## |
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 |
|
D |
193 |
51 |
22351 |
◊ |
C |
x,y,z |
1_555 |
195 |
53 |
22434 |
1906.2 |
-10.9 |
0.444 |
26 |
4 |
0 |
1.000 |
2 |
|
B |
199 |
53 |
22684 |
◊ |
A |
x,y,z |
1_555 |
195 |
53 |
22766 |
1900.1 |
-11.3 |
0.408 |
29 |
4 |
0 |
1.000 |
Average: |
1903.2 |
-11.1 |
0.426 |
28 |
4 |
0 |
1.000 |
2 |
3 |
|
C |
96 |
30 |
22434 |
◊ |
B |
x,y,z |
1_555 |
100 |
30 |
22684 |
931.9 |
1.1 |
0.849 |
13 |
5 |
0 |
0.000 |
4 |
|
D |
93 |
30 |
22351 |
◊ |
A |
x,y,z |
1_555 |
91 |
30 |
22766 |
855.9 |
0.1 |
0.831 |
14 |
3 |
0 |
0.000 |
Average: |
893.9 |
0.6 |
0.840 |
14 |
4 |
0 |
0.000 |
3 |
5 |
|
B |
80 |
25 |
22684 |
◊ |
C |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
79 |
23 |
22434 |
710.9 |
1.9 |
0.862 |
6 |
10 |
0 |
0.000 |
6 |
|
A |
74 |
23 |
22766 |
◊ |
A |
-x,-y,z |
2_555 |
73 |
23 |
22766 |
710.4 |
2.8 |
0.893 |
4 |
8 |
0 |
0.000 |
7 |
|
D |
78 |
25 |
22351 |
◊ |
D |
-x,-y+1,z |
2_565 |
77 |
25 |
22351 |
670.3 |
1.7 |
0.867 |
0 |
6 |
0 |
0.000 |
Average: |
697.2 |
2.1 |
0.874 |
3 |
8 |
0 |
0.000 |
4 |
8 |
|
D |
76 |
21 |
22351 |
◊ |
B |
x,y,z |
1_555 |
76 |
22 |
22684 |
660.8 |
1.7 |
0.848 |
3 |
7 |
0 |
0.000 |
9 |
|
C |
75 |
20 |
22434 |
◊ |
A |
x,y,z |
1_555 |
73 |
18 |
22766 |
657.5 |
0.1 |
0.770 |
7 |
7 |
0 |
0.000 |
Average: |
659.1 |
0.9 |
0.809 |
5 |
7 |
0 |
0.000 |
5 |
10 |
|
[NAP]C:602 |
47 |
1 |
918 |
f |
C |
x,y,z |
1_555 |
68 |
24 |
22434 |
527.7 |
-2.2 |
0.502 |
24 |
0 |
0 |
1.000 |
11 |
|
[NAP]B:603 |
47 |
1 |
912 |
f |
B |
x,y,z |
1_555 |
69 |
24 |
22684 |
526.7 |
-3.5 |
0.448 |
23 |
0 |
0 |
1.000 |
12 |
|
[NAP]D:701 |
47 |
1 |
904 |
f |
D |
x,y,z |
1_555 |
72 |
24 |
22351 |
522.5 |
-2.5 |
0.553 |
23 |
0 |
0 |
1.000 |
13 |
|
[NAP]A:701 |
47 |
1 |
905 |
f |
A |
x,y,z |
1_555 |
70 |
25 |
22766 |
519.8 |
-2.5 |
0.526 |
21 |
0 |
0 |
1.000 |
Average: |
524.2 |
-2.7 |
0.507 |
23 |
0 |
0 |
1.000 |
6 |
14 |
|
[THG]A:702 |
32 |
1 |
677 |
f |
A |
x,y,z |
1_555 |
63 |
22 |
22766 |
463.3 |
2.4 |
0.231 |
6 |
0 |
0 |
0.284 |
15 |
|
[THG]B:601 |
32 |
1 |
671 |
f |
B |
x,y,z |
1_555 |
60 |
20 |
22684 |
454.2 |
1.6 |
0.181 |
6 |
0 |
0 |
0.284 |
16 |
|
[THG]C:601 |
31 |
1 |
671 |
f |
C |
x,y,z |
1_555 |
61 |
20 |
22434 |
453.7 |
2.0 |
0.237 |
8 |
0 |
0 |
0.284 |
17 |
|
[THG]D:703 |
32 |
1 |
668 |
f |
D |
x,y,z |
1_555 |
61 |
23 |
22351 |
449.3 |
1.8 |
0.205 |
7 |
0 |
0 |
0.284 |
Average: |
455.1 |
2.0 |
0.213 |
7 |
0 |
0 |
0.284 |
7 |
18 |
|
A |
39 |
13 |
22766 |
◊ |
B |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
34 |
14 |
22684 |
324.2 |
-2.7 |
0.420 |
2 |
0 |
0 |
0.000 |
8 |
19 |
|
[UMP]A:703 |
17 |
1 |
438 |
f |
A |
x,y,z |
1_555 |
24 |
13 |
22766 |
228.8 |
-2.0 |
0.418 |
9 |
0 |
0 |
0.954 |
20 |
|
[UMP]C:603 |
18 |
1 |
436 |
f |
C |
x,y,z |
1_555 |
26 |
13 |
22434 |
216.1 |
-0.6 |
0.652 |
7 |
0 |
0 |
0.954 |
21 |
|
[UMP]D:702 |
17 |
1 |
435 |
f |
D |
x,y,z |
1_555 |
26 |
13 |
22351 |
212.4 |
-1.9 |
0.465 |
9 |
0 |
0 |
0.954 |
22 |
|
[UMP]B:602 |
17 |
1 |
435 |
f |
B |
x,y,z |
1_555 |
23 |
13 |
22684 |
203.7 |
-1.0 |
0.624 |
8 |
0 |
0 |
0.954 |
Average: |
215.3 |
-1.4 |
0.539 |
8 |
0 |
0 |
0.954 |
9 |
23 |
|
D |
16 |
8 |
22351 |
◊ |
D |
-x,y,-z |
3_555 |
16 |
8 |
22351 |
148.2 |
-0.9 |
0.508 |
0 |
0 |
0 |
0.000 |
10 |
24 |
|
[EDO]C:609 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
22434 |
123.3 |
3.2 |
0.433 |
2 |
0 |
0 |
0.000 |
25 |
|
[EDO]B:604 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
22684 |
122.4 |
3.4 |
0.445 |
2 |
0 |
0 |
0.000 |
Average: |
122.9 |
3.3 |
0.439 |
2 |
0 |
0 |
0.000 |
11 |
26 |
|
[EDO]D:705 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
24 |
9 |
22351 |
122.8 |
3.6 |
0.491 |
2 |
0 |
0 |
0.000 |
12 |
27 |
|
[EDO]A:705 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
22766 |
122.3 |
3.5 |
0.483 |
1 |
0 |
0 |
0.000 |
28 |
|
[EDO]D:704 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
22351 |
117.4 |
3.0 |
0.445 |
1 |
0 |
0 |
0.000 |
Average: |
119.9 |
3.2 |
0.464 |
1 |
0 |
0 |
0.000 |
13 |
29 |
|
[EDO]C:606 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
24 |
9 |
22434 |
121.6 |
5.1 |
0.580 |
0 |
0 |
0 |
0.000 |
14 |
30 |
|
[EDO]D:712 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
21 |
7 |
22351 |
121.6 |
3.2 |
0.452 |
2 |
0 |
0 |
0.000 |
15 |
31 |
|
[EDO]A:704 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
22766 |
121.2 |
3.2 |
0.445 |
2 |
0 |
0 |
0.000 |
16 |
32 |
|
[EDO]B:605 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
22684 |
120.2 |
3.1 |
0.445 |
1 |
0 |
0 |
0.000 |
33 |
|
[EDO]C:604 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
22434 |
112.7 |
2.9 |
0.451 |
1 |
0 |
0 |
0.000 |
Average: |
116.4 |
3.0 |
0.448 |
1 |
0 |
0 |
0.000 |
17 |
34 |
|
[EDO]D:708 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
22 |
9 |
22351 |
114.2 |
3.7 |
0.507 |
3 |
0 |
0 |
0.000 |
18 |
35 |
|
[EDO]B:613 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
22684 |
113.7 |
3.3 |
0.457 |
5 |
0 |
0 |
0.000 |
19 |
36 |
|
D |
13 |
5 |
22351 |
◊ |
B |
-x,y,-z |
3_555 |
11 |
2 |
22684 |
112.6 |
-0.3 |
0.584 |
1 |
0 |
0 |
0.000 |
20 |
37 |
|
[EDO]A:713 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
22766 |
112.4 |
3.4 |
0.461 |
1 |
0 |
0 |
0.000 |
21 |
38 |
|
[EDO]C:611 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
14 |
10 |
22434 |
108.5 |
3.3 |
0.468 |
2 |
0 |
0 |
0.000 |
22 |
39 |
|
[EDO]A:712 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
22766 |
107.2 |
3.4 |
0.472 |
1 |
0 |
0 |
0.000 |
23 |
40 |
|
[EDO]A:710 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
22766 |
105.7 |
3.7 |
0.509 |
3 |
0 |
0 |
0.000 |
24 |
41 |
|
[EDO]D:713 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
9 |
22351 |
101.4 |
3.0 |
0.484 |
1 |
0 |
0 |
0.000 |
25 |
42 |
|
D |
9 |
4 |
22351 |
◊ |
C |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
18 |
6 |
22434 |
101.3 |
-1.0 |
0.465 |
0 |
0 |
0 |
0.000 |
26 |
43 |
|
[EDO]C:614 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
22434 |
98.0 |
3.0 |
0.444 |
0 |
0 |
0 |
0.000 |
27 |
44 |
|
[EDO]A:714 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
22766 |
97.5 |
2.4 |
0.452 |
0 |
0 |
0 |
0.000 |
28 |
45 |
|
[EDO]D:711 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
23 |
6 |
22351 |
95.7 |
1.9 |
0.384 |
0 |
0 |
0 |
0.000 |
29 |
46 |
|
[EDO]A:716 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
22766 |
94.6 |
3.2 |
0.501 |
0 |
0 |
0 |
0.000 |
47 |
|
[EDO]B:612 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
16 |
7 |
22434 |
93.8 |
3.1 |
0.518 |
1 |
0 |
0 |
0.000 |
Average: |
94.2 |
3.1 |
0.509 |
1 |
0 |
0 |
0.000 |
30 |
48 |
|
[EDO]B:609 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
8 |
22684 |
94.2 |
3.5 |
0.552 |
1 |
0 |
0 |
0.000 |
31 |
49 |
|
[EDO]D:707 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
22351 |
92.8 |
2.6 |
0.287 |
2 |
0 |
0 |
0.000 |
32 |
50 |
|
[EDO]C:612 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
16 |
7 |
22434 |
92.6 |
2.3 |
0.264 |
0 |
0 |
0 |
0.000 |
33 |
51 |
|
[UMP]B:602 |
9 |
1 |
435 |
◊ |
A |
x,y,z |
1_555 |
12 |
2 |
22766 |
92.5 |
-2.7 |
0.411 |
3 |
0 |
0 |
0.710 |
52 |
|
[UMP]D:702 |
9 |
1 |
435 |
◊ |
C |
x,y,z |
1_555 |
11 |
2 |
22434 |
91.7 |
-2.7 |
0.406 |
3 |
0 |
0 |
0.710 |
53 |
|
[UMP]A:703 |
9 |
1 |
438 |
◊ |
B |
x,y,z |
1_555 |
13 |
2 |
22684 |
91.5 |
-2.7 |
0.416 |
2 |
0 |
0 |
0.710 |
54 |
|
[UMP]C:603 |
9 |
1 |
436 |
◊ |
D |
x,y,z |
1_555 |
11 |
2 |
22351 |
89.7 |
-2.7 |
0.415 |
1 |
0 |
0 |
0.710 |
Average: |
91.4 |
-2.7 |
0.412 |
2 |
0 |
0 |
0.710 |
34 |
55 |
|
[EDO]C:608 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
13 |
7 |
22434 |
90.9 |
3.1 |
0.559 |
1 |
0 |
0 |
0.000 |
35 |
56 |
|
[EDO]A:708 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
22351 |
90.9 |
3.2 |
0.522 |
0 |
0 |
0 |
0.000 |
36 |
57 |
|
[EDO]B:615 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
22684 |
90.8 |
2.4 |
0.265 |
0 |
0 |
0 |
0.000 |
37 |
58 |
|
[EDO]D:709 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
22351 |
90.6 |
2.2 |
0.261 |
0 |
0 |
0 |
0.000 |
38 |
59 |
|
[EDO]A:706 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
22766 |
89.7 |
2.2 |
0.259 |
1 |
0 |
0 |
0.000 |
39 |
60 |
|
[EDO]A:717 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
22766 |
89.5 |
1.5 |
0.206 |
1 |
0 |
0 |
0.000 |
40 |
61 |
|
[EDO]B:610 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
21 |
6 |
22684 |
88.1 |
1.8 |
0.388 |
0 |
0 |
0 |
0.000 |
41 |
62 |
|
[EDO]B:607 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
22434 |
86.7 |
2.2 |
0.431 |
0 |
0 |
0 |
0.000 |
42 |
63 |
|
[EDO]B:611 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
22684 |
84.4 |
2.9 |
0.545 |
2 |
0 |
0 |
0.000 |
43 |
64 |
|
[EDO]B:606 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
22684 |
84.2 |
2.7 |
0.318 |
2 |
0 |
0 |
0.000 |
44 |
65 |
|
[EDO]C:605 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
22684 |
82.4 |
2.2 |
0.405 |
1 |
0 |
0 |
0.000 |
66 |
|
[EDO]A:707 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
22766 |
81.6 |
2.2 |
0.413 |
1 |
0 |
0 |
0.000 |
Average: |
82.0 |
2.2 |
0.409 |
1 |
0 |
0 |
0.000 |
45 |
67 |
|
[EDO]C:607 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
22434 |
82.3 |
2.7 |
0.319 |
3 |
0 |
0 |
0.000 |
46 |
68 |
|
[EDO]A:709 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
22351 |
82.1 |
2.0 |
0.402 |
2 |
0 |
0 |
0.000 |
47 |
69 |
|
[EDO]A:715 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
22766 |
80.9 |
1.7 |
0.224 |
0 |
0 |
0 |
0.000 |
48 |
70 |
|
[EDO]B:608 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
22684 |
79.0 |
1.7 |
0.230 |
3 |
0 |
0 |
0.000 |
49 |
71 |
|
[EDO]A:711 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
22766 |
79.0 |
2.3 |
0.311 |
2 |
0 |
0 |
0.000 |
50 |
72 |
|
[EDO]D:706 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
22351 |
78.0 |
2.2 |
0.305 |
3 |
0 |
0 |
0.000 |
51 |
73 |
|
[EDO]C:613 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
22434 |
77.5 |
2.8 |
0.295 |
0 |
0 |
0 |
0.000 |
52 |
74 |
|
[EDO]D:710 |
4 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
22434 |
76.0 |
1.3 |
0.679 |
2 |
0 |
0 |
0.000 |
53 |
75 |
|
[EDO]D:710 |
4 |
1 |
181 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
22351 |
73.1 |
1.9 |
0.241 |
2 |
0 |
0 |
0.000 |
54 |
76 |
|
[EDO]C:610 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
22766 |
72.5 |
1.0 |
0.617 |
1 |
0 |
0 |
0.000 |
55 |
77 |
|
[EDO]B:608 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
22766 |
72.0 |
2.1 |
0.244 |
0 |
0 |
0 |
0.000 |
56 |
78 |
|
[THG]B:601 |
12 |
1 |
671 |
f |
[NAP]B:603 |
x,y,z |
1_555 |
10 |
1 |
912 |
71.1 |
0.9 |
0.309 |
0 |
0 |
0 |
0.000 |
79 |
|
[THG]C:601 |
12 |
1 |
671 |
f |
[NAP]C:602 |
x,y,z |
1_555 |
9 |
1 |
918 |
67.4 |
0.4 |
0.224 |
0 |
0 |
0 |
0.000 |
80 |
|
[THG]A:702 |
8 |
1 |
677 |
f |
[NAP]A:701 |
x,y,z |
1_555 |
10 |
1 |
905 |
57.3 |
1.3 |
0.428 |
0 |
0 |
0 |
0.000 |
81 |
|
[THG]D:703 |
11 |
1 |
668 |
f |
[NAP]D:701 |
x,y,z |
1_555 |
10 |
1 |
904 |
56.8 |
1.4 |
0.374 |
0 |
0 |
0 |
0.000 |
Average: |
63.1 |
1.0 |
0.334 |
0 |
0 |
0 |
0.000 |
57 |
82 |
|
[EDO]B:614 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
22684 |
69.8 |
1.8 |
0.270 |
1 |
0 |
0 |
0.000 |
58 |
83 |
|
[EDO]A:711 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
22351 |
68.1 |
2.2 |
0.528 |
0 |
0 |
0 |
0.000 |
59 |
84 |
|
[EDO]A:707 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
22351 |
67.6 |
1.0 |
0.627 |
1 |
0 |
0 |
0.000 |
85 |
|
[EDO]C:605 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
22434 |
66.5 |
1.0 |
0.625 |
0 |
0 |
0 |
0.000 |
Average: |
67.1 |
1.0 |
0.626 |
1 |
0 |
0 |
0.000 |
60 |
86 |
|
[EDO]A:709 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
22766 |
66.9 |
1.3 |
0.221 |
1 |
0 |
0 |
0.000 |
61 |
87 |
|
[EDO]D:706 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
22766 |
66.9 |
2.2 |
0.263 |
0 |
0 |
0 |
0.000 |
62 |
88 |
|
[EDO]C:610 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
22434 |
66.8 |
0.9 |
0.126 |
0 |
0 |
0 |
0.000 |
63 |
89 |
|
[EDO]C:607 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
22684 |
66.8 |
2.1 |
0.514 |
0 |
0 |
0 |
0.000 |
64 |
90 |
|
[EDO]B:606 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
22434 |
65.9 |
2.0 |
0.517 |
0 |
0 |
0 |
0.000 |
65 |
91 |
|
[EDO]B:607 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
22684 |
64.5 |
1.0 |
0.223 |
0 |
0 |
0 |
0.000 |
66 |
92 |
|
[EDO]C:608 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
22351 |
55.6 |
1.0 |
0.792 |
1 |
0 |
0 |
0.000 |
67 |
93 |
|
[EDO]A:708 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
22766 |
55.2 |
1.8 |
0.297 |
0 |
0 |
0 |
0.000 |
68 |
94 |
|
[EDO]A:715 |
4 |
1 |
186 |
◊ |
B |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
7 |
4 |
22684 |
53.9 |
2.4 |
0.954 |
0 |
0 |
0 |
0.000 |
69 |
95 |
|
[EDO]B:612 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
22684 |
52.0 |
1.7 |
0.292 |
1 |
0 |
0 |
0.000 |
96 |
|
[EDO]A:716 |
3 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
22351 |
50.5 |
1.4 |
0.285 |
2 |
0 |
0 |
0.000 |
Average: |
51.2 |
1.5 |
0.289 |
2 |
0 |
0 |
0.000 |
70 |
97 |
|
[EDO]B:609 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
22766 |
49.7 |
0.9 |
0.766 |
0 |
0 |
0 |
0.000 |
71 |
98 |
|
A |
7 |
4 |
22766 |
◊ |
A |
-x,y,-z |
3_555 |
7 |
4 |
22766 |
48.5 |
0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
72 |
99 |
|
C |
5 |
3 |
22434 |
◊ |
D |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
6 |
2 |
22351 |
46.9 |
0.9 |
0.829 |
1 |
0 |
0 |
0.000 |
73 |
100 |
|
[EDO]C:611 |
4 |
1 |
183 |
f |
[EDO]C:604 |
x,y,z |
1_555 |
2 |
1 |
184 |
38.8 |
2.2 |
0.707 |
0 |
0 |
0 |
0.000 |
74 |
101 |
|
[EDO]B:615 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
22766 |
37.9 |
0.9 |
0.404 |
0 |
0 |
0 |
0.000 |
75 |
102 |
|
[EDO]A:706 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
22684 |
36.4 |
0.8 |
0.574 |
0 |
0 |
0 |
0.000 |
76 |
103 |
|
[EDO]C:612 |
2 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
22351 |
36.1 |
0.8 |
0.408 |
0 |
0 |
0 |
0.000 |
77 |
104 |
|
[EDO]B:611 |
3 |
1 |
184 |
f |
[EDO]B:610 |
x,y,z |
1_555 |
2 |
1 |
185 |
35.8 |
2.1 |
0.707 |
0 |
0 |
0 |
0.000 |
78 |
105 |
|
[EDO]B:610 |
2 |
1 |
185 |
f |
[UMP]B:602 |
x,y,z |
1_555 |
8 |
1 |
435 |
34.7 |
1.5 |
0.593 |
0 |
0 |
0 |
0.000 |
79 |
106 |
|
[EDO]D:709 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
22434 |
34.6 |
0.8 |
0.540 |
0 |
0 |
0 |
0.000 |
80 |
107 |
|
[EDO]B:611 |
2 |
1 |
184 |
f |
[UMP]B:602 |
x,y,z |
1_555 |
3 |
1 |
435 |
34.0 |
1.0 |
0.519 |
0 |
0 |
0 |
0.000 |
81 |
108 |
|
[EDO]D:711 |
2 |
1 |
185 |
f |
[UMP]D:702 |
x,y,z |
1_555 |
9 |
1 |
435 |
33.6 |
1.2 |
0.827 |
0 |
0 |
0 |
0.000 |
82 |
109 |
|
[EDO]D:707 |
2 |
1 |
185 |
f |
[UMP]D:702 |
x,y,z |
1_555 |
5 |
1 |
435 |
31.7 |
1.9 |
0.607 |
0 |
0 |
0 |
0.000 |
83 |
110 |
|
[EDO]C:608 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
22766 |
30.4 |
1.0 |
0.918 |
0 |
0 |
0 |
0.000 |
84 |
111 |
|
[EDO]B:609 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
22351 |
29.4 |
1.0 |
0.936 |
1 |
0 |
0 |
0.000 |
85 |
112 |
|
[EDO]A:717 |
2 |
1 |
183 |
f |
[EDO]A:712 |
x,y,z |
1_555 |
2 |
1 |
184 |
27.9 |
1.8 |
1.000 |
0 |
0 |
0 |
0.000 |
86 |
113 |
|
[EDO]D:711 |
3 |
1 |
185 |
f |
[EDO]D:707 |
x,y,z |
1_555 |
2 |
1 |
185 |
24.5 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|