## |
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 |
|
N |
172 |
45 |
8560 |
◊ |
M |
x,y,z |
1_555 |
172 |
46 |
8410 |
1536.2 |
-17.3 |
0.156 |
20 |
10 |
0 |
0.757 |
2 |
|
L |
171 |
46 |
8649 |
◊ |
K |
x,y,z |
1_555 |
171 |
44 |
8620 |
1534.9 |
-17.2 |
0.132 |
20 |
11 |
0 |
0.757 |
3 |
|
D |
170 |
45 |
8684 |
◊ |
C |
x,y,z |
1_555 |
171 |
46 |
8463 |
1531.1 |
-17.5 |
0.133 |
20 |
11 |
0 |
0.757 |
4 |
|
B |
172 |
45 |
8655 |
◊ |
A |
x,y,z |
1_555 |
171 |
46 |
8375 |
1530.7 |
-17.1 |
0.150 |
20 |
12 |
0 |
0.757 |
5 |
|
F |
172 |
46 |
8629 |
◊ |
E |
x,y,z |
1_555 |
171 |
46 |
8403 |
1529.6 |
-17.3 |
0.148 |
20 |
11 |
0 |
0.757 |
6 |
|
H |
173 |
46 |
8383 |
◊ |
G |
x,y,z |
1_555 |
171 |
46 |
8340 |
1529.4 |
-17.3 |
0.169 |
20 |
11 |
0 |
0.757 |
7 |
|
P |
172 |
45 |
8709 |
◊ |
O |
x,y,z |
1_555 |
172 |
46 |
8625 |
1529.0 |
-17.3 |
0.137 |
20 |
11 |
0 |
0.757 |
8 |
|
J |
171 |
46 |
8415 |
◊ |
I |
x,y,z |
1_555 |
170 |
44 |
8569 |
1527.0 |
-17.2 |
0.157 |
20 |
10 |
0 |
0.757 |
9 |
|
T |
170 |
45 |
8383 |
◊ |
S |
x,y,z |
1_555 |
173 |
46 |
8365 |
1524.6 |
-17.4 |
0.161 |
21 |
11 |
0 |
0.757 |
10 |
|
R |
171 |
45 |
8375 |
◊ |
Q |
x,y,z |
1_555 |
170 |
45 |
8453 |
1519.4 |
-17.2 |
0.162 |
20 |
10 |
0 |
0.757 |
Average: |
1529.2 |
-17.3 |
0.150 |
20 |
11 |
0 |
0.757 |
2 |
11 |
|
E |
72 |
20 |
8403 |
◊ |
B |
x,y,z |
1_555 |
71 |
20 |
8655 |
666.7 |
-0.1 |
0.724 |
10 |
5 |
0 |
0.000 |
12 |
|
G |
72 |
20 |
8340 |
◊ |
D |
x,y,z |
1_555 |
72 |
20 |
8684 |
663.4 |
0.0 |
0.736 |
11 |
5 |
0 |
0.000 |
13 |
|
O |
72 |
20 |
8625 |
◊ |
K |
x,y,z |
1_555 |
72 |
20 |
8620 |
660.9 |
-0.1 |
0.717 |
11 |
5 |
0 |
0.000 |
14 |
|
M |
72 |
20 |
8410 |
◊ |
I |
x,y,z |
1_555 |
70 |
20 |
8569 |
659.1 |
-0.1 |
0.742 |
10 |
5 |
0 |
0.000 |
15 |
|
L |
72 |
20 |
8649 |
◊ |
C |
x,y,z |
1_555 |
72 |
20 |
8463 |
657.5 |
0.1 |
0.735 |
9 |
4 |
0 |
0.000 |
16 |
|
J |
72 |
20 |
8415 |
◊ |
A |
x,y,z |
1_555 |
72 |
20 |
8375 |
657.3 |
0.3 |
0.764 |
9 |
4 |
0 |
0.000 |
17 |
|
Q |
72 |
20 |
8453 |
◊ |
N |
x,y,z |
1_555 |
74 |
20 |
8560 |
656.2 |
-0.1 |
0.732 |
9 |
6 |
0 |
0.000 |
18 |
|
R |
71 |
20 |
8375 |
◊ |
F |
x,y,z |
1_555 |
73 |
20 |
8629 |
654.5 |
-0.1 |
0.732 |
10 |
6 |
0 |
0.000 |
19 |
|
T |
72 |
20 |
8383 |
◊ |
H |
x,y,z |
1_555 |
72 |
20 |
8383 |
649.2 |
0.0 |
0.757 |
8 |
5 |
0 |
0.000 |
20 |
|
S |
71 |
20 |
8365 |
◊ |
P |
x,y,z |
1_555 |
71 |
19 |
8709 |
645.9 |
-0.1 |
0.731 |
8 |
4 |
0 |
0.000 |
Average: |
657.1 |
-0.0 |
0.737 |
10 |
5 |
0 |
0.000 |
3 |
21 |
|
O |
33 |
14 |
8625 |
◊ |
K |
-x+1,y-1/2,-z+2 |
2_647 |
35 |
15 |
8620 |
303.3 |
-1.4 |
0.509 |
0 |
0 |
0 |
0.000 |
22 |
|
B |
31 |
13 |
8655 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
12 |
8403 |
298.5 |
-1.5 |
0.515 |
0 |
0 |
0 |
0.000 |
23 |
|
M |
30 |
12 |
8410 |
◊ |
I |
-x,y-1/2,-z+1 |
2_546 |
29 |
11 |
8569 |
272.0 |
-1.7 |
0.505 |
0 |
0 |
0 |
0.000 |
24 |
|
D |
29 |
12 |
8684 |
◊ |
G |
-x+2,y-1/2,-z+2 |
2_747 |
29 |
11 |
8340 |
249.1 |
-2.4 |
0.410 |
0 |
0 |
0 |
0.000 |
Average: |
280.7 |
-1.8 |
0.485 |
0 |
0 |
0 |
0.000 |
4 |
25 |
|
L |
34 |
12 |
8649 |
◊ |
P |
-x+1,y-1/2,-z+2 |
2_647 |
31 |
11 |
8709 |
288.1 |
-4.0 |
0.266 |
2 |
0 |
0 |
0.000 |
26 |
|
J |
34 |
12 |
8415 |
◊ |
N |
-x,y-1/2,-z+1 |
2_546 |
35 |
12 |
8560 |
281.8 |
-4.2 |
0.265 |
2 |
0 |
0 |
0.000 |
27 |
|
H |
32 |
10 |
8383 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
32 |
11 |
8463 |
277.2 |
-4.1 |
0.258 |
2 |
0 |
0 |
0.000 |
28 |
|
F |
31 |
10 |
8629 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
34 |
11 |
8375 |
277.1 |
-4.2 |
0.254 |
2 |
0 |
0 |
0.000 |
Average: |
281.0 |
-4.1 |
0.261 |
2 |
0 |
0 |
0.000 |
5 |
29 |
|
R |
17 |
7 |
8375 |
◊ |
L |
x,y,z |
1_555 |
26 |
7 |
8649 |
216.9 |
-0.6 |
0.586 |
2 |
2 |
0 |
0.000 |
6 |
30 |
|
[3MQ]R:1172 |
12 |
1 |
346 |
◊ |
R |
x,y,z |
1_555 |
28 |
11 |
8375 |
161.3 |
-2.3 |
0.546 |
0 |
0 |
0 |
0.061 |
31 |
|
[3MQ]G:1172 |
12 |
1 |
343 |
◊ |
G |
x,y,z |
1_555 |
30 |
11 |
8340 |
160.0 |
-2.2 |
0.546 |
0 |
0 |
0 |
0.061 |
32 |
|
[3MQ]S:1172 |
12 |
1 |
345 |
◊ |
S |
x,y,z |
1_555 |
29 |
12 |
8365 |
159.3 |
-2.3 |
0.526 |
0 |
0 |
0 |
0.061 |
Average: |
160.2 |
-2.3 |
0.539 |
0 |
0 |
0 |
0.061 |
7 |
33 |
|
[3MQ]J:1172 |
12 |
1 |
342 |
f |
J |
x,y,z |
1_555 |
28 |
11 |
8415 |
159.9 |
-2.3 |
0.523 |
0 |
0 |
0 |
0.145 |
34 |
|
[3MQ]A:1172 |
12 |
1 |
343 |
f |
A |
x,y,z |
1_555 |
29 |
11 |
8375 |
159.3 |
-2.3 |
0.549 |
0 |
0 |
0 |
0.145 |
35 |
|
[3MQ]P:1172 |
12 |
1 |
341 |
f |
P |
x,y,z |
1_555 |
28 |
11 |
8709 |
159.0 |
-2.3 |
0.525 |
0 |
0 |
0 |
0.145 |
36 |
|
[3MQ]Q:1172 |
12 |
1 |
344 |
f |
Q |
x,y,z |
1_555 |
28 |
11 |
8453 |
158.9 |
-2.2 |
0.548 |
0 |
0 |
0 |
0.145 |
37 |
|
[3MQ]D:1172 |
12 |
1 |
343 |
f |
D |
x,y,z |
1_555 |
28 |
11 |
8684 |
158.5 |
-2.2 |
0.500 |
0 |
0 |
0 |
0.145 |
38 |
|
[3MQ]M:1172 |
12 |
1 |
341 |
f |
M |
x,y,z |
1_555 |
27 |
10 |
8410 |
157.2 |
-2.2 |
0.544 |
0 |
0 |
0 |
0.145 |
39 |
|
[3MQ]T:1172 |
12 |
1 |
342 |
f |
T |
x,y,z |
1_555 |
28 |
11 |
8383 |
156.9 |
-2.3 |
0.537 |
0 |
0 |
0 |
0.145 |
40 |
|
[3MQ]L:1172 |
12 |
1 |
337 |
f |
L |
x,y,z |
1_555 |
26 |
10 |
8649 |
155.9 |
-2.1 |
0.529 |
1 |
0 |
0 |
0.145 |
41 |
|
[3MQ]C:1172 |
12 |
1 |
336 |
f |
C |
x,y,z |
1_555 |
26 |
10 |
8463 |
155.8 |
-2.1 |
0.530 |
1 |
0 |
0 |
0.145 |
42 |
|
[3MQ]B:1172 |
12 |
1 |
340 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
8655 |
155.7 |
-2.2 |
0.521 |
0 |
0 |
0 |
0.145 |
43 |
|
[3MQ]F:1172 |
12 |
1 |
335 |
f |
F |
x,y,z |
1_555 |
27 |
10 |
8629 |
155.4 |
-2.3 |
0.523 |
0 |
0 |
0 |
0.145 |
44 |
|
[3MQ]I:1172 |
12 |
1 |
339 |
f |
I |
x,y,z |
1_555 |
27 |
11 |
8569 |
155.0 |
-2.3 |
0.535 |
0 |
0 |
0 |
0.145 |
45 |
|
[3MQ]N:1172 |
12 |
1 |
337 |
f |
N |
x,y,z |
1_555 |
28 |
11 |
8560 |
153.6 |
-2.2 |
0.540 |
0 |
0 |
0 |
0.145 |
46 |
|
[3MQ]H:1172 |
12 |
1 |
334 |
f |
H |
x,y,z |
1_555 |
25 |
9 |
8383 |
153.4 |
-2.0 |
0.543 |
2 |
0 |
0 |
0.145 |
47 |
|
[3MQ]K:1172 |
12 |
1 |
335 |
f |
K |
x,y,z |
1_555 |
26 |
10 |
8620 |
152.2 |
-2.1 |
0.523 |
2 |
0 |
0 |
0.145 |
Average: |
156.4 |
-2.2 |
0.531 |
0 |
0 |
0 |
0.145 |
8 |
48 |
|
[3MQ]O:1172 |
12 |
1 |
334 |
◊ |
O |
x,y,z |
1_555 |
25 |
9 |
8625 |
151.8 |
-2.3 |
0.505 |
0 |
0 |
0 |
0.061 |
49 |
|
[3MQ]E:1172 |
12 |
1 |
335 |
◊ |
E |
x,y,z |
1_555 |
25 |
9 |
8403 |
151.5 |
-2.3 |
0.511 |
0 |
0 |
0 |
0.061 |
Average: |
151.6 |
-2.3 |
0.508 |
0 |
0 |
0 |
0.061 |
9 |
50 |
|
Q |
24 |
6 |
8453 |
◊ |
T |
-x+1,y-1/2,-z+2 |
2_647 |
19 |
9 |
8383 |
142.0 |
0.9 |
0.758 |
0 |
0 |
0 |
0.000 |
10 |
51 |
|
[3MQ]S:1172 |
12 |
1 |
345 |
f |
T |
x,y,z |
1_555 |
19 |
7 |
8383 |
138.1 |
-2.5 |
0.398 |
1 |
0 |
0 |
0.077 |
52 |
|
[3MQ]R:1172 |
12 |
1 |
346 |
f |
Q |
x,y,z |
1_555 |
17 |
6 |
8453 |
136.3 |
-2.4 |
0.400 |
1 |
0 |
0 |
0.077 |
53 |
|
[3MQ]G:1172 |
12 |
1 |
343 |
f |
H |
x,y,z |
1_555 |
17 |
6 |
8383 |
136.2 |
-2.4 |
0.398 |
1 |
0 |
0 |
0.077 |
Average: |
136.9 |
-2.4 |
0.399 |
1 |
0 |
0 |
0.077 |
11 |
54 |
|
[3MQ]T:1172 |
12 |
1 |
342 |
◊ |
S |
x,y,z |
1_555 |
18 |
6 |
8365 |
135.7 |
-2.3 |
0.417 |
1 |
0 |
0 |
0.140 |
55 |
|
[3MQ]D:1172 |
12 |
1 |
343 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
8463 |
134.5 |
-2.4 |
0.392 |
1 |
0 |
0 |
0.140 |
56 |
|
[3MQ]M:1172 |
12 |
1 |
341 |
◊ |
N |
x,y,z |
1_555 |
19 |
5 |
8560 |
133.7 |
-2.3 |
0.425 |
0 |
0 |
0 |
0.140 |
57 |
|
[3MQ]I:1172 |
12 |
1 |
339 |
◊ |
J |
x,y,z |
1_555 |
17 |
5 |
8415 |
133.6 |
-2.2 |
0.430 |
1 |
0 |
0 |
0.140 |
58 |
|
[3MQ]Q:1172 |
12 |
1 |
344 |
◊ |
R |
x,y,z |
1_555 |
18 |
7 |
8375 |
133.6 |
-2.3 |
0.429 |
1 |
0 |
0 |
0.140 |
59 |
|
[3MQ]P:1172 |
12 |
1 |
341 |
◊ |
O |
x,y,z |
1_555 |
16 |
5 |
8625 |
132.9 |
-2.2 |
0.400 |
1 |
0 |
0 |
0.140 |
60 |
|
[3MQ]A:1172 |
12 |
1 |
343 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
8655 |
132.8 |
-2.4 |
0.410 |
1 |
0 |
0 |
0.140 |
61 |
|
[3MQ]L:1172 |
12 |
1 |
337 |
◊ |
K |
x,y,z |
1_555 |
18 |
5 |
8620 |
132.0 |
-2.4 |
0.409 |
0 |
0 |
0 |
0.140 |
62 |
|
[3MQ]B:1172 |
12 |
1 |
340 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
8375 |
131.5 |
-2.4 |
0.412 |
0 |
0 |
0 |
0.140 |
63 |
|
[3MQ]N:1172 |
12 |
1 |
337 |
◊ |
M |
x,y,z |
1_555 |
18 |
6 |
8410 |
131.5 |
-2.2 |
0.435 |
0 |
0 |
0 |
0.140 |
64 |
|
[3MQ]K:1172 |
12 |
1 |
335 |
◊ |
L |
x,y,z |
1_555 |
18 |
5 |
8649 |
131.3 |
-2.5 |
0.416 |
0 |
0 |
0 |
0.140 |
65 |
|
[3MQ]H:1172 |
12 |
1 |
334 |
◊ |
G |
x,y,z |
1_555 |
16 |
5 |
8340 |
130.9 |
-2.5 |
0.392 |
0 |
0 |
0 |
0.140 |
66 |
|
[3MQ]F:1172 |
12 |
1 |
335 |
◊ |
E |
x,y,z |
1_555 |
17 |
5 |
8403 |
130.5 |
-2.2 |
0.421 |
1 |
0 |
0 |
0.140 |
67 |
|
[3MQ]C:1172 |
12 |
1 |
336 |
◊ |
D |
x,y,z |
1_555 |
17 |
5 |
8684 |
130.4 |
-2.5 |
0.391 |
0 |
0 |
0 |
0.140 |
Average: |
132.5 |
-2.3 |
0.413 |
1 |
0 |
0 |
0.140 |
12 |
68 |
|
[3MQ]J:1172 |
12 |
1 |
342 |
◊ |
I |
x,y,z |
1_555 |
19 |
7 |
8569 |
135.5 |
-2.3 |
0.417 |
1 |
0 |
0 |
0.073 |
13 |
69 |
|
[3MQ]E:1172 |
12 |
1 |
335 |
f |
F |
x,y,z |
1_555 |
16 |
5 |
8629 |
133.0 |
-2.2 |
0.391 |
1 |
0 |
0 |
0.069 |
70 |
|
[3MQ]O:1172 |
12 |
1 |
334 |
f |
P |
x,y,z |
1_555 |
17 |
5 |
8709 |
131.6 |
-2.1 |
0.417 |
0 |
0 |
0 |
0.069 |
Average: |
132.3 |
-2.1 |
0.404 |
1 |
0 |
0 |
0.069 |
14 |
71 |
|
J |
12 |
4 |
8415 |
◊ |
T |
x-1,y,z-1 |
1_454 |
12 |
4 |
8383 |
126.3 |
-0.4 |
0.579 |
2 |
0 |
0 |
0.000 |
15 |
72 |
|
E |
12 |
6 |
8403 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
8375 |
111.2 |
-0.9 |
0.441 |
1 |
0 |
0 |
0.000 |
73 |
|
L |
12 |
6 |
8649 |
◊ |
D |
x,y,z |
1_555 |
10 |
2 |
8684 |
110.0 |
-0.9 |
0.433 |
1 |
0 |
0 |
0.000 |
74 |
|
H |
10 |
2 |
8383 |
◊ |
D |
x,y,z |
1_555 |
12 |
6 |
8684 |
109.3 |
-0.8 |
0.450 |
1 |
0 |
0 |
0.000 |
75 |
|
I |
10 |
2 |
8569 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
8375 |
108.5 |
-0.9 |
0.422 |
1 |
0 |
0 |
0.000 |
76 |
|
K |
10 |
2 |
8620 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
8463 |
108.0 |
-0.9 |
0.421 |
1 |
0 |
0 |
0.000 |
77 |
|
M |
12 |
6 |
8410 |
◊ |
J |
x,y,z |
1_555 |
10 |
2 |
8415 |
108.0 |
-0.9 |
0.441 |
1 |
0 |
0 |
0.000 |
78 |
|
G |
12 |
6 |
8340 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
8463 |
107.9 |
-0.8 |
0.451 |
1 |
0 |
0 |
0.000 |
79 |
|
J |
11 |
6 |
8415 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
8655 |
107.8 |
-0.9 |
0.413 |
1 |
0 |
0 |
0.000 |
80 |
|
R |
11 |
6 |
8375 |
◊ |
E |
x,y,z |
1_555 |
10 |
2 |
8403 |
107.6 |
-0.9 |
0.422 |
1 |
0 |
0 |
0.000 |
81 |
|
O |
12 |
6 |
8625 |
◊ |
L |
x,y,z |
1_555 |
10 |
2 |
8649 |
106.1 |
-0.8 |
0.447 |
1 |
0 |
0 |
0.000 |
82 |
|
Q |
11 |
5 |
8453 |
◊ |
M |
x,y,z |
1_555 |
10 |
2 |
8410 |
106.0 |
-0.9 |
0.429 |
1 |
0 |
0 |
0.000 |
83 |
|
T |
11 |
5 |
8383 |
◊ |
G |
x,y,z |
1_555 |
10 |
2 |
8340 |
105.8 |
-0.8 |
0.438 |
1 |
0 |
0 |
0.000 |
84 |
|
R |
10 |
2 |
8375 |
◊ |
N |
x,y,z |
1_555 |
11 |
5 |
8560 |
105.8 |
-0.9 |
0.435 |
1 |
0 |
0 |
0.000 |
85 |
|
P |
10 |
2 |
8709 |
◊ |
K |
x,y,z |
1_555 |
11 |
5 |
8620 |
105.5 |
-0.8 |
0.428 |
1 |
0 |
0 |
0.000 |
86 |
|
S |
11 |
5 |
8365 |
◊ |
O |
x,y,z |
1_555 |
10 |
2 |
8625 |
104.9 |
-0.8 |
0.439 |
1 |
0 |
0 |
0.000 |
87 |
|
S |
10 |
2 |
8365 |
◊ |
H |
x,y,z |
1_555 |
11 |
5 |
8383 |
104.2 |
-0.8 |
0.452 |
1 |
0 |
0 |
0.000 |
88 |
|
F |
10 |
2 |
8629 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
8655 |
104.1 |
-0.8 |
0.434 |
1 |
0 |
0 |
0.000 |
89 |
|
N |
9 |
2 |
8560 |
◊ |
I |
x,y,z |
1_555 |
11 |
5 |
8569 |
102.8 |
-0.8 |
0.446 |
1 |
0 |
0 |
0.000 |
90 |
|
Q |
8 |
2 |
8453 |
◊ |
F |
x,y,z |
1_555 |
11 |
5 |
8629 |
100.8 |
-0.8 |
0.440 |
1 |
0 |
0 |
0.000 |
91 |
|
T |
9 |
2 |
8383 |
◊ |
P |
x,y,z |
1_555 |
11 |
5 |
8709 |
98.6 |
-0.6 |
0.477 |
1 |
0 |
0 |
0.000 |
Average: |
106.1 |
-0.8 |
0.438 |
1 |
0 |
0 |
0.000 |
16 |
92 |
|
Q |
3 |
1 |
8453 |
◊ |
S |
-x+1,y-1/2,-z+2 |
2_647 |
6 |
2 |
8365 |
46.5 |
0.7 |
0.605 |
0 |
0 |
0 |
0.000 |
17 |
93 |
|
[3MQ]B:1172 |
1 |
1 |
340 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
8403 |
7.0 |
0.1 |
0.493 |
0 |
0 |
0 |
0.000 |
94 |
|
[3MQ]J:1172 |
1 |
1 |
342 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8375 |
6.9 |
0.1 |
0.466 |
0 |
0 |
0 |
0.000 |
95 |
|
[3MQ]K:1172 |
1 |
1 |
335 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
8625 |
6.6 |
0.1 |
0.470 |
0 |
0 |
0 |
0.000 |
96 |
|
[3MQ]A:1172 |
1 |
1 |
343 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
8415 |
6.2 |
0.1 |
0.477 |
0 |
0 |
0 |
0.000 |
97 |
|
[3MQ]L:1172 |
1 |
1 |
337 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8463 |
6.1 |
0.1 |
0.473 |
0 |
0 |
0 |
0.000 |
98 |
|
[3MQ]N:1172 |
1 |
1 |
337 |
◊ |
Q |
x,y,z |
1_555 |
1 |
1 |
8453 |
6.0 |
0.1 |
0.471 |
0 |
0 |
0 |
0.000 |
99 |
|
[3MQ]I:1172 |
1 |
1 |
339 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
8410 |
6.0 |
0.1 |
0.476 |
0 |
0 |
0 |
0.000 |
100 |
|
[3MQ]C:1172 |
1 |
1 |
336 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
8649 |
5.8 |
0.1 |
0.486 |
0 |
0 |
0 |
0.000 |
101 |
|
[3MQ]F:1172 |
1 |
1 |
335 |
◊ |
R |
x,y,z |
1_555 |
1 |
1 |
8375 |
5.6 |
0.1 |
0.479 |
0 |
0 |
0 |
0.000 |
102 |
|
[3MQ]D:1172 |
1 |
1 |
343 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
8340 |
5.0 |
0.1 |
0.488 |
0 |
0 |
0 |
0.000 |
103 |
|
[3MQ]M:1172 |
1 |
1 |
341 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
8569 |
4.4 |
0.1 |
0.512 |
0 |
0 |
0 |
0.000 |
104 |
|
[3MQ]Q:1172 |
1 |
1 |
344 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
8560 |
4.1 |
0.1 |
0.524 |
0 |
0 |
0 |
0.000 |
105 |
|
[3MQ]P:1172 |
1 |
1 |
341 |
◊ |
S |
x,y,z |
1_555 |
1 |
1 |
8365 |
4.0 |
0.1 |
0.521 |
0 |
0 |
0 |
0.000 |
106 |
|
[3MQ]T:1172 |
1 |
1 |
342 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
8383 |
3.0 |
0.1 |
0.565 |
0 |
0 |
0 |
0.000 |
107 |
|
[3MQ]R:1172 |
1 |
1 |
346 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
8629 |
1.6 |
0.0 |
0.559 |
0 |
0 |
0 |
0.000 |
108 |
|
[3MQ]S:1172 |
1 |
1 |
345 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
8709 |
1.2 |
0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
Average: |
5.0 |
0.1 |
0.502 |
0 |
0 |
0 |
0.000 |
18 |
109 |
|
[3MQ]H:1172 |
1 |
1 |
334 |
◊ |
T |
x,y,z |
1_555 |
1 |
1 |
8383 |
5.8 |
0.1 |
0.478 |
0 |
0 |
0 |
0.000 |
110 |
|
[3MQ]E:1172 |
1 |
1 |
335 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8655 |
5.7 |
0.1 |
0.480 |
0 |
0 |
0 |
0.000 |
111 |
|
[3MQ]O:1172 |
1 |
1 |
334 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
8620 |
4.5 |
0.1 |
0.522 |
0 |
0 |
0 |
0.000 |
Average: |
5.3 |
0.1 |
0.493 |
0 |
0 |
0 |
0.000 |
19 |
112 |
|
[3MQ]G:1172 |
1 |
1 |
343 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8684 |
4.3 |
0.1 |
0.513 |
0 |
0 |
0 |
0.000 |
|