
38.0 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.329 |
119 |
|
[CA]D:402 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
4 |
4 |
8225 |
37.8 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.329 |
Average: |
38.2 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.329 |
41 |
120 |
|
[CA]G:401 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
8 |
5 |
7985 |
31.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.246 |
121 |
|
[CA]D:401 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
8225 |
31.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.246 |
122 |
|
[CA]I:401 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
8 |
5 |
7901 |
31.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.246 |
123 |
|
[CA]J:401 |
1 |
1 |
85 |
f |
J |
x,y,z |
1_555 |
8 |
5 |
7833 |
31.3 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.246 |
124 |
|
[CA]F:401 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
8152 |
31.2 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.246 |
125 |
|
[CA]C:401 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
8069 |
31.2 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.246 |
126 |
|
[CA]A:401 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
7924 |
31.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.246 |
127 |
|
[CA]K:401 |
1 |
1 |
85 |
f |
K |
x,y,z |
1_555 |
8 |
5 |
7969 |
31.1 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.246 |
128 |
|
[CA]L:401 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
7 |
4 |
8020 |
30.9 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.246 |
129 |
|
[CA]H:401 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
8 |
5 |
8256 |
30.8 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.246 |
130 |
|
[CA]B:401 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
7961 |
30.8 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.246 |
131 |
|
[CA]E:401 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
7 |
5 |
8183 |
30.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.246 |
Average: |
31.2 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.246 |
42 |
132 |
|
[MAN]B:406 |
5 |
1 |
289 |
f |
[MAN]B:404 |
x,y,z |
1_555 |
3 |
1 |
300 |
31.4 |
1.1 |
0.217 |
0 |
0 |
0 |
0.000 |
43 |
133 |
|
[MAN]K:406 |
4 |
1 |
289 |
f |
[MAN]K:404 |
x,y,z |
1_555 |
3 |
1 |
299 |
27.5 |
1.1 |
0.282 |
0 |
0 |
0 |
0.000 |
44 |
134 |
|
[MAN]G:406 |
3 |
1 |
290 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
8225 |
26.3 |
-0.0 |
0.324 |
0 |
0 |
0 |
0.000 |
135 |
|
[MAN]F:405 |
3 |
1 |
292 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
8256 |
24.4 |
-0.1 |
0.314 |
0 |
0 |
0 |
0.000 |
136 |
|
[MAN]J:404 |
3 |
1 |
300 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
4_444 |
5 |
2 |
8069 |
24.3 |
-0.2 |
0.317 |
0 |
0 |
0 |
0.000 |
137 |
|
[MAN]A:406 |
2 |
1 |
291 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
8183 |
22.4 |
0.0 |
0.353 |
0 |
0 |
0 |
0.000 |
138 |
|
[MAN]D:405 |
1 |
1 |
290 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
7961 |
16.3 |
-0.1 |
0.290 |
0 |
0 |
0 |
0.000 |
139 |
|
K |
4 |
2 |
7969 |
◊ |
[MAN]B:405 |
-x-1,y-1/2,-z-1/2 |
4_444 |
3 |
1 |
289 |
14.6 |
-0.0 |
0.287 |
0 |
0 |
0 |
0.000 |
Average: |
21.4 |
-0.0 |
0.314 |
0 |
0 |
0 |
0.000 |
45 |
140 |
|
[MAN]H:405 |
3 |
1 |
289 |
f |
[CA]H:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
26.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.121 |
141 |
|
[MAN]L:405 |
4 |
1 |
290 |
f |
[CA]L:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
26.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.121 |
142 |
|
[MAN]E:405 |
4 |
1 |
289 |
f |
[CA]E:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.121 |
143 |
|
[MAN]K:405 |
3 |
1 |
290 |
f |
[CA]K:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.121 |
144 |
|
[MAN]A:406 |
3 |
1 |
291 |
f |
[CA]A:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.121 |
145 |
|
[MAN]J:404 |
3 |
1 |
300 |
f |
[CA]J:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.121 |
146 |
|
[MAN]B:405 |
3 |
1 |
289 |
f |
[CA]B:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.121 |
147 |
|
[MAN]F:405 |
3 |
1 |
292 |
f |
[CA]F:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.121 |
148 |
|
[MAN]C:404 |
4 |
1 |
299 |
f |
[CA]C:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.121 |
149 |
|
[MAN]G:406 |
4 |
1 |
290 |
f |
[CA]G:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.121 |
150 |
|
[MAN]D:405 |
3 |
1 |
290 |
f |
[CA]D:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.121 |
151 |
|
[MAN]I:405 |
3 |
1 |
290 |
f |
[CA]I:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.121 |
Average: |
25.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.121 |
46 |
152 |
|
[MAN]G:407 |
4 |
1 |
288 |
f |
[MAN]G:405 |
x,y,z |
1_555 |
3 |
1 |
300 |
25.6 |
0.9 |
0.215 |
0 |
0 |
0 |
0.000 |
47 |
153 |
|
[CA]A:404 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
7924 |
25.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.080 |
154 |
|
[CA]G:404 |
1 |
1 |
85 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
7985 |
25.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.080 |
155 |
|
[CA]G:404 |
1 |
1 |
85 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
7901 |
24.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.080 |
156 |
|
[CA]A:404 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
7961 |
24.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.080 |
157 |
|
[CA]G:404 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
8256 |
24.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.080 |
158 |
|
[CA]A:404 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
8069 |
23.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
24.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.080 |
48 |
159 |
|
[MAN]L:406 |
4 |
1 |
288 |
f |
[MAN]L:404 |
x,y,z |
1_555 |
3 |
1 |
302 |
24.7 |
1.0 |
0.260 |
0 |
0 |
0 |
0.000 |
49 |
160 |
|
[MAN]F:406 |
4 |
1 |
290 |
f |
[MAN]F:404 |
x,y,z |
1_555 |
3 |
1 |
301 |
23.6 |
0.9 |
0.244 |
0 |
0 |
0 |
0.000 |
50 |
161 |
|
[MAN]A:407 |
4 |
1 |
288 |
f |
[MAN]A:405 |
x,y,z |
1_555 |
2 |
1 |
299 |
22.4 |
1.1 |
0.267 |
0 |
0 |
0 |
0.000 |
51 |
162 |
|
[MAN]E:406 |
4 |
1 |
289 |
f |
[MAN]E:404 |
x,y,z |
1_555 |
3 |
1 |
298 |
21.0 |
0.9 |
0.237 |
0 |
0 |
0 |
0.000 |
52 |
163 |
|
[MAN]D:406 |
4 |
1 |
287 |
f |
[MAN]D:404 |
x,y,z |
1_555 |
2 |
1 |
301 |
20.9 |
1.0 |
0.253 |
0 |
0 |
0 |
0.000 |
53 |
164 |
|
[MAN]K:405 |
3 |
1 |
290 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
8152 |
20.1 |
-0.0 |
0.317 |
0 |
0 |
0 |
0.000 |
165 |
|
[MAN]E:405 |
4 |
1 |
289 |
◊ |
L |
x,y,z |
1_555 |
4 |
2 |
8020 |
17.3 |
-0.2 |
0.224 |
0 |
0 |
0 |
0.000 |
166 |
|
[MAN]L:405 |
3 |
1 |
290 |
◊ |
I |
-x-3/2,-y,z-1/2 |
2_354 |
3 |
2 |
7901 |
17.2 |
0.0 |
0.289 |
0 |
0 |
0 |
0.000 |
Average: |
18.2 |
-0.1 |
0.277 |
0 |
0 |
0 |
0.000 |
54 |
167 |
|
[MAN]H:406 |
4 |
1 |
288 |
f |
[MAN]H:404 |
x,y,z |
1_555 |
3 |
1 |
301 |
18.8 |
0.9 |
0.246 |
0 |
0 |
0 |
0.000 |
55 |
168 |
|
[MAN]I:406 |
4 |
1 |
287 |
f |
[MAN]I:404 |
x,y,z |
1_555 |
2 |
1 |
299 |
16.9 |
0.8 |
0.241 |
0 |
0 |
0 |
0.000 |
56 |
169 |
|
[CA]D:403 |
1 |
1 |
85 |
f |
[CA]D:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.023 |
57 |
170 |
|
[CA]L:403 |
1 |
1 |
85 |
f |
[CA]L:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.023 |
58 |
171 |
|
[CA]C:403 |
1 |
1 |
85 |
f |
[CA]C:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.023 |
59 |
172 |
|
[CA]I:403 |
1 |
1 |
85 |
f |
[CA]I:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.044 |
60 |
173 |
|
[CA]K:403 |
1 |
1 |
85 |
f |
[CA]K:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.022 |
61 |
174 |
|
[CA]F:403 |
1 |
1 |
85 |
f |
[CA]F:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.021 |
62 |
175 |
|
[CA]B:403 |
1 |
1 |
85 |
f |
[CA]B:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.021 |
63 |
176 |
|
[CA]E:403 |
1 |
1 |
85 |
f |
[CA]E:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.021 |
64 |
177 |
|
[CA]A:403 |
1 |
1 |
85 |
f |
[CA]A:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.027 |
65 |
178 |
|
[CA]H:403 |
1 |
1 |
85 |
f |
[CA]H:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.041 |
66 |
179 |
|
[CA]J:403 |
1 |
1 |
85 |
f |
[CA]J:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.020 |
67 |
180 |
|
[CA]G:403 |
1 |
1 |
85 |
f |
[CA]G:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.039 |
68 |
181 |
|
C |
1 |
1 |
8069 |
◊ |
G |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
7985 |
5.3 |
-0.0 |
0.520 |
0 |
0 |
0 |
0.000 |
69 |
182 |
|
C |
1 |
1 |
8069 |
◊ |
I |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
7901 |
5.1 |
0.4 |
0.861 |
0 |
0 |
0 |
0.000 |
183 |
|
L |
1 |
1 |
8020 |
◊ |
H |
-x-3/2,-y,z-1/2 |
2_354 |
1 |
1 |
8256 |
1.7 |
0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
Average: |
3.4 |
0.2 |
0.736 |
0 |
0 |
0 |
0.000 |
70 |
184 |
|
[MAN]C:405 |
1 |
1 |
290 |
f |
[CA]C:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
1.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
185 |
|
[MAN]E:406 |
1 |
1 |
289 |
f |
[CA]E:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
186 |
|
[MAN]H:406 |
1 |
1 |
288 |
f |
[CA]H:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
0.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
187 |
|
[MAN]J:405 |
1 |
1 |
290 |
f |
[CA]J:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
0.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
188 |
|
[MAN]B:406 |
1 |
1 |
289 |
f |
[CA]B:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.001 |
189 |
|
[MAN]F:406 |
1 |
1 |
290 |
f |
[CA]F:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
0.4 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.001 |
190 |
|
[MAN]K:406 |
1 |
1 |
289 |
f |
[CA]K:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
0.4 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.001 |
191 |
|
[MAN]L:406 |
1 |
1 |
288 |
f |
[CA]L:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
|