## |
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 |
|
I |
170 |
49 |
10078 |
◊ |
H |
x,y,z |
1_555 |
160 |
42 |
13847 |
1591.6 |
-14.7 |
0.240 |
26 |
16 |
0 |
0.771 |
2 |
|
W |
172 |
51 |
10049 |
◊ |
V |
x,y,z |
1_555 |
158 |
42 |
13844 |
1579.3 |
-14.6 |
0.243 |
27 |
15 |
0 |
0.771 |
Average: |
1585.4 |
-14.7 |
0.242 |
27 |
16 |
0 |
0.771 |
2 |
3 |
|
C |
153 |
37 |
13017 |
◊ |
B |
x,y,z |
1_555 |
180 |
42 |
12922 |
1582.8 |
-10.5 |
0.250 |
20 |
3 |
0 |
0.315 |
4 |
|
Q |
149 |
34 |
13032 |
◊ |
P |
x,y,z |
1_555 |
173 |
42 |
12900 |
1531.5 |
-10.4 |
0.243 |
21 |
3 |
0 |
0.315 |
Average: |
1557.1 |
-10.5 |
0.246 |
21 |
3 |
0 |
0.315 |
3 |
5 |
|
Z |
157 |
39 |
12205 |
◊ |
H |
x,y,z |
1_555 |
139 |
35 |
13847 |
1442.2 |
-7.6 |
0.429 |
20 |
4 |
0 |
0.649 |
6 |
|
L |
159 |
38 |
12207 |
◊ |
V |
x,y,z |
1_555 |
138 |
35 |
13844 |
1430.7 |
-7.7 |
0.424 |
19 |
4 |
0 |
0.649 |
Average: |
1436.5 |
-7.6 |
0.427 |
20 |
4 |
0 |
0.649 |
4 |
7 |
|
U |
155 |
41 |
13007 |
◊ |
O |
x,y,z |
1_555 |
143 |
38 |
13496 |
1425.7 |
-17.8 |
0.075 |
14 |
1 |
0 |
0.229 |
8 |
|
G |
156 |
40 |
12983 |
◊ |
A |
x,y,z |
1_555 |
141 |
38 |
13508 |
1407.3 |
-17.6 |
0.079 |
13 |
1 |
0 |
0.229 |
Average: |
1416.5 |
-17.7 |
0.077 |
14 |
1 |
0 |
0.229 |
5 |
9 |
|
G |
141 |
33 |
12983 |
◊ |
F |
x,y,z |
1_555 |
157 |
39 |
12576 |
1396.5 |
-13.7 |
0.140 |
19 |
3 |
0 |
0.456 |
10 |
|
U |
141 |
32 |
13007 |
◊ |
T |
x,y,z |
1_555 |
160 |
39 |
12593 |
1394.2 |
-13.6 |
0.146 |
19 |
4 |
0 |
0.456 |
Average: |
1395.3 |
-13.7 |
0.143 |
19 |
4 |
0 |
0.456 |
6 |
11 |
|
B |
145 |
38 |
12922 |
◊ |
A |
x,y,z |
1_555 |
161 |
41 |
13508 |
1352.2 |
-16.2 |
0.113 |
14 |
1 |
0 |
0.356 |
12 |
|
P |
144 |
38 |
12900 |
◊ |
O |
x,y,z |
1_555 |
160 |
42 |
13496 |
1347.6 |
-16.2 |
0.110 |
14 |
1 |
0 |
0.356 |
Average: |
1349.9 |
-16.2 |
0.111 |
14 |
1 |
0 |
0.356 |
7 |
13 |
|
T |
150 |
34 |
12593 |
◊ |
S |
x,y,z |
1_555 |
150 |
39 |
11937 |
1348.3 |
-13.2 |
0.136 |
14 |
4 |
0 |
0.402 |
14 |
|
F |
150 |
34 |
12576 |
◊ |
E |
x,y,z |
1_555 |
144 |
39 |
11955 |
1343.1 |
-13.0 |
0.137 |
14 |
3 |
0 |
0.402 |
Average: |
1345.7 |
-13.1 |
0.136 |
14 |
4 |
0 |
0.402 |
8 |
15 |
|
D |
131 |
34 |
12392 |
◊ |
C |
x,y,z |
1_555 |
144 |
39 |
13017 |
1313.1 |
-12.1 |
0.133 |
16 |
2 |
0 |
0.552 |
16 |
|
R |
130 |
34 |
12388 |
◊ |
Q |
x,y,z |
1_555 |
144 |
39 |
13032 |
1308.2 |
-12.0 |
0.132 |
17 |
2 |
0 |
0.552 |
Average: |
1310.7 |
-12.1 |
0.133 |
17 |
2 |
0 |
0.552 |
9 |
17 |
|
N |
133 |
37 |
9674 |
◊ |
a |
x,y,z |
1_555 |
130 |
27 |
12666 |
1275.5 |
-8.9 |
0.303 |
22 |
3 |
0 |
1.000 |
18 |
|
b |
124 |
34 |
9674 |
◊ |
M |
x,y,z |
1_555 |
123 |
25 |
12329 |
1204.4 |
-8.6 |
0.281 |
18 |
3 |
0 |
1.000 |
Average: |
1239.9 |
-8.8 |
0.292 |
20 |
3 |
0 |
1.000 |
10 |
19 |
|
S |
105 |
30 |
11937 |
◊ |
R |
x,y,z |
1_555 |
119 |
34 |
12388 |
1043.6 |
-9.9 |
0.157 |
13 |
4 |
0 |
1.000 |
20 |
|
E |
103 |
30 |
11955 |
◊ |
D |
x,y,z |
1_555 |
117 |
33 |
12392 |
1025.5 |
-9.9 |
0.153 |
12 |
4 |
0 |
1.000 |
Average: |
1034.5 |
-9.9 |
0.155 |
13 |
4 |
0 |
1.000 |
11 |
21 |
|
a |
97 |
29 |
12666 |
◊ |
Z |
x,y,z |
1_555 |
99 |
29 |
12205 |
966.3 |
0.9 |
0.696 |
14 |
9 |
0 |
0.099 |
22 |
|
M |
97 |
28 |
12329 |
◊ |
L |
x,y,z |
1_555 |
100 |
30 |
12207 |
963.3 |
0.8 |
0.699 |
14 |
10 |
0 |
0.099 |
Average: |
964.8 |
0.9 |
0.697 |
14 |
10 |
0 |
0.099 |
12 |
23 |
|
Y |
105 |
28 |
10377 |
◊ |
I |
x,y,z |
1_555 |
104 |
24 |
10078 |
954.8 |
-3.0 |
0.596 |
19 |
5 |
0 |
0.389 |
24 |
|
K |
105 |
28 |
10358 |
◊ |
W |
x,y,z |
1_555 |
101 |
24 |
10049 |
943.6 |
-2.1 |
0.647 |
19 |
5 |
0 |
0.389 |
Average: |
949.2 |
-2.6 |
0.621 |
19 |
5 |
0 |
0.389 |
13 |
25 |
|
a |
90 |
24 |
12666 |
◊ |
H |
x,y,z |
1_555 |
101 |
27 |
13847 |
899.6 |
-11.3 |
0.157 |
5 |
2 |
0 |
0.172 |
26 |
|
M |
85 |
22 |
12329 |
◊ |
V |
x,y,z |
1_555 |
94 |
25 |
13844 |
858.2 |
-10.0 |
0.205 |
4 |
1 |
0 |
0.172 |
Average: |
878.9 |
-10.7 |
0.181 |
5 |
2 |
0 |
0.172 |
14 |
27 |
|
K |
82 |
20 |
10358 |
◊ |
X |
x,y,z |
1_555 |
83 |
19 |
10294 |
722.4 |
-5.1 |
0.332 |
8 |
10 |
0 |
0.209 |
28 |
|
Y |
83 |
20 |
10377 |
◊ |
J |
x,y,z |
1_555 |
82 |
19 |
10287 |
716.5 |
-5.6 |
0.301 |
8 |
9 |
0 |
0.209 |
Average: |
719.5 |
-5.3 |
0.317 |
8 |
10 |
0 |
0.209 |
15 |
29 |
|
X |
69 |
19 |
10294 |
◊ |
J |
x,y,z |
1_555 |
68 |
19 |
10287 |
700.6 |
-2.5 |
0.449 |
15 |
2 |
0 |
0.058 |
16 |
30 |
|
Z |
75 |
21 |
12205 |
◊ |
Y |
x,y,z |
1_555 |
75 |
21 |
10377 |
695.4 |
-3.7 |
0.325 |
13 |
5 |
0 |
0.125 |
31 |
|
L |
73 |
21 |
12207 |
◊ |
K |
x,y,z |
1_555 |
74 |
21 |
10358 |
686.4 |
-3.6 |
0.330 |
13 |
5 |
0 |
0.125 |
Average: |
690.9 |
-3.7 |
0.327 |
13 |
5 |
0 |
0.125 |
17 |
32 |
|
Y |
77 |
23 |
10377 |
◊ |
X |
x,y,z |
1_555 |
66 |
18 |
10294 |
691.5 |
-0.7 |
0.637 |
8 |
5 |
0 |
0.065 |
33 |
|
K |
77 |
23 |
10358 |
◊ |
J |
x,y,z |
1_555 |
65 |
18 |
10287 |
683.0 |
-0.9 |
0.626 |
9 |
5 |
0 |
0.065 |
Average: |
687.3 |
-0.8 |
0.632 |
9 |
5 |
0 |
0.065 |
18 |
34 |
|
b |
69 |
19 |
9674 |
◊ |
a |
x,y,z |
1_555 |
70 |
21 |
12666 |
664.6 |
-1.2 |
0.562 |
9 |
6 |
0 |
0.052 |
35 |
|
N |
67 |
19 |
9674 |
◊ |
M |
x,y,z |
1_555 |
71 |
21 |
12329 |
664.1 |
-1.2 |
0.566 |
9 |
5 |
0 |
0.052 |
Average: |
664.4 |
-1.2 |
0.564 |
9 |
6 |
0 |
0.052 |
19 |
36 |
|
V |
60 |
17 |
13844 |
◊ |
O |
x,y,z |
1_555 |
76 |
19 |
13496 |
661.1 |
-4.3 |
0.458 |
10 |
2 |
0 |
0.082 |
37 |
|
H |
61 |
17 |
13847 |
◊ |
A |
x,y,z |
1_555 |
73 |
19 |
13508 |
648.4 |
-5.3 |
0.420 |
10 |
2 |
0 |
0.082 |
Average: |
654.8 |
-4.8 |
0.439 |
10 |
2 |
0 |
0.082 |
20 |
38 |
|
Z |
78 |
19 |
12205 |
◊ |
I |
x,y,z |
1_555 |
81 |
20 |
10078 |
651.0 |
-3.9 |
0.379 |
6 |
6 |
0 |
0.106 |
39 |
|
L |
76 |
19 |
12207 |
◊ |
W |
x,y,z |
1_555 |
81 |
20 |
10049 |
647.1 |
-3.7 |
0.392 |
6 |
6 |
0 |
0.106 |
Average: |
649.1 |
-3.8 |
0.386 |
6 |
6 |
0 |
0.106 |
21 |
40 |
|
H |
62 |
15 |
13847 |
◊ |
G |
x,y,z |
1_555 |
71 |
18 |
12983 |
647.3 |
-0.3 |
0.620 |
10 |
13 |
0 |
0.059 |
41 |
|
V |
61 |
15 |
13844 |
◊ |
U |
x,y,z |
1_555 |
71 |
18 |
13007 |
642.3 |
-0.3 |
0.630 |
11 |
12 |
0 |
0.059 |
Average: |
644.8 |
-0.3 |
0.625 |
11 |
13 |
0 |
0.059 |
22 |
42 |
|
N |
70 |
16 |
9674 |
◊ |
b |
x,y,z |
1_555 |
71 |
16 |
9674 |
641.5 |
-4.1 |
0.356 |
10 |
4 |
0 |
0.039 |
23 |
43 |
|
a |
64 |
18 |
12666 |
◊ |
S |
x,y,z |
1_555 |
57 |
14 |
11937 |
599.7 |
-2.7 |
0.421 |
6 |
2 |
0 |
0.020 |
44 |
|
M |
64 |
18 |
12329 |
◊ |
E |
x,y,z |
1_555 |
55 |
14 |
11955 |
583.2 |
-2.6 |
0.435 |
7 |
2 |
0 |
0.020 |
Average: |
591.5 |
-2.7 |
0.428 |
7 |
2 |
0 |
0.020 |
24 |
45 |
|
J |
59 |
20 |
10287 |
◊ |
I |
x,y,z |
1_555 |
66 |
24 |
10078 |
587.4 |
-3.9 |
0.346 |
8 |
4 |
0 |
0.176 |
46 |
|
X |
57 |
19 |
10294 |
◊ |
W |
x,y,z |
1_555 |
63 |
24 |
10049 |
581.3 |
-3.9 |
0.337 |
9 |
5 |
0 |
0.176 |
Average: |
584.4 |
-3.9 |
0.342 |
9 |
5 |
0 |
0.176 |
25 |
47 |
|
J |
59 |
15 |
10287 |
◊ |
B |
x,y,z |
1_555 |
53 |
13 |
12922 |
556.4 |
0.2 |
0.627 |
10 |
4 |
0 |
0.012 |
48 |
|
X |
60 |
16 |
10294 |
◊ |
P |
x,y,z |
1_555 |
54 |
13 |
12900 |
554.8 |
0.4 |
0.641 |
10 |
4 |
0 |
0.012 |
Average: |
555.6 |
0.3 |
0.634 |
10 |
4 |
0 |
0.012 |
26 |
49 |
|
I |
60 |
17 |
10078 |
◊ |
A |
x,y,z |
1_555 |
48 |
13 |
13508 |
547.1 |
-2.9 |
0.493 |
7 |
2 |
0 |
0.040 |
50 |
|
W |
61 |
17 |
10049 |
◊ |
O |
x,y,z |
1_555 |
50 |
13 |
13496 |
541.6 |
-2.8 |
0.500 |
7 |
2 |
0 |
0.040 |
Average: |
544.4 |
-2.9 |
0.496 |
7 |
2 |
0 |
0.040 |
27 |
51 |
|
Z |
59 |
14 |
12205 |
◊ |
R |
x,y,z |
1_555 |
57 |
14 |
12388 |
532.4 |
1.9 |
0.762 |
10 |
3 |
0 |
0.011 |
52 |
|
L |
57 |
14 |
12207 |
◊ |
D |
x,y,z |
1_555 |
55 |
13 |
12392 |
521.7 |
1.7 |
0.754 |
10 |
3 |
0 |
0.011 |
Average: |
527.0 |
1.8 |
0.758 |
10 |
3 |
0 |
0.011 |
28 |
53 |
|
N |
52 |
20 |
9674 |
◊ |
H |
x,y,z |
1_555 |
54 |
20 |
13847 |
502.3 |
-2.6 |
0.540 |
8 |
5 |
0 |
0.105 |
54 |
|
b |
53 |
19 |
9674 |
◊ |
V |
x,y,z |
1_555 |
55 |
20 |
13844 |
496.7 |
-2.6 |
0.548 |
9 |
5 |
0 |
0.105 |
Average: |
499.5 |
-2.6 |
0.544 |
9 |
5 |
0 |
0.105 |
29 |
55 |
|
W |
50 |
11 |
10049 |
◊ |
P |
x,y,z |
1_555 |
55 |
13 |
12900 |
491.4 |
-1.9 |
0.453 |
5 |
1 |
0 |
0.011 |
56 |
|
I |
48 |
11 |
10078 |
◊ |
B |
x,y,z |
1_555 |
53 |
13 |
12922 |
482.5 |
-1.9 |
0.448 |
5 |
1 |
0 |
0.011 |
Average: |
487.0 |
-1.9 |
0.450 |
5 |
1 |
0 |
0.011 |
30 |
57 |
|
b |
58 |
16 |
9674 |
◊ |
T |
x,y,z |
1_555 |
48 |
12 |
12593 |
488.0 |
-1.7 |
0.510 |
8 |
1 |
0 |
0.014 |
58 |
|
N |
55 |
16 |
9674 |
◊ |
F |
x,y,z |
1_555 |
48 |
12 |
12576 |
486.5 |
-1.6 |
0.509 |
7 |
1 |
0 |
0.014 |
Average: |
487.3 |
-1.7 |
0.509 |
8 |
1 |
0 |
0.014 |
31 |
59 |
|
N |
54 |
13 |
9674 |
◊ |
G |
x,y,z |
1_555 |
51 |
13 |
12983 |
464.7 |
-0.8 |
0.577 |
4 |
2 |
0 |
0.027 |
60 |
|
b |
53 |
13 |
9674 |
◊ |
U |
x,y,z |
1_555 |
50 |
13 |
13007 |
461.3 |
-1.5 |
0.512 |
4 |
2 |
0 |
0.027 |
Average: |
463.0 |
-1.1 |
0.544 |
4 |
2 |
0 |
0.027 |
32 |
61 |
|
M |
48 |
12 |
12329 |
◊ |
F |
x,y,z |
1_555 |
57 |
16 |
12576 |
449.5 |
-0.1 |
0.680 |
7 |
6 |
0 |
0.012 |
62 |
|
a |
46 |
12 |
12666 |
◊ |
T |
x,y,z |
1_555 |
56 |
16 |
12593 |
440.5 |
0.1 |
0.686 |
8 |
7 |
0 |
0.012 |
Average: |
445.0 |
-0.0 |
0.683 |
8 |
7 |
0 |
0.012 |
33 |
63 |
|
K |
38 |
10 |
10358 |
◊ |
D |
x,y,z |
1_555 |
47 |
13 |
12392 |
432.2 |
-2.6 |
0.426 |
4 |
7 |
0 |
0.019 |
64 |
|
Y |
38 |
10 |
10377 |
◊ |
R |
x,y,z |
1_555 |
45 |
12 |
12388 |
430.4 |
-2.8 |
0.405 |
4 |
7 |
0 |
0.019 |
Average: |
431.3 |
-2.7 |
0.415 |
4 |
7 |
0 |
0.019 |
34 |
65 |
|
P |
40 |
15 |
12900 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
50 |
14 |
12392 |
421.7 |
-2.5 |
0.411 |
4 |
0 |
0 |
0.000 |
35 |
66 |
|
J |
40 |
9 |
10287 |
◊ |
C |
x,y,z |
1_555 |
45 |
11 |
13017 |
407.2 |
-2.6 |
0.286 |
6 |
4 |
0 |
0.016 |
67 |
|
X |
39 |
9 |
10294 |
◊ |
Q |
x,y,z |
1_555 |
44 |
11 |
13032 |
406.2 |
-2.7 |
0.276 |
6 |
4 |
0 |
0.016 |
Average: |
406.7 |
-2.6 |
0.281 |
6 |
4 |
0 |
0.016 |
36 |
68 |
|
L |
32 |
7 |
12207 |
◊ |
E |
x,y,z |
1_555 |
45 |
12 |
11955 |
355.2 |
0.0 |
0.539 |
4 |
2 |
0 |
0.007 |
69 |
|
Z |
32 |
7 |
12205 |
◊ |
S |
x,y,z |
1_555 |
47 |
12 |
11937 |
350.3 |
0.1 |
0.542 |
4 |
2 |
0 |
0.007 |
Average: |
352.8 |
0.0 |
0.541 |
4 |
2 |
0 |
0.007 |
37 |
70 |
|
K |
33 |
13 |
10358 |
◊ |
C |
x,y,z |
1_555 |
38 |
10 |
13017 |
328.3 |
1.8 |
0.788 |
6 |
8 |
0 |
0.006 |
71 |
|
Y |
33 |
13 |
10377 |
◊ |
Q |
x,y,z |
1_555 |
39 |
11 |
13032 |
327.6 |
1.9 |
0.794 |
6 |
8 |
0 |
0.006 |
Average: |
328.0 |
1.9 |
0.791 |
6 |
8 |
0 |
0.006 |
38 |
72 |
|
V |
27 |
6 |
13844 |
◊ |
P |
x,y,z |
1_555 |
36 |
11 |
12900 |
281.5 |
-3.1 |
0.349 |
1 |
0 |
0 |
0.009 |
73 |
|
H |
23 |
4 |
13847 |
◊ |
B |
x,y,z |
1_555 |
37 |
11 |
12922 |
276.4 |
-3.0 |
0.334 |
1 |
0 |
0 |
0.009 |
Average: |
279.0 |
-3.0 |
0.342 |
1 |
0 |
0 |
0.009 |
39 |
74 |
|
U |
35 |
12 |
13007 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
13 |
13508 |
257.1 |
1.7 |
0.788 |
2 |
1 |
0 |
0.000 |
40 |
75 |
|
U |
35 |
12 |
13007 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
15 |
12983 |
251.9 |
1.7 |
0.756 |
2 |
0 |
0 |
0.000 |
41 |
76 |
|
R |
37 |
12 |
12388 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
20 |
7 |
12922 |
225.9 |
-2.4 |
0.161 |
2 |
0 |
0 |
0.000 |
42 |
77 |
|
T |
25 |
8 |
12593 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
10 |
12576 |
182.0 |
1.0 |
0.743 |
1 |
1 |
0 |
0.000 |
43 |
78 |
|
T |
15 |
4 |
12593 |
◊ |
O |
x,y,z |
1_555 |
16 |
4 |
13496 |
151.4 |
-1.8 |
0.372 |
2 |
0 |
0 |
0.026 |
79 |
|
F |
14 |
4 |
12576 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
13508 |
147.8 |
-1.7 |
0.387 |
2 |
0 |
0 |
0.026 |
Average: |
149.6 |
-1.8 |
0.380 |
2 |
0 |
0 |
0.026 |
44 |
80 |
|
E |
18 |
7 |
11955 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
12922 |
149.8 |
0.9 |
0.651 |
2 |
1 |
0 |
0.004 |
81 |
|
S |
16 |
7 |
11937 |
◊ |
P |
x,y,z |
1_555 |
13 |
4 |
12900 |
138.1 |
0.7 |
0.651 |
2 |
1 |
0 |
0.004 |
Average: |
143.9 |
0.8 |
0.651 |
2 |
1 |
0 |
0.004 |
45 |
82 |
|
T |
16 |
6 |
12593 |
◊ |
P |
x,y,z |
1_555 |
15 |
4 |
12900 |
137.0 |
0.0 |
0.636 |
1 |
0 |
0 |
0.007 |
83 |
|
F |
15 |
5 |
12576 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
12922 |
136.5 |
-0.0 |
0.627 |
1 |
0 |
0 |
0.007 |
Average: |
136.8 |
-0.0 |
0.631 |
1 |
0 |
0 |
0.007 |
46 |
84 |
|
U |
15 |
3 |
13007 |
◊ |
P |
x,y,z |
1_555 |
14 |
2 |
12900 |
132.4 |
-2.7 |
0.147 |
1 |
0 |
0 |
0.030 |
85 |
|
G |
14 |
3 |
12983 |
◊ |
B |
x,y,z |
1_555 |
13 |
2 |
12922 |
125.6 |
-2.7 |
0.140 |
1 |
0 |
0 |
0.030 |
Average: |
129.0 |
-2.7 |
0.144 |
1 |
0 |
0 |
0.030 |
47 |
86 |
|
R |
15 |
5 |
12388 |
◊ |
P |
x,y,z |
1_555 |
14 |
3 |
12900 |
123.8 |
0.6 |
0.707 |
1 |
2 |
0 |
0.004 |
87 |
|
D |
13 |
4 |
12392 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
12922 |
121.7 |
0.5 |
0.689 |
1 |
2 |
0 |
0.004 |
Average: |
122.8 |
0.6 |
0.698 |
1 |
2 |
0 |
0.004 |
48 |
88 |
|
T |
13 |
4 |
12593 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
12983 |
102.0 |
0.2 |
0.574 |
2 |
0 |
0 |
0.000 |
49 |
89 |
|
K |
11 |
3 |
10358 |
◊ |
V |
x,y,z |
1_555 |
5 |
2 |
13844 |
96.8 |
-1.5 |
0.260 |
0 |
0 |
0 |
0.011 |
90 |
|
Y |
11 |
3 |
10377 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
13847 |
93.3 |
-1.5 |
0.263 |
0 |
0 |
0 |
0.011 |
Average: |
95.0 |
-1.5 |
0.262 |
0 |
0 |
0 |
0.011 |
50 |
91 |
|
Q |
16 |
4 |
13032 |
◊ |
O |
x,y,z |
1_555 |
9 |
3 |
13496 |
95.0 |
-1.4 |
0.354 |
0 |
0 |
0 |
0.021 |
92 |
|
C |
16 |
4 |
13017 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13508 |
89.5 |
-1.2 |
0.393 |
0 |
0 |
0 |
0.021 |
Average: |
92.2 |
-1.3 |
0.374 |
0 |
0 |
0 |
0.021 |
51 |
93 |
|
T |
6 |
2 |
12593 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
11955 |
71.9 |
-0.3 |
0.493 |
1 |
0 |
0 |
0.000 |
52 |
94 |
|
E |
9 |
3 |
11955 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
13508 |
70.2 |
-0.2 |
0.480 |
1 |
0 |
0 |
0.007 |
95 |
|
S |
8 |
3 |
11937 |
◊ |
O |
x,y,z |
1_555 |
7 |
2 |
13496 |
68.3 |
-0.2 |
0.460 |
1 |
0 |
0 |
0.007 |
Average: |
69.2 |
-0.2 |
0.470 |
1 |
0 |
0 |
0.007 |
53 |
96 |
|
a |
7 |
3 |
12666 |
◊ |
G |
x,y,z |
1_555 |
6 |
4 |
12983 |
69.3 |
1.1 |
0.726 |
1 |
0 |
0 |
0.000 |
54 |
97 |
|
[CL]G:302 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
6 |
2 |
12983 |
57.3 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.142 |
98 |
|
[CL]U:301 |
1 |
1 |
125 |
f |
U |
x,y,z |
1_555 |
7 |
2 |
13007 |
55.1 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.142 |
Average: |
56.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.142 |
55 |
99 |
|
U |
5 |
2 |
13007 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
12576 |
56.5 |
0.5 |
0.734 |
0 |
0 |
0 |
0.000 |
56 |
100 |
|
[MG]I:301 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
15 |
8 |
10078 |
56.2 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.272 |
101 |
|
[MG]W:301 |
1 |
1 |
98 |
f |
W |
x,y,z |
1_555 |
15 |
8 |
10049 |
54.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.272 |
Average: |
55.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.272 |
57 |
102 |
|
[MG]Z:301 |
1 |
1 |
98 |
f |
Z |
x,y,z |
1_555 |
12 |
7 |
12205 |
53.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.322 |
58 |
103 |
|
[MG]G:301 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
5 |
4 |
12983 |
50.1 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.163 |
59 |
104 |
|
[MG]N:201 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
10 |
7 |
9674 |
49.3 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.249 |
60 |
105 |
|
[MG]V:301 |
1 |
1 |
98 |
f |
V |
x,y,z |
1_555 |
12 |
8 |
13844 |
41.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.256 |
61 |
106 |
|
[MG]Y:301 |
1 |
1 |
98 |
f |
Y |
x,y,z |
1_555 |
8 |
6 |
10377 |
40.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.213 |
107 |
|
[MG]K:301 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
8 |
6 |
10358 |
40.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.213 |
Average: |
40.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.213 |
62 |
108 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
V |
x,y,z |
1_555 |
3 |
1 |
13844 |
35.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.032 |
109 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
13847 |
33.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
34.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.032 |
63 |
110 |
|
R |
3 |
1 |
12388 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
13496 |
30.9 |
0.4 |
0.746 |
1 |
0 |
0 |
0.000 |
111 |
|
D |
3 |
1 |
12392 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13508 |
28.0 |
0.4 |
0.771 |
1 |
0 |
0 |
0.000 |
Average: |
29.4 |
0.4 |
0.758 |
1 |
0 |
0 |
0.000 |
64 |
112 |
|
[MG]K:301 |
1 |
1 |
98 |
◊ |
W |
x,y,z |
1_555 |
4 |
1 |
10049 |
28.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.104 |
113 |
|
[MG]Y:301 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
4 |
1 |
10078 |
27.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
27.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.104 |
65 |
114 |
|
[MG]V:301 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
12207 |
27.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.110 |
66 |
115 |
|
[MG]N:201 |
1 |
1 |
98 |
◊ |
a |
x,y,z |
1_555 |
2 |
2 |
12666 |
23.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.093 |
67 |
116 |
|
[MG]W:301 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
3 |
2 |
10358 |
12.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.041 |
117 |
|
[MG]I:301 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
3 |
2 |
10377 |
11.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.041 |
Average: |
12.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.041 |
68 |
118 |
|
[MG]Z:301 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
13847 |
12.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.029 |
69 |
119 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
13496 |
12.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.011 |
120 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13508 |
9.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
11.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.011 |
|