## |
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 |
|
J |
177 |
52 |
13888 |
◊ |
I |
x,y,z |
1_555 |
156 |
40 |
11196 |
1608.5 |
-15.4 |
0.295 |
21 |
0 |
0 |
1.000 |
2 |
|
N |
178 |
52 |
13887 |
◊ |
M |
x,y,z |
1_555 |
154 |
39 |
11204 |
1608.2 |
-15.3 |
0.293 |
21 |
0 |
0 |
1.000 |
3 |
|
P |
174 |
52 |
13879 |
◊ |
O |
x,y,z |
1_555 |
157 |
40 |
11197 |
1606.2 |
-15.3 |
0.290 |
21 |
0 |
0 |
1.000 |
4 |
|
L |
175 |
52 |
13877 |
◊ |
K |
x,y,z |
1_555 |
155 |
39 |
11202 |
1605.2 |
-15.4 |
0.290 |
21 |
0 |
0 |
1.000 |
5 |
|
B |
165 |
52 |
13895 |
◊ |
A |
x,y,z |
1_555 |
160 |
44 |
11341 |
1578.4 |
-17.1 |
0.219 |
28 |
2 |
0 |
1.000 |
6 |
|
D |
168 |
52 |
13910 |
◊ |
C |
x,y,z |
1_555 |
159 |
45 |
11338 |
1576.9 |
-16.9 |
0.223 |
27 |
2 |
0 |
1.000 |
7 |
|
H |
167 |
51 |
13907 |
◊ |
G |
x,y,z |
1_555 |
160 |
45 |
11331 |
1576.4 |
-16.9 |
0.223 |
28 |
2 |
0 |
1.000 |
8 |
|
F |
168 |
52 |
13909 |
◊ |
E |
x,y,z |
1_555 |
159 |
45 |
11332 |
1574.2 |
-16.9 |
0.224 |
27 |
2 |
0 |
1.000 |
Average: |
1591.8 |
-16.2 |
0.257 |
24 |
1 |
0 |
1.000 |
2 |
9 |
|
J |
88 |
28 |
13888 |
◊ |
J |
-x,y,-z+2 |
2_557 |
89 |
29 |
13888 |
797.0 |
-3.4 |
0.734 |
10 |
0 |
0 |
0.112 |
10 |
|
P |
87 |
28 |
13879 |
◊ |
L |
-x+1,y-1,-z+1 |
2_646 |
87 |
28 |
13877 |
784.7 |
-3.4 |
0.731 |
10 |
0 |
0 |
0.112 |
11 |
|
N |
87 |
27 |
13887 |
◊ |
N |
-x+2,y,-z+1 |
2_756 |
87 |
27 |
13887 |
784.3 |
-3.4 |
0.732 |
10 |
0 |
0 |
0.112 |
Average: |
788.7 |
-3.4 |
0.733 |
10 |
0 |
0 |
0.112 |
3 |
12 |
|
J |
80 |
26 |
13888 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
74 |
23 |
13910 |
738.4 |
-9.8 |
0.212 |
9 |
0 |
0 |
0.169 |
13 |
|
P |
77 |
26 |
13879 |
◊ |
B |
x,y,z |
1_555 |
74 |
23 |
13895 |
737.8 |
-9.8 |
0.201 |
9 |
0 |
0 |
0.169 |
14 |
|
F |
73 |
23 |
13909 |
◊ |
N |
x-1/2,y+1/2,z |
3_455 |
79 |
26 |
13887 |
736.8 |
-9.8 |
0.203 |
9 |
0 |
0 |
0.169 |
15 |
|
L |
77 |
26 |
13877 |
◊ |
H |
x,y,z |
1_555 |
74 |
23 |
13907 |
734.8 |
-9.7 |
0.206 |
9 |
0 |
0 |
0.169 |
Average: |
737.0 |
-9.8 |
0.206 |
9 |
0 |
0 |
0.169 |
4 |
16 |
|
C |
60 |
20 |
11338 |
◊ |
C |
-x+1,y,-z+2 |
2_657 |
60 |
20 |
11338 |
714.6 |
-8.4 |
0.173 |
4 |
0 |
0 |
0.062 |
17 |
|
A |
60 |
20 |
11341 |
◊ |
G |
-x+1,y-1,-z+1 |
2_646 |
60 |
20 |
11331 |
714.4 |
-8.3 |
0.180 |
4 |
0 |
0 |
0.062 |
18 |
|
E |
61 |
21 |
11332 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
59 |
20 |
11332 |
710.9 |
-8.2 |
0.183 |
4 |
0 |
0 |
0.062 |
Average: |
713.3 |
-8.3 |
0.179 |
4 |
0 |
0 |
0.062 |
5 |
19 |
|
I |
56 |
17 |
11196 |
◊ |
I |
-x,y,-z+2 |
2_557 |
56 |
17 |
11196 |
588.0 |
-11.6 |
0.035 |
2 |
0 |
0 |
0.177 |
20 |
|
O |
56 |
16 |
11197 |
◊ |
K |
-x+1,y-1,-z+1 |
2_646 |
56 |
16 |
11202 |
577.9 |
-11.4 |
0.036 |
2 |
0 |
0 |
0.177 |
21 |
|
M |
56 |
16 |
11204 |
◊ |
M |
-x+2,y,-z+1 |
2_756 |
55 |
16 |
11204 |
577.8 |
-11.5 |
0.035 |
2 |
0 |
0 |
0.177 |
Average: |
581.2 |
-11.5 |
0.035 |
2 |
0 |
0 |
0.177 |
6 |
22 |
|
B |
45 |
12 |
13895 |
◊ |
D |
-x+1,y-1,-z+1 |
2_646 |
39 |
13 |
13910 |
389.3 |
-0.6 |
0.780 |
6 |
0 |
0 |
0.000 |
23 |
|
B |
39 |
13 |
13895 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
47 |
12 |
13910 |
387.9 |
-0.6 |
0.785 |
6 |
0 |
0 |
0.000 |
24 |
|
F |
39 |
13 |
13909 |
◊ |
H |
-x+1,y-1,-z+1 |
2_646 |
46 |
12 |
13907 |
386.6 |
-0.6 |
0.782 |
6 |
0 |
0 |
0.000 |
25 |
|
F |
47 |
12 |
13909 |
◊ |
H |
-x+3/2,y-1/2,-z+1 |
4_646 |
39 |
13 |
13907 |
386.6 |
-0.5 |
0.787 |
6 |
0 |
0 |
0.000 |
26 |
|
P |
39 |
15 |
13879 |
◊ |
J |
-x+1,y-1,-z+1 |
2_646 |
36 |
10 |
13888 |
350.5 |
-0.4 |
0.762 |
6 |
0 |
0 |
0.000 |
27 |
|
N |
36 |
10 |
13887 |
◊ |
L |
-x+1,y-1,-z+1 |
2_646 |
39 |
15 |
13877 |
350.2 |
-1.4 |
0.623 |
5 |
0 |
0 |
0.000 |
28 |
|
N |
40 |
15 |
13887 |
◊ |
L |
-x+3/2,y-1/2,-z+1 |
4_646 |
36 |
10 |
13877 |
349.9 |
-0.3 |
0.770 |
5 |
0 |
0 |
0.000 |
29 |
|
P |
36 |
10 |
13879 |
◊ |
J |
-x+1/2,y-1/2,-z+1 |
4_546 |
41 |
15 |
13888 |
348.1 |
-0.3 |
0.772 |
5 |
0 |
0 |
0.000 |
Average: |
368.6 |
-0.6 |
0.758 |
6 |
0 |
0 |
0.000 |
7 |
30 |
|
B |
35 |
9 |
13895 |
◊ |
D |
x,y-1,z-1 |
1_544 |
38 |
11 |
13910 |
346.2 |
-3.9 |
0.343 |
2 |
0 |
0 |
0.000 |
31 |
|
D |
35 |
9 |
13910 |
◊ |
H |
x-1/2,y-1/2,z |
3_445 |
38 |
11 |
13907 |
344.8 |
-3.9 |
0.350 |
2 |
0 |
0 |
0.000 |
32 |
|
F |
38 |
11 |
13909 |
◊ |
H |
x,y-1,z |
1_545 |
35 |
9 |
13907 |
344.3 |
-3.9 |
0.347 |
2 |
0 |
0 |
0.000 |
33 |
|
B |
39 |
11 |
13895 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
35 |
9 |
13909 |
343.9 |
-3.8 |
0.357 |
2 |
0 |
0 |
0.000 |
Average: |
344.8 |
-3.9 |
0.349 |
2 |
0 |
0 |
0.000 |
8 |
34 |
|
[MMA]H:603 |
13 |
1 |
333 |
◊ |
H |
x,y,z |
1_555 |
32 |
12 |
13907 |
212.3 |
3.2 |
0.443 |
5 |
0 |
0 |
0.000 |
35 |
|
[MMA]B:500 |
13 |
1 |
332 |
◊ |
B |
x,y,z |
1_555 |
33 |
12 |
13895 |
211.9 |
3.2 |
0.444 |
5 |
0 |
0 |
0.000 |
36 |
|
[MMA]D:601 |
13 |
1 |
332 |
◊ |
D |
x,y,z |
1_555 |
33 |
13 |
13910 |
211.6 |
3.0 |
0.431 |
5 |
0 |
0 |
0.000 |
37 |
|
[MMA]F:502 |
13 |
1 |
331 |
◊ |
F |
x,y,z |
1_555 |
31 |
12 |
13909 |
211.4 |
3.1 |
0.423 |
5 |
0 |
0 |
0.000 |
38 |
|
[MMA]P:607 |
13 |
1 |
334 |
◊ |
P |
x,y,z |
1_555 |
26 |
12 |
13879 |
196.7 |
3.8 |
0.459 |
7 |
0 |
0 |
0.000 |
Average: |
208.8 |
3.3 |
0.440 |
5 |
0 |
0 |
0.000 |
9 |
39 |
|
J |
22 |
6 |
13888 |
◊ |
I |
-x,y,-z+2 |
2_557 |
17 |
7 |
11196 |
201.3 |
0.2 |
0.654 |
1 |
0 |
0 |
0.007 |
40 |
|
N |
20 |
6 |
13887 |
◊ |
M |
-x+2,y,-z+1 |
2_756 |
17 |
7 |
11204 |
198.7 |
0.2 |
0.632 |
1 |
0 |
0 |
0.007 |
41 |
|
O |
17 |
7 |
11197 |
◊ |
L |
-x+1,y-1,-z+1 |
2_646 |
20 |
6 |
13877 |
197.9 |
0.2 |
0.638 |
1 |
0 |
0 |
0.007 |
42 |
|
P |
20 |
6 |
13879 |
◊ |
K |
-x+1,y-1,-z+1 |
2_646 |
17 |
7 |
11202 |
197.8 |
0.2 |
0.638 |
1 |
0 |
0 |
0.007 |
Average: |
198.9 |
0.2 |
0.640 |
1 |
0 |
0 |
0.007 |
10 |
43 |
|
[MMA]L:504 |
13 |
1 |
331 |
◊ |
L |
x,y,z |
1_555 |
26 |
13 |
13877 |
198.1 |
3.8 |
0.494 |
8 |
0 |
0 |
0.000 |
11 |
44 |
|
[MMA]J:605 |
13 |
1 |
333 |
◊ |
J |
x,y,z |
1_555 |
26 |
12 |
13888 |
197.2 |
3.6 |
0.476 |
5 |
0 |
0 |
0.000 |
45 |
|
[MMA]N:506 |
13 |
1 |
332 |
◊ |
N |
x,y,z |
1_555 |
28 |
14 |
13887 |
196.5 |
3.8 |
0.502 |
7 |
0 |
0 |
0.000 |
Average: |
196.8 |
3.7 |
0.489 |
6 |
0 |
0 |
0.000 |
12 |
46 |
|
P |
17 |
6 |
13879 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
20 |
6 |
11338 |
186.4 |
-0.5 |
0.556 |
1 |
0 |
0 |
0.000 |
47 |
|
E |
19 |
5 |
11332 |
◊ |
L |
-x+3/2,y-1/2,-z+1 |
4_646 |
17 |
6 |
13877 |
185.2 |
-0.5 |
0.559 |
1 |
0 |
0 |
0.000 |
48 |
|
N |
18 |
6 |
13887 |
◊ |
G |
-x+3/2,y-3/2,-z+1 |
4_636 |
19 |
6 |
11331 |
184.7 |
-0.5 |
0.570 |
1 |
0 |
0 |
0.000 |
49 |
|
A |
18 |
5 |
11341 |
◊ |
J |
-x+1/2,y-3/2,-z+1 |
4_536 |
19 |
6 |
13888 |
184.6 |
-0.5 |
0.587 |
1 |
0 |
0 |
0.000 |
50 |
|
D |
11 |
5 |
13910 |
◊ |
O |
-x+1,y,-z+1 |
2_656 |
14 |
3 |
11197 |
127.1 |
-1.5 |
0.399 |
0 |
0 |
0 |
0.000 |
51 |
|
F |
12 |
5 |
13909 |
◊ |
K |
-x+1,y,-z+1 |
2_656 |
14 |
3 |
11202 |
126.4 |
-1.5 |
0.413 |
0 |
0 |
0 |
0.000 |
52 |
|
M |
14 |
3 |
11204 |
◊ |
H |
-x+1,y-1,-z+1 |
2_646 |
11 |
5 |
13907 |
125.7 |
-1.5 |
0.403 |
0 |
0 |
0 |
0.000 |
53 |
|
B |
11 |
5 |
13895 |
◊ |
I |
-x+1,y-1,-z+1 |
2_646 |
14 |
3 |
11196 |
125.6 |
-1.5 |
0.406 |
0 |
0 |
0 |
0.000 |
Average: |
155.7 |
-1.0 |
0.487 |
1 |
0 |
0 |
0.000 |
13 |
54 |
|
J |
18 |
5 |
13888 |
◊ |
G |
x-1/2,y+1/2,z |
3_455 |
19 |
5 |
11331 |
183.5 |
-2.9 |
0.214 |
1 |
0 |
0 |
0.000 |
55 |
|
A |
18 |
5 |
11341 |
◊ |
N |
x-1/2,y+1/2,z |
3_455 |
17 |
5 |
13887 |
182.4 |
-2.9 |
0.204 |
1 |
0 |
0 |
0.000 |
56 |
|
E |
19 |
5 |
11332 |
◊ |
L |
x-1/2,y-1/2,z |
3_445 |
19 |
5 |
13877 |
182.2 |
-2.9 |
0.230 |
1 |
0 |
0 |
0.000 |
57 |
|
P |
19 |
5 |
13879 |
◊ |
C |
x-1/2,y-1/2,z-1 |
3_444 |
18 |
5 |
11338 |
180.8 |
-2.9 |
0.212 |
1 |
0 |
0 |
0.000 |
Average: |
182.2 |
-2.9 |
0.215 |
1 |
0 |
0 |
0.000 |
14 |
58 |
|
F |
25 |
12 |
13909 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
25 |
12 |
13910 |
179.9 |
-0.8 |
0.682 |
0 |
0 |
0 |
0.000 |
59 |
|
B |
24 |
12 |
13895 |
◊ |
B |
-x+1,y,-z |
2_655 |
25 |
12 |
13895 |
179.8 |
-0.8 |
0.675 |
0 |
0 |
0 |
0.000 |
60 |
|
H |
24 |
12 |
13907 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
23 |
12 |
13907 |
172.4 |
-0.8 |
0.669 |
0 |
0 |
0 |
0.000 |
Average: |
177.4 |
-0.8 |
0.675 |
0 |
0 |
0 |
0.000 |
15 |
61 |
|
N |
19 |
7 |
13887 |
◊ |
K |
-x+1,y-1,-z+1 |
2_646 |
20 |
8 |
11202 |
175.4 |
-0.7 |
0.479 |
1 |
0 |
0 |
0.000 |
62 |
|
M |
19 |
8 |
11204 |
◊ |
L |
-x+3/2,y-1/2,-z+1 |
4_646 |
19 |
7 |
13877 |
174.0 |
-0.7 |
0.485 |
1 |
0 |
0 |
0.000 |
63 |
|
P |
19 |
7 |
13879 |
◊ |
I |
-x+1/2,y-1/2,-z+1 |
4_546 |
19 |
8 |
11196 |
173.7 |
-0.7 |
0.484 |
1 |
0 |
0 |
0.000 |
64 |
|
O |
20 |
8 |
11197 |
◊ |
J |
-x+1,y-1,-z+1 |
2_646 |
19 |
7 |
13888 |
172.6 |
-0.7 |
0.488 |
1 |
0 |
0 |
0.000 |
65 |
|
A |
20 |
7 |
11341 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
19 |
9 |
13910 |
169.8 |
-0.0 |
0.575 |
3 |
0 |
0 |
0.000 |
66 |
|
F |
19 |
9 |
13909 |
◊ |
G |
-x+3/2,y-1/2,-z+1 |
4_646 |
19 |
7 |
11331 |
167.8 |
-0.0 |
0.578 |
3 |
0 |
0 |
0.000 |
67 |
|
B |
20 |
9 |
13895 |
◊ |
C |
-x+1,y-1,-z+1 |
2_646 |
20 |
7 |
11338 |
167.4 |
0.0 |
0.597 |
3 |
0 |
0 |
0.000 |
68 |
|
E |
19 |
7 |
11332 |
◊ |
H |
-x+1,y-1,-z+1 |
2_646 |
18 |
9 |
13907 |
167.3 |
-0.0 |
0.569 |
3 |
0 |
0 |
0.000 |
Average: |
171.0 |
-0.4 |
0.532 |
2 |
0 |
0 |
0.000 |
16 |
69 |
|
D |
19 |
5 |
13910 |
◊ |
I |
-x+1,y,-z+2 |
2_657 |
24 |
5 |
11196 |
168.4 |
-1.1 |
0.584 |
0 |
0 |
0 |
0.000 |
70 |
|
F |
20 |
5 |
13909 |
◊ |
M |
-x+1,y,-z+1 |
2_656 |
24 |
5 |
11204 |
167.8 |
-1.1 |
0.588 |
0 |
0 |
0 |
0.000 |
71 |
|
B |
19 |
5 |
13895 |
◊ |
K |
-x+1/2,y-1/2,-z+1 |
4_546 |
24 |
5 |
11202 |
167.0 |
-1.0 |
0.592 |
0 |
0 |
0 |
0.000 |
72 |
|
O |
24 |
5 |
11197 |
◊ |
H |
-x+3/2,y-1/2,-z+1 |
4_646 |
18 |
5 |
13907 |
166.7 |
-1.0 |
0.585 |
0 |
0 |
0 |
0.000 |
Average: |
167.5 |
-1.1 |
0.587 |
0 |
0 |
0 |
0.000 |
17 |
73 |
|
J |
15 |
6 |
13888 |
◊ |
P |
x-1/2,y+1/2,z+1 |
3_456 |
19 |
9 |
13879 |
162.0 |
1.2 |
0.863 |
3 |
0 |
0 |
0.000 |
74 |
|
L |
19 |
9 |
13877 |
◊ |
N |
x-1/2,y+1/2,z |
3_455 |
15 |
6 |
13887 |
161.1 |
1.2 |
0.860 |
3 |
0 |
0 |
0.000 |
75 |
|
L |
15 |
6 |
13877 |
◊ |
J |
x,y,z |
1_555 |
19 |
9 |
13888 |
160.0 |
1.3 |
0.864 |
3 |
0 |
0 |
0.000 |
76 |
|
P |
15 |
6 |
13879 |
◊ |
N |
x,y,z |
1_555 |
19 |
9 |
13887 |
159.4 |
1.2 |
0.862 |
3 |
0 |
0 |
0.000 |
Average: |
160.6 |
1.2 |
0.862 |
3 |
0 |
0 |
0.000 |
18 |
77 |
|
J |
17 |
5 |
13888 |
◊ |
H |
x-1/2,y+1/2,z |
3_455 |
14 |
3 |
13907 |
120.3 |
-1.6 |
0.384 |
0 |
0 |
0 |
0.000 |
78 |
|
B |
14 |
3 |
13895 |
◊ |
N |
x-1/2,y+1/2,z |
3_455 |
18 |
5 |
13887 |
118.8 |
-1.6 |
0.388 |
0 |
0 |
0 |
0.000 |
79 |
|
F |
14 |
3 |
13909 |
◊ |
L |
x-1/2,y-1/2,z |
3_445 |
19 |
5 |
13877 |
117.9 |
-1.6 |
0.399 |
0 |
0 |
0 |
0.000 |
80 |
|
P |
18 |
5 |
13879 |
◊ |
D |
x-1/2,y-1/2,z-1 |
3_444 |
14 |
3 |
13910 |
117.0 |
-1.6 |
0.394 |
0 |
0 |
0 |
0.000 |
Average: |
118.5 |
-1.6 |
0.391 |
0 |
0 |
0 |
0.000 |
19 |
81 |
|
O |
9 |
4 |
11197 |
◊ |
C |
-x+1,y-1,-z+1 |
2_646 |
10 |
4 |
11338 |
107.6 |
0.7 |
0.672 |
1 |
0 |
0 |
0.000 |
82 |
|
E |
11 |
4 |
11332 |
◊ |
K |
-x+1,y-1,-z+1 |
2_646 |
9 |
4 |
11202 |
107.2 |
0.7 |
0.682 |
1 |
0 |
0 |
0.000 |
83 |
|
M |
9 |
4 |
11204 |
◊ |
G |
-x+2,y-1,-z+1 |
2_746 |
10 |
4 |
11331 |
107.2 |
0.7 |
0.668 |
1 |
0 |
0 |
0.000 |
84 |
|
A |
11 |
4 |
11341 |
◊ |
I |
-x,y-1,-z+1 |
2_546 |
9 |
4 |
11196 |
106.4 |
0.7 |
0.683 |
1 |
0 |
0 |
0.000 |
85 |
|
E |
5 |
2 |
11332 |
◊ |
K |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
3 |
11202 |
43.5 |
0.3 |
0.726 |
0 |
0 |
0 |
0.000 |
86 |
|
O |
7 |
3 |
11197 |
◊ |
C |
-x+3/2,y-1/2,-z+1 |
4_646 |
5 |
2 |
11338 |
43.5 |
0.3 |
0.727 |
0 |
0 |
0 |
0.000 |
87 |
|
A |
5 |
2 |
11341 |
◊ |
I |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
3 |
11196 |
43.2 |
0.3 |
0.730 |
0 |
0 |
0 |
0.000 |
88 |
|
M |
7 |
3 |
11204 |
◊ |
G |
-x+3/2,y-1/2,-z+1 |
4_646 |
5 |
2 |
11331 |
42.8 |
0.3 |
0.730 |
0 |
0 |
0 |
0.000 |
Average: |
75.2 |
0.5 |
0.702 |
1 |
0 |
0 |
0.000 |
20 |
89 |
|
P |
14 |
5 |
13879 |
◊ |
C |
-x+1,y-1,-z+1 |
2_646 |
13 |
6 |
11338 |
95.8 |
-0.3 |
0.583 |
1 |
0 |
0 |
0.000 |
90 |
|
E |
13 |
6 |
11332 |
◊ |
L |
-x+1,y-1,-z+1 |
2_646 |
14 |
5 |
13877 |
94.5 |
-0.3 |
0.583 |
1 |
0 |
0 |
0.000 |
91 |
|
N |
14 |
5 |
13887 |
◊ |
G |
-x+2,y-1,-z+1 |
2_746 |
13 |
6 |
11331 |
93.9 |
-0.3 |
0.588 |
1 |
0 |
0 |
0.000 |
92 |
|
A |
13 |
6 |
11341 |
◊ |
J |
-x,y-1,-z+1 |
2_546 |
14 |
5 |
13888 |
93.6 |
-0.3 |
0.593 |
1 |
0 |
0 |
0.000 |
93 |
|
O |
12 |
4 |
11197 |
◊ |
D |
-x+3/2,y-1/2,-z+1 |
4_646 |
8 |
2 |
13910 |
89.3 |
0.6 |
0.752 |
1 |
0 |
0 |
0.000 |
94 |
|
F |
8 |
2 |
13909 |
◊ |
K |
-x+1/2,y-1/2,-z+1 |
4_546 |
11 |
4 |
11202 |
88.3 |
0.6 |
0.753 |
1 |
0 |
0 |
0.000 |
95 |
|
B |
8 |
2 |
13895 |
◊ |
I |
-x+1/2,y-1/2,-z+1 |
4_546 |
12 |
4 |
11196 |
88.1 |
0.6 |
0.757 |
1 |
0 |
0 |
0.000 |
96 |
|
M |
12 |
4 |
11204 |
◊ |
H |
-x+3/2,y-1/2,-z+1 |
4_646 |
8 |
2 |
13907 |
87.6 |
0.6 |
0.758 |
1 |
0 |
0 |
0.000 |
Average: |
91.4 |
0.2 |
0.671 |
1 |
0 |
0 |
0.000 |
21 |
97 |
|
A |
13 |
5 |
11341 |
◊ |
H |
-x+1,y-1,-z+1 |
2_646 |
6 |
4 |
13907 |
73.9 |
-1.5 |
0.267 |
0 |
0 |
0 |
0.018 |
98 |
|
D |
6 |
4 |
13910 |
◊ |
C |
-x+1,y,-z+2 |
2_657 |
13 |
5 |
11338 |
73.2 |
-1.4 |
0.272 |
0 |
0 |
0 |
0.018 |
99 |
|
B |
5 |
3 |
13895 |
◊ |
G |
-x+1,y-1,-z+1 |
2_646 |
12 |
4 |
11331 |
72.2 |
-1.5 |
0.232 |
0 |
0 |
0 |
0.018 |
100 |
|
F |
5 |
3 |
13909 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
11 |
4 |
11332 |
71.9 |
-1.4 |
0.233 |
0 |
0 |
0 |
0.018 |
Average: |
72.8 |
-1.5 |
0.251 |
0 |
0 |
0 |
0.018 |
22 |
101 |
|
P |
9 |
5 |
13879 |
◊ |
I |
-x+1,y-1,-z+1 |
2_646 |
9 |
3 |
11196 |
59.2 |
0.4 |
0.751 |
0 |
0 |
0 |
0.000 |
102 |
|
O |
9 |
3 |
11197 |
◊ |
J |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
5 |
13888 |
59.1 |
0.4 |
0.751 |
0 |
0 |
0 |
0.000 |
103 |
|
M |
9 |
3 |
11204 |
◊ |
L |
-x+1,y-1,-z+1 |
2_646 |
9 |
5 |
13877 |
58.6 |
0.4 |
0.750 |
0 |
0 |
0 |
0.000 |
104 |
|
N |
9 |
5 |
13887 |
◊ |
K |
-x+3/2,y-1/2,-z+1 |
4_646 |
9 |
3 |
11202 |
58.3 |
0.4 |
0.754 |
0 |
0 |
0 |
0.000 |
105 |
|
B |
1 |
1 |
13895 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
11338 |
0.9 |
0.0 |
0.593 |
0 |
0 |
0 |
0.000 |
106 |
|
A |
1 |
1 |
11341 |
◊ |
D |
-x+1,y-1,-z+1 |
2_646 |
1 |
1 |
13910 |
0.8 |
0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
107 |
|
F |
1 |
1 |
13909 |
◊ |
G |
-x+1,y-1,-z+1 |
2_646 |
1 |
1 |
11331 |
0.8 |
-0.0 |
0.585 |
0 |
0 |
0 |
0.000 |
108 |
|
E |
1 |
1 |
11332 |
◊ |
H |
-x+3/2,y-1/2,-z+1 |
4_646 |
1 |
1 |
13907 |
0.6 |
-0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
Average: |
29.8 |
0.2 |
0.673 |
0 |
0 |
0 |
0.000 |
23 |
109 |
|
[MMA]P:607 |
3 |
1 |
334 |
◊ |
C |
x-1/2,y-1/2,z-1 |
3_444 |
4 |
2 |
11338 |
49.7 |
1.3 |
0.365 |
0 |
0 |
0 |
0.000 |
24 |
110 |
|
[MMA]D:601 |
3 |
1 |
332 |
f |
H |
x-1/2,y-1/2,z |
3_445 |
10 |
5 |
13907 |
49.7 |
1.7 |
0.679 |
0 |
0 |
0 |
0.000 |
111 |
|
B |
9 |
4 |
13895 |
f |
[MMA]F:502 |
x-1/2,y-1/2,z |
3_445 |
4 |
1 |
331 |
46.9 |
1.6 |
0.631 |
0 |
0 |
0 |
0.000 |
112 |
|
F |
9 |
4 |
13909 |
f |
[MMA]H:603 |
x,y-1,z |
1_545 |
3 |
1 |
333 |
45.7 |
1.6 |
0.665 |
0 |
0 |
0 |
0.000 |
113 |
|
[MMA]B:500 |
3 |
1 |
332 |
f |
D |
x,y-1,z-1 |
1_544 |
9 |
4 |
13910 |
45.6 |
1.6 |
0.661 |
0 |
0 |
0 |
0.000 |
Average: |
47.0 |
1.6 |
0.659 |
0 |
0 |
0 |
0.000 |
25 |
114 |
|
[MMA]J:605 |
2 |
1 |
333 |
◊ |
G |
x-1/2,y+1/2,z |
3_455 |
4 |
2 |
11331 |
46.0 |
1.1 |
0.398 |
0 |
0 |
0 |
0.000 |
26 |
115 |
|
A |
4 |
2 |
11341 |
◊ |
[MMA]N:506 |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
332 |
46.0 |
1.1 |
0.391 |
0 |
0 |
0 |
0.000 |
116 |
|
E |
4 |
2 |
11332 |
◊ |
[MMA]L:504 |
x-1/2,y-1/2,z |
3_445 |
2 |
1 |
331 |
44.6 |
1.0 |
0.393 |
0 |
0 |
0 |
0.000 |
Average: |
45.3 |
1.0 |
0.392 |
0 |
0 |
0 |
0.000 |
27 |
117 |
|
F |
3 |
1 |
13909 |
f |
[MMA]L:504 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
331 |
9.9 |
0.2 |
0.586 |
0 |
0 |
0 |
0.000 |
118 |
|
B |
3 |
1 |
13895 |
f |
[MMA]N:506 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
332 |
7.3 |
0.1 |
0.434 |
0 |
0 |
0 |
0.000 |
Average: |
8.6 |
0.1 |
0.510 |
0 |
0 |
0 |
0.000 |
28 |
119 |
|
[MMA]J:605 |
1 |
1 |
333 |
f |
H |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
13907 |
5.5 |
0.1 |
0.377 |
0 |
0 |
0 |
0.000 |
29 |
120 |
|
[MMA]P:607 |
1 |
1 |
334 |
f |
D |
x-1/2,y-1/2,z-1 |
3_444 |
1 |
1 |
13910 |
3.2 |
0.1 |
0.349 |
0 |
0 |
0 |
0.000 |
30 |
121 |
|
K |
3 |
2 |
11202 |
◊ |
G |
x-1/2,y-1/2,z |
3_445 |
2 |
2 |
11331 |
1.0 |
0.2 |
0.707 |
0 |
0 |
0 |
0.000 |
122 |
|
M |
2 |
2 |
11204 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
11332 |
0.9 |
0.2 |
0.693 |
0 |
0 |
0 |
0.000 |
123 |
|
A |
2 |
2 |
11341 |
◊ |
O |
x-1/2,y-1/2,z |
3_445 |
2 |
2 |
11197 |
0.9 |
0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
124 |
|
I |
2 |
2 |
11196 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
11338 |
0.8 |
0.2 |
0.697 |
0 |
0 |
0 |
0.000 |
Average: |
0.9 |
0.1 |
0.683 |
0 |
0 |
0 |
0.000 |
|