## |
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 |
|
B |
160 |
44 |
23870 |
x |
B |
z-1/2,-x+1/2,-y+1 |
6_456 |
156 |
40 |
23870 |
1479.6 |
-12.4 |
0.300 |
19 |
7 |
0 |
0.109 |
2 |
|
A |
155 |
40 |
24123 |
x |
A |
z-1/2,-x+1/2,-y+1 |
6_456 |
154 |
44 |
24123 |
1478.7 |
-12.2 |
0.302 |
19 |
7 |
0 |
0.109 |
Average: |
1479.2 |
-12.3 |
0.301 |
19 |
7 |
0 |
0.109 |
2 |
3 |
|
B |
123 |
38 |
23870 |
◊ |
A |
x,y,z |
1_555 |
124 |
39 |
24123 |
1209.4 |
-4.5 |
0.642 |
18 |
0 |
0 |
0.030 |
3 |
4 |
|
[HEC]A:1001 |
43 |
1 |
836 |
cf |
A |
x,y,z |
1_555 |
82 |
25 |
24123 |
570.7 |
-21.6 |
0.230 |
4 |
0 |
0 |
0.109 |
5 |
|
[HEC]B:1001 |
43 |
1 |
829 |
cf |
B |
x,y,z |
1_555 |
81 |
26 |
23870 |
542.0 |
-19.7 |
0.288 |
5 |
0 |
0 |
0.109 |
Average: |
556.4 |
-20.6 |
0.259 |
5 |
0 |
0 |
0.109 |
4 |
6 |
|
[HEC]A:1005 |
42 |
1 |
830 |
cf |
A |
x,y,z |
1_555 |
70 |
24 |
24123 |
536.3 |
-20.4 |
0.081 |
3 |
0 |
0 |
0.108 |
7 |
|
[HEC]B:1005 |
42 |
1 |
824 |
cf |
B |
x,y,z |
1_555 |
67 |
24 |
23870 |
528.7 |
-20.3 |
0.063 |
3 |
0 |
0 |
0.108 |
Average: |
532.5 |
-20.3 |
0.072 |
3 |
0 |
0 |
0.108 |
5 |
8 |
|
[HEC]A:1002 |
43 |
1 |
824 |
cf |
A |
x,y,z |
1_555 |
80 |
29 |
24123 |
529.7 |
-22.8 |
0.073 |
6 |
0 |
0 |
0.119 |
9 |
|
[HEC]B:1002 |
43 |
1 |
823 |
cf |
B |
x,y,z |
1_555 |
77 |
29 |
23870 |
520.3 |
-21.3 |
0.105 |
6 |
0 |
0 |
0.119 |
Average: |
525.0 |
-22.0 |
0.089 |
6 |
0 |
0 |
0.119 |
6 |
10 |
|
[HEC]B:1007 |
43 |
1 |
822 |
cf |
B |
x,y,z |
1_555 |
90 |
27 |
23870 |
515.3 |
-19.1 |
0.237 |
4 |
0 |
0 |
0.104 |
11 |
|
[HEC]A:1007 |
43 |
1 |
826 |
cf |
A |
x,y,z |
1_555 |
90 |
27 |
24123 |
497.7 |
-18.4 |
0.242 |
4 |
0 |
0 |
0.104 |
Average: |
506.5 |
-18.8 |
0.240 |
4 |
0 |
0 |
0.104 |
7 |
12 |
|
[HEC]B:1004 |
42 |
1 |
809 |
cf |
B |
x,y,z |
1_555 |
77 |
28 |
23870 |
510.6 |
-15.3 |
0.640 |
6 |
0 |
0 |
0.089 |
13 |
|
[HEC]A:1004 |
42 |
1 |
807 |
cf |
A |
x,y,z |
1_555 |
78 |
30 |
24123 |
509.7 |
-15.2 |
0.644 |
6 |
0 |
0 |
0.089 |
Average: |
510.1 |
-15.3 |
0.642 |
6 |
0 |
0 |
0.089 |
8 |
14 |
|
[HEC]A:1008 |
42 |
1 |
852 |
cf |
A |
x,y,z |
1_555 |
52 |
21 |
24123 |
497.3 |
-18.2 |
0.042 |
0 |
0 |
0 |
0.088 |
15 |
|
[HEC]B:1008 |
41 |
1 |
849 |
cf |
B |
x,y,z |
1_555 |
52 |
21 |
23870 |
483.8 |
-17.6 |
0.044 |
0 |
0 |
0 |
0.088 |
Average: |
490.5 |
-17.9 |
0.043 |
0 |
0 |
0 |
0.088 |
9 |
16 |
|
[HEC]A:1006 |
43 |
1 |
850 |
cf |
A |
x,y,z |
1_555 |
86 |
28 |
24123 |
492.8 |
-19.3 |
0.224 |
2 |
0 |
0 |
0.102 |
17 |
|
[HEC]B:1006 |
43 |
1 |
848 |
cf |
B |
x,y,z |
1_555 |
84 |
28 |
23870 |
490.8 |
-19.6 |
0.193 |
2 |
0 |
0 |
0.102 |
Average: |
491.8 |
-19.4 |
0.209 |
2 |
0 |
0 |
0.102 |
10 |
18 |
|
[HEC]A:1003 |
43 |
1 |
848 |
cf |
A |
x,y,z |
1_555 |
56 |
21 |
24123 |
461.1 |
-15.6 |
0.109 |
0 |
0 |
0 |
0.077 |
19 |
|
[HEC]B:1003 |
43 |
1 |
844 |
cf |
B |
x,y,z |
1_555 |
54 |
21 |
23870 |
459.8 |
-15.5 |
0.096 |
0 |
0 |
0 |
0.077 |
Average: |
460.5 |
-15.5 |
0.102 |
0 |
0 |
0 |
0.077 |
11 |
20 |
|
A |
39 |
11 |
24123 |
◊ |
B |
-z+1/2,-x,y+1/2 |
7_555 |
53 |
19 |
23870 |
399.0 |
1.3 |
0.816 |
6 |
4 |
0 |
0.000 |
12 |
21 |
|
B |
34 |
11 |
23870 |
x |
B |
-z+1/2,-x,y+1/2 |
7_555 |
31 |
10 |
23870 |
278.8 |
2.8 |
0.845 |
5 |
2 |
0 |
0.000 |
13 |
22 |
|
A |
17 |
5 |
24123 |
◊ |
B |
z-1/2,-x+1/2,-y+1 |
6_456 |
17 |
5 |
23870 |
164.7 |
-0.2 |
0.661 |
4 |
0 |
0 |
0.004 |
14 |
23 |
|
[PG4]A:528 |
9 |
1 |
297 |
◊ |
A |
x,y,z |
1_555 |
29 |
9 |
24123 |
159.8 |
5.0 |
0.140 |
1 |
0 |
0 |
0.000 |
15 |
24 |
|
[PG4]B:534 |
8 |
1 |
287 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
23870 |
157.4 |
4.1 |
0.198 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
[PG6]A:525 |
10 |
1 |
337 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
24123 |
157.2 |
4.2 |
0.260 |
4 |
0 |
0 |
0.000 |
26 |
|
[PG6]B:525 |
10 |
1 |
336 |
cf |
B |
x,y,z |
1_555 |
25 |
9 |
23870 |
149.9 |
4.9 |
0.282 |
0 |
0 |
0 |
0.000 |
Average: |
153.6 |
4.5 |
0.271 |
2 |
0 |
0 |
0.000 |
17 |
27 |
|
[PG6]A:524 |
7 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
24123 |
146.1 |
4.8 |
0.362 |
1 |
0 |
0 |
0.000 |
28 |
|
[PG6]B:524 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
23870 |
126.7 |
4.5 |
0.566 |
1 |
0 |
0 |
0.000 |
Average: |
136.4 |
4.7 |
0.464 |
1 |
0 |
0 |
0.000 |
18 |
29 |
|
[PG4]B:528 |
8 |
1 |
296 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
23870 |
139.9 |
4.3 |
0.264 |
1 |
0 |
0 |
0.000 |
19 |
30 |
|
[PG4]B:532 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
23870 |
138.2 |
4.6 |
0.500 |
1 |
0 |
0 |
0.000 |
20 |
31 |
|
[PG4]B:531 |
9 |
1 |
322 |
f |
B |
x,y,z |
1_555 |
21 |
6 |
23870 |
135.6 |
4.1 |
0.069 |
2 |
0 |
0 |
0.000 |
21 |
32 |
|
[HEC]A:1008 |
17 |
1 |
852 |
◊ |
A |
z-1/2,-x+1/2,-y+1 |
6_456 |
15 |
3 |
24123 |
135.0 |
-4.6 |
0.634 |
2 |
0 |
0 |
0.026 |
33 |
|
B |
14 |
3 |
23870 |
◊ |
[HEC]B:1008 |
z-1/2,-x+1/2,-y+1 |
6_456 |
17 |
1 |
849 |
133.4 |
-4.4 |
0.625 |
2 |
0 |
0 |
0.026 |
Average: |
134.2 |
-4.5 |
0.629 |
2 |
0 |
0 |
0.026 |
22 |
34 |
|
[PG4]A:531 |
9 |
1 |
329 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
24123 |
133.8 |
2.2 |
0.199 |
0 |
0 |
0 |
0.000 |
23 |
35 |
|
[PG4]B:529 |
9 |
1 |
326 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
23870 |
120.8 |
3.3 |
0.065 |
1 |
0 |
0 |
0.000 |
24 |
36 |
|
[PG4]B:530 |
8 |
1 |
296 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
23870 |
118.2 |
3.1 |
0.132 |
0 |
0 |
0 |
0.000 |
25 |
37 |
|
[HEC]B:1002 |
20 |
1 |
823 |
f |
[HEC]B:1001 |
x,y,z |
1_555 |
21 |
1 |
829 |
115.2 |
-4.1 |
0.998 |
0 |
0 |
0 |
0.051 |
38 |
|
[HEC]A:1002 |
19 |
1 |
824 |
f |
[HEC]A:1001 |
x,y,z |
1_555 |
19 |
1 |
836 |
102.3 |
-2.9 |
1.000 |
0 |
0 |
0 |
0.051 |
39 |
|
[HEC]A:1005 |
19 |
1 |
830 |
f |
[HEC]A:1003 |
x,y,z |
1_555 |
18 |
1 |
848 |
100.3 |
-2.9 |
1.000 |
0 |
0 |
0 |
0.051 |
40 |
|
[HEC]B:1005 |
19 |
1 |
824 |
f |
[HEC]B:1003 |
x,y,z |
1_555 |
18 |
1 |
844 |
98.3 |
-2.8 |
1.000 |
0 |
0 |
0 |
0.051 |
41 |
|
[HEC]B:1007 |
17 |
1 |
822 |
f |
[HEC]B:1006 |
x,y,z |
1_555 |
20 |
1 |
848 |
92.4 |
-3.2 |
0.996 |
0 |
0 |
0 |
0.051 |
42 |
|
[HEC]A:1007 |
15 |
1 |
826 |
f |
[HEC]A:1006 |
x,y,z |
1_555 |
19 |
1 |
850 |
92.2 |
-3.2 |
0.989 |
0 |
0 |
0 |
0.051 |
Average: |
100.1 |
-3.2 |
0.997 |
0 |
0 |
0 |
0.051 |
26 |
43 |
|
[PG4]A:533 |
5 |
1 |
251 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
24123 |
111.0 |
4.9 |
0.360 |
1 |
0 |
0 |
0.000 |
27 |
44 |
|
[HEC]A:1003 |
12 |
1 |
848 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
23870 |
110.9 |
-3.8 |
0.245 |
0 |
0 |
0 |
0.018 |
45 |
|
[HEC]B:1003 |
11 |
1 |
844 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
24123 |
106.9 |
-3.5 |
0.283 |
0 |
0 |
0 |
0.018 |
Average: |
108.9 |
-3.7 |
0.264 |
0 |
0 |
0 |
0.018 |
28 |
46 |
|
[PG4]B:4 |
7 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
23870 |
106.4 |
3.0 |
0.046 |
2 |
0 |
0 |
0.000 |
29 |
47 |
|
[PG4]B:529 |
8 |
1 |
326 |
◊ |
B |
z-1/2,-x+1/2,-y+1 |
6_456 |
13 |
5 |
23870 |
105.8 |
3.6 |
0.064 |
1 |
0 |
0 |
0.000 |
30 |
48 |
|
[PG4]A:4 |
6 |
1 |
244 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
24123 |
98.8 |
3.2 |
0.212 |
2 |
0 |
0 |
0.000 |
31 |
49 |
|
[PG4]B:533 |
7 |
1 |
283 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
23870 |
95.0 |
2.9 |
0.100 |
0 |
0 |
0 |
0.000 |
32 |
50 |
|
[HEC]A:1006 |
17 |
1 |
850 |
f |
[HEC]A:1004 |
x,y,z |
1_555 |
18 |
1 |
807 |
94.3 |
-3.7 |
0.994 |
0 |
0 |
0 |
0.018 |
51 |
|
[HEC]B:1006 |
16 |
1 |
848 |
f |
[HEC]B:1004 |
x,y,z |
1_555 |
18 |
1 |
809 |
93.9 |
-3.6 |
0.993 |
0 |
0 |
0 |
0.018 |
Average: |
94.1 |
-3.6 |
0.994 |
0 |
0 |
0 |
0.018 |
33 |
52 |
|
[PO4]A:1 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
24123 |
93.4 |
-4.6 |
0.825 |
4 |
0 |
0 |
0.028 |
34 |
53 |
|
[PO4]B:1 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
23870 |
92.6 |
-4.6 |
0.826 |
4 |
0 |
0 |
0.032 |
35 |
54 |
|
[PG4]A:529 |
7 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
24123 |
91.2 |
1.6 |
0.014 |
0 |
0 |
0 |
0.000 |
36 |
55 |
|
[PG4]A:530 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
24123 |
85.3 |
2.2 |
0.189 |
1 |
0 |
0 |
0.000 |
37 |
56 |
|
[PG4]A:526 |
6 |
1 |
246 |
f |
A |
x,y,z |
1_555 |
14 |
3 |
24123 |
85.0 |
2.8 |
0.149 |
0 |
0 |
0 |
0.000 |
38 |
57 |
|
[PG4]A:532 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
24123 |
82.1 |
2.5 |
0.202 |
0 |
0 |
0 |
0.000 |
39 |
58 |
|
[PO4]B:527 |
5 |
1 |
189 |
fx |
[PO4]B:527 |
z-1/2,-x+1/2,-y+1 |
6_456 |
5 |
1 |
189 |
80.5 |
-7.6 |
0.942 |
0 |
0 |
0 |
0.100 |
40 |
59 |
|
[PG4]B:530 |
7 |
1 |
296 |
f |
[HEC]B:1008 |
x,y,z |
1_555 |
4 |
1 |
849 |
79.3 |
0.8 |
0.073 |
0 |
0 |
0 |
0.000 |
41 |
60 |
|
[PG6]B:526 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
14 |
3 |
23870 |
75.4 |
2.3 |
0.158 |
0 |
0 |
0 |
0.000 |
42 |
61 |
|
[HEC]B:1008 |
14 |
1 |
849 |
f |
[HEC]B:1007 |
x,y,z |
1_555 |
4 |
1 |
822 |
70.4 |
-2.4 |
0.780 |
0 |
0 |
0 |
0.012 |
62 |
|
[HEC]A:1008 |
15 |
1 |
852 |
f |
[HEC]A:1007 |
x,y,z |
1_555 |
4 |
1 |
826 |
70.0 |
-2.4 |
0.779 |
0 |
0 |
0 |
0.012 |
Average: |
70.2 |
-2.4 |
0.779 |
0 |
0 |
0 |
0.012 |
43 |
63 |
|
A |
9 |
3 |
24123 |
◊ |
[PG6]A:524 |
z-1/2,-x+1/2,-y+1 |
6_456 |
6 |
1 |
259 |
64.9 |
2.7 |
0.096 |
0 |
0 |
0 |
0.000 |
64 |
|
[PG6]B:524 |
5 |
1 |
219 |
◊ |
B |
z-1/2,-x+1/2,-y+1 |
6_456 |
8 |
3 |
23870 |
52.8 |
2.1 |
0.126 |
0 |
0 |
0 |
0.000 |
Average: |
58.8 |
2.4 |
0.111 |
0 |
0 |
0 |
0.000 |
44 |
65 |
|
[HEC]B:1003 |
5 |
1 |
844 |
◊ |
[HEC]A:1003 |
x,y,z |
1_555 |
5 |
1 |
848 |
64.5 |
-2.1 |
0.770 |
0 |
0 |
0 |
0.005 |
45 |
66 |
|
[HEC]B:1001 |
3 |
1 |
829 |
◊ |
B |
-z+1/2,-x,y+1/2 |
7_555 |
10 |
3 |
23870 |
62.2 |
-0.4 |
0.652 |
0 |
0 |
0 |
0.000 |
46 |
67 |
|
[PO4]A:1 |
5 |
1 |
188 |
f |
[HEC]A:1004 |
x,y,z |
1_555 |
24 |
1 |
807 |
61.9 |
-5.0 |
0.971 |
0 |
0 |
0 |
0.022 |
47 |
68 |
|
[PO4]B:1 |
5 |
1 |
188 |
f |
[HEC]B:1004 |
x,y,z |
1_555 |
25 |
1 |
809 |
61.6 |
-5.0 |
0.971 |
0 |
0 |
0 |
0.025 |
48 |
69 |
|
[NA]A:535 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
24123 |
59.9 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.035 |
49 |
70 |
|
[PG4]A:528 |
3 |
1 |
297 |
f |
A |
z-1/2,-x+1/2,-y+1 |
6_456 |
4 |
2 |
24123 |
55.8 |
0.9 |
0.126 |
0 |
0 |
0 |
0.000 |
50 |
71 |
|
[HEC]A:1006 |
5 |
1 |
850 |
f |
[HEC]A:1005 |
x,y,z |
1_555 |
5 |
1 |
830 |
55.6 |
-1.8 |
0.809 |
0 |
0 |
0 |
0.009 |
72 |
|
[HEC]B:1006 |
4 |
1 |
848 |
f |
[HEC]B:1005 |
x,y,z |
1_555 |
5 |
1 |
824 |
54.8 |
-1.8 |
0.768 |
0 |
0 |
0 |
0.009 |
Average: |
55.2 |
-1.8 |
0.788 |
0 |
0 |
0 |
0.009 |
51 |
73 |
|
[HEC]A:1003 |
8 |
1 |
848 |
f |
[HEC]A:1002 |
x,y,z |
1_555 |
5 |
1 |
824 |
55.1 |
-1.7 |
0.872 |
0 |
0 |
0 |
0.008 |
74 |
|
[HEC]B:1003 |
8 |
1 |
844 |
f |
[HEC]B:1002 |
x,y,z |
1_555 |
5 |
1 |
823 |
54.0 |
-1.7 |
0.875 |
0 |
0 |
0 |
0.008 |
Average: |
54.5 |
-1.7 |
0.873 |
0 |
0 |
0 |
0.008 |
52 |
75 |
|
[PG4]A:530 |
5 |
1 |
220 |
f |
[HEC]A:1008 |
x,y,z |
1_555 |
4 |
1 |
852 |
45.6 |
0.2 |
0.071 |
0 |
0 |
0 |
0.000 |
53 |
76 |
|
[CA]A:2 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
24123 |
44.7 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.064 |
77 |
|
[CA]B:2 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
23870 |
44.7 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.064 |
Average: |
44.7 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.064 |
54 |
78 |
|
A |
5 |
3 |
24123 |
f |
[PO4]A:527 |
z-1/2,-x+1/2,-y+1 |
6_456 |
4 |
1 |
190 |
41.9 |
-1.9 |
0.867 |
0 |
0 |
0 |
0.008 |
55 |
79 |
|
[HEC]A:1001 |
3 |
1 |
836 |
◊ |
B |
-z+1/2,-x,y+1/2 |
7_555 |
5 |
3 |
23870 |
41.8 |
-0.8 |
0.625 |
0 |
0 |
0 |
0.000 |
56 |
80 |
|
[PO4]B:527 |
4 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
23870 |
41.8 |
-1.8 |
0.857 |
0 |
0 |
0 |
0.008 |
57 |
81 |
|
[PO4]A:527 |
4 |
1 |
190 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
24123 |
41.3 |
-1.9 |
0.867 |
0 |
0 |
0 |
0.008 |
58 |
82 |
|
[PO4]A:527 |
4 |
1 |
190 |
◊ |
A |
z-1/2,-x+1/2,-y+1 |
6_456 |
5 |
3 |
24123 |
40.6 |
-1.8 |
0.862 |
0 |
0 |
0 |
0.008 |
59 |
83 |
|
[PG4]A:533 |
5 |
1 |
251 |
f |
[HEC]A:1007 |
x,y,z |
1_555 |
5 |
1 |
826 |
40.5 |
-0.7 |
0.046 |
0 |
0 |
0 |
0.003 |
60 |
84 |
|
B |
5 |
3 |
23870 |
◊ |
[PO4]B:527 |
z-1/2,-x+1/2,-y+1 |
6_456 |
4 |
1 |
189 |
40.2 |
-1.7 |
0.865 |
0 |
0 |
0 |
0.008 |
61 |
85 |
|
[NA]A:534 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
24123 |
40.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.019 |
62 |
86 |
|
B |
3 |
1 |
23870 |
f |
[PG4]B:528 |
z-1/2,-x+1/2,-y+1 |
6_456 |
4 |
1 |
296 |
38.8 |
1.0 |
0.137 |
0 |
0 |
0 |
0.000 |
63 |
87 |
|
[PO4]B:527 |
4 |
1 |
189 |
◊ |
B |
z-1/2,-x+1/2,-y+1 |
6_456 |
5 |
3 |
23870 |
35.7 |
-1.5 |
0.859 |
0 |
0 |
0 |
0.007 |
64 |
88 |
|
[CA]B:3 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
23870 |
34.6 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.034 |
89 |
|
[CA]A:3 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
24123 |
34.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
34.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.034 |
65 |
90 |
|
[NA]A:534 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
23870 |
22.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.006 |
66 |
91 |
|
[NA]A:534 |
1 |
1 |
125 |
◊ |
B |
z-1/2,-x+1/2,-y+1 |
6_456 |
2 |
2 |
23870 |
21.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.004 |
67 |
92 |
|
[CA]B:3 |
1 |
1 |
85 |
f |
[HEC]B:1006 |
x,y,z |
1_555 |
3 |
1 |
848 |
21.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.037 |
93 |
|
[CA]A:3 |
1 |
1 |
85 |
f |
[HEC]A:1006 |
x,y,z |
1_555 |
3 |
1 |
850 |
20.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.037 |
94 |
|
[CA]A:3 |
1 |
1 |
85 |
f |
[HEC]A:1007 |
x,y,z |
1_555 |
3 |
1 |
826 |
15.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.037 |
95 |
|
[CA]B:3 |
1 |
1 |
85 |
f |
[HEC]B:1007 |
x,y,z |
1_555 |
3 |
1 |
822 |
15.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
18.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.037 |
68 |
96 |
|
[PG4]A:533 |
2 |
1 |
251 |
◊ |
[PG4]A:528 |
x,y,z |
1_555 |
3 |
1 |
297 |
19.4 |
0.9 |
0.030 |
0 |
0 |
0 |
0.000 |
69 |
97 |
|
[PG4]B:531 |
2 |
1 |
322 |
f |
[HEC]B:1005 |
x,y,z |
1_555 |
3 |
1 |
824 |
17.8 |
-0.3 |
0.165 |
0 |
0 |
0 |
0.002 |
70 |
98 |
|
[HEC]B:1007 |
1 |
1 |
822 |
f |
[HEC]B:1004 |
x,y,z |
1_555 |
2 |
1 |
809 |
11.2 |
-0.4 |
0.655 |
0 |
0 |
0 |
0.002 |
99 |
|
[HEC]A:1007 |
1 |
1 |
826 |
f |
[HEC]A:1004 |
x,y,z |
1_555 |
2 |
1 |
807 |
10.8 |
-0.3 |
0.655 |
0 |
0 |
0 |
0.002 |
Average: |
11.0 |
-0.4 |
0.655 |
0 |
0 |
0 |
0.002 |
71 |
100 |
|
[HEC]A:1008 |
3 |
1 |
852 |
◊ |
[PG6]A:524 |
z-1/2,-x+1/2,-y+1 |
6_456 |
2 |
1 |
259 |
10.3 |
-0.2 |
0.125 |
0 |
0 |
0 |
0.000 |
101 |
|
[PG6]B:524 |
1 |
1 |
219 |
◊ |
[HEC]B:1008 |
z-1/2,-x+1/2,-y+1 |
6_456 |
2 |
1 |
849 |
5.8 |
-0.1 |
0.371 |
0 |
0 |
0 |
0.000 |
Average: |
8.1 |
-0.1 |
0.248 |
0 |
0 |
0 |
0.001 |
72 |
102 |
|
[PG6]B:525 |
1 |
1 |
336 |
f |
[PG4]B:532 |
x,y,z |
1_555 |
2 |
1 |
217 |
7.7 |
0.5 |
0.548 |
0 |
0 |
0 |
0.000 |
73 |
103 |
|
[PG6]B:526 |
1 |
1 |
219 |
f |
[PG4]B:534 |
x,y,z |
1_555 |
1 |
1 |
287 |
5.0 |
0.3 |
0.274 |
0 |
0 |
0 |
0.000 |
|