## |
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 |
175 |
50 |
9962 |
◊ |
H |
x,y,z |
1_555 |
158 |
41 |
13899 |
1617.0 |
-14.9 |
0.234 |
27 |
18 |
0 |
0.819 |
2 |
|
W |
180 |
53 |
9944 |
◊ |
V |
x,y,z |
1_555 |
154 |
40 |
13922 |
1598.5 |
-14.3 |
0.245 |
29 |
18 |
0 |
0.819 |
Average: |
1607.7 |
-14.6 |
0.239 |
28 |
18 |
0 |
0.819 |
2 |
3 |
|
C |
153 |
35 |
12915 |
◊ |
B |
x,y,z |
1_555 |
177 |
42 |
12804 |
1561.8 |
-10.5 |
0.246 |
22 |
3 |
0 |
0.329 |
4 |
|
Q |
149 |
34 |
12924 |
◊ |
P |
x,y,z |
1_555 |
174 |
42 |
12789 |
1520.8 |
-10.4 |
0.243 |
21 |
3 |
0 |
0.329 |
Average: |
1541.3 |
-10.4 |
0.244 |
22 |
3 |
0 |
0.329 |
3 |
5 |
|
L |
161 |
38 |
12103 |
◊ |
V |
x,y,z |
1_555 |
145 |
36 |
13922 |
1481.3 |
-8.3 |
0.396 |
17 |
4 |
0 |
0.644 |
6 |
|
Z |
159 |
38 |
12085 |
◊ |
H |
x,y,z |
1_555 |
146 |
36 |
13899 |
1472.1 |
-8.1 |
0.414 |
18 |
4 |
0 |
0.644 |
Average: |
1476.7 |
-8.2 |
0.405 |
18 |
4 |
0 |
0.644 |
4 |
7 |
|
U |
154 |
41 |
12866 |
◊ |
O |
x,y,z |
1_555 |
142 |
38 |
13392 |
1412.0 |
-17.6 |
0.077 |
14 |
2 |
0 |
0.250 |
8 |
|
G |
154 |
40 |
12859 |
◊ |
A |
x,y,z |
1_555 |
139 |
37 |
13404 |
1386.8 |
-17.2 |
0.083 |
13 |
2 |
0 |
0.250 |
Average: |
1399.4 |
-17.4 |
0.080 |
14 |
2 |
0 |
0.250 |
5 |
9 |
|
G |
140 |
32 |
12859 |
◊ |
F |
x,y,z |
1_555 |
158 |
39 |
12480 |
1369.3 |
-13.3 |
0.153 |
19 |
3 |
0 |
0.533 |
10 |
|
U |
140 |
32 |
12866 |
◊ |
T |
x,y,z |
1_555 |
157 |
39 |
12474 |
1359.5 |
-13.4 |
0.147 |
19 |
4 |
0 |
0.533 |
Average: |
1364.4 |
-13.4 |
0.150 |
19 |
4 |
0 |
0.533 |
6 |
11 |
|
b |
139 |
40 |
9621 |
◊ |
M |
x,y,z |
1_555 |
137 |
29 |
12661 |
1332.3 |
-8.9 |
0.315 |
24 |
3 |
0 |
1.000 |
12 |
|
N |
142 |
39 |
9617 |
◊ |
a |
x,y,z |
1_555 |
137 |
29 |
12662 |
1330.9 |
-9.2 |
0.304 |
23 |
3 |
0 |
1.000 |
Average: |
1331.6 |
-9.0 |
0.310 |
24 |
3 |
0 |
1.000 |
7 |
13 |
|
P |
146 |
38 |
12789 |
◊ |
O |
x,y,z |
1_555 |
158 |
42 |
13392 |
1331.8 |
-16.1 |
0.115 |
14 |
1 |
0 |
0.355 |
14 |
|
B |
145 |
38 |
12804 |
◊ |
A |
x,y,z |
1_555 |
155 |
39 |
13404 |
1328.4 |
-16.0 |
0.118 |
12 |
1 |
0 |
0.355 |
Average: |
1330.1 |
-16.0 |
0.117 |
13 |
1 |
0 |
0.355 |
8 |
15 |
|
F |
148 |
33 |
12480 |
◊ |
E |
x,y,z |
1_555 |
143 |
39 |
11844 |
1320.9 |
-12.8 |
0.139 |
14 |
3 |
0 |
0.467 |
16 |
|
T |
145 |
33 |
12474 |
◊ |
S |
x,y,z |
1_555 |
144 |
39 |
11834 |
1320.4 |
-12.9 |
0.135 |
14 |
4 |
0 |
0.467 |
Average: |
1320.7 |
-12.9 |
0.137 |
14 |
4 |
0 |
0.467 |
9 |
17 |
|
D |
127 |
34 |
12271 |
◊ |
C |
x,y,z |
1_555 |
138 |
37 |
12915 |
1275.2 |
-11.5 |
0.140 |
17 |
2 |
0 |
0.553 |
18 |
|
R |
128 |
34 |
12262 |
◊ |
Q |
x,y,z |
1_555 |
140 |
37 |
12924 |
1272.2 |
-11.6 |
0.140 |
17 |
2 |
0 |
0.553 |
Average: |
1273.7 |
-11.5 |
0.140 |
17 |
2 |
0 |
0.553 |
10 |
19 |
|
S |
105 |
30 |
11834 |
◊ |
R |
x,y,z |
1_555 |
113 |
33 |
12262 |
1008.0 |
-9.7 |
0.153 |
12 |
4 |
0 |
1.000 |
20 |
|
E |
104 |
30 |
11844 |
◊ |
D |
x,y,z |
1_555 |
116 |
32 |
12271 |
997.2 |
-9.8 |
0.155 |
12 |
4 |
0 |
1.000 |
Average: |
1002.6 |
-9.8 |
0.154 |
12 |
4 |
0 |
1.000 |
11 |
21 |
|
K |
104 |
28 |
10314 |
◊ |
W |
x,y,z |
1_555 |
101 |
24 |
9944 |
951.8 |
-2.9 |
0.580 |
18 |
5 |
0 |
0.406 |
22 |
|
Y |
104 |
28 |
10317 |
◊ |
I |
x,y,z |
1_555 |
103 |
24 |
9962 |
947.8 |
-3.1 |
0.576 |
20 |
5 |
0 |
0.406 |
Average: |
949.8 |
-3.0 |
0.578 |
19 |
5 |
0 |
0.406 |
12 |
23 |
|
a |
95 |
28 |
12662 |
◊ |
Z |
x,y,z |
1_555 |
98 |
29 |
12085 |
942.2 |
0.9 |
0.696 |
14 |
9 |
0 |
0.150 |
24 |
|
M |
96 |
28 |
12661 |
◊ |
L |
x,y,z |
1_555 |
98 |
29 |
12103 |
937.6 |
0.9 |
0.693 |
15 |
8 |
0 |
0.150 |
Average: |
939.9 |
0.9 |
0.695 |
15 |
9 |
0 |
0.150 |
13 |
25 |
|
M |
92 |
24 |
12661 |
◊ |
V |
x,y,z |
1_555 |
101 |
27 |
13922 |
914.0 |
-11.1 |
0.174 |
5 |
1 |
0 |
1.000 |
26 |
|
a |
89 |
24 |
12662 |
◊ |
H |
x,y,z |
1_555 |
101 |
26 |
13899 |
898.2 |
-11.2 |
0.159 |
5 |
2 |
0 |
1.000 |
Average: |
906.1 |
-11.2 |
0.167 |
5 |
2 |
0 |
1.000 |
14 |
27 |
|
K |
85 |
20 |
10314 |
◊ |
X |
x,y,z |
1_555 |
84 |
19 |
10254 |
730.3 |
-6.0 |
0.273 |
7 |
9 |
0 |
0.220 |
28 |
|
Y |
84 |
20 |
10317 |
◊ |
J |
x,y,z |
1_555 |
83 |
19 |
10241 |
723.7 |
-4.2 |
0.368 |
6 |
9 |
0 |
0.220 |
Average: |
727.0 |
-5.1 |
0.321 |
7 |
9 |
0 |
0.220 |
15 |
29 |
|
X |
70 |
19 |
10254 |
◊ |
J |
x,y,z |
1_555 |
69 |
19 |
10241 |
696.7 |
-2.8 |
0.428 |
16 |
2 |
0 |
0.079 |
16 |
30 |
|
L |
70 |
21 |
12103 |
◊ |
K |
x,y,z |
1_555 |
73 |
21 |
10314 |
677.7 |
-3.2 |
0.353 |
12 |
5 |
0 |
0.108 |
31 |
|
Z |
72 |
20 |
12085 |
◊ |
Y |
x,y,z |
1_555 |
74 |
21 |
10317 |
676.1 |
-3.0 |
0.368 |
12 |
5 |
0 |
0.108 |
Average: |
676.9 |
-3.1 |
0.361 |
12 |
5 |
0 |
0.108 |
17 |
32 |
|
Y |
72 |
23 |
10317 |
◊ |
X |
x,y,z |
1_555 |
65 |
18 |
10254 |
669.0 |
0.1 |
0.671 |
11 |
11 |
0 |
0.099 |
33 |
|
K |
73 |
23 |
10314 |
◊ |
J |
x,y,z |
1_555 |
63 |
18 |
10241 |
662.4 |
0.1 |
0.671 |
11 |
10 |
0 |
0.099 |
Average: |
665.7 |
0.1 |
0.671 |
11 |
11 |
0 |
0.099 |
18 |
34 |
|
Z |
80 |
19 |
12085 |
◊ |
I |
x,y,z |
1_555 |
85 |
20 |
9962 |
660.5 |
-4.1 |
0.378 |
6 |
6 |
0 |
0.118 |
35 |
|
L |
79 |
19 |
12103 |
◊ |
W |
x,y,z |
1_555 |
87 |
20 |
9944 |
660.3 |
-3.9 |
0.386 |
6 |
6 |
0 |
0.118 |
Average: |
660.4 |
-4.0 |
0.382 |
6 |
6 |
0 |
0.118 |
19 |
36 |
|
V |
59 |
17 |
13922 |
◊ |
O |
x,y,z |
1_555 |
73 |
19 |
13392 |
657.2 |
-4.0 |
0.459 |
11 |
2 |
0 |
0.084 |
37 |
|
H |
60 |
17 |
13899 |
◊ |
A |
x,y,z |
1_555 |
71 |
19 |
13404 |
641.6 |
-4.0 |
0.469 |
10 |
2 |
0 |
0.084 |
Average: |
649.4 |
-4.0 |
0.464 |
11 |
2 |
0 |
0.084 |
20 |
38 |
|
H |
62 |
15 |
13899 |
◊ |
G |
x,y,z |
1_555 |
71 |
18 |
12859 |
642.4 |
-0.4 |
0.613 |
10 |
13 |
0 |
0.064 |
39 |
|
V |
61 |
15 |
13922 |
◊ |
U |
x,y,z |
1_555 |
70 |
18 |
12866 |
637.1 |
-0.2 |
0.625 |
11 |
12 |
0 |
0.064 |
Average: |
639.7 |
-0.3 |
0.619 |
11 |
13 |
0 |
0.064 |
21 |
40 |
|
N |
70 |
16 |
9617 |
◊ |
b |
x,y,z |
1_555 |
70 |
16 |
9621 |
636.4 |
-4.1 |
0.358 |
12 |
4 |
0 |
0.057 |
22 |
41 |
|
b |
68 |
20 |
9621 |
◊ |
a |
x,y,z |
1_555 |
67 |
20 |
12662 |
633.9 |
-1.0 |
0.579 |
9 |
4 |
0 |
0.063 |
42 |
|
N |
66 |
19 |
9617 |
◊ |
M |
x,y,z |
1_555 |
65 |
20 |
12661 |
633.0 |
-1.0 |
0.571 |
9 |
4 |
0 |
0.063 |
Average: |
633.4 |
-1.0 |
0.575 |
9 |
4 |
0 |
0.063 |
23 |
43 |
|
a |
64 |
18 |
12662 |
◊ |
S |
x,y,z |
1_555 |
57 |
14 |
11834 |
599.5 |
-2.6 |
0.431 |
6 |
2 |
0 |
0.020 |
44 |
|
M |
64 |
17 |
12661 |
◊ |
E |
x,y,z |
1_555 |
53 |
14 |
11844 |
578.2 |
-2.6 |
0.438 |
7 |
2 |
0 |
0.020 |
Average: |
588.9 |
-2.6 |
0.435 |
7 |
2 |
0 |
0.020 |
24 |
45 |
|
J |
54 |
19 |
10241 |
◊ |
I |
x,y,z |
1_555 |
58 |
23 |
9962 |
558.5 |
-3.6 |
0.330 |
8 |
5 |
0 |
0.177 |
46 |
|
X |
52 |
19 |
10254 |
◊ |
W |
x,y,z |
1_555 |
59 |
23 |
9944 |
550.6 |
-3.7 |
0.330 |
9 |
5 |
0 |
0.177 |
Average: |
554.6 |
-3.7 |
0.330 |
9 |
5 |
0 |
0.177 |
25 |
47 |
|
J |
57 |
15 |
10241 |
◊ |
B |
x,y,z |
1_555 |
54 |
13 |
12804 |
549.0 |
0.2 |
0.617 |
10 |
4 |
0 |
0.019 |
48 |
|
X |
56 |
15 |
10254 |
◊ |
P |
x,y,z |
1_555 |
54 |
13 |
12789 |
543.7 |
0.2 |
0.621 |
10 |
3 |
0 |
0.019 |
Average: |
546.3 |
0.2 |
0.619 |
10 |
4 |
0 |
0.019 |
26 |
49 |
|
I |
60 |
16 |
9962 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
13404 |
540.0 |
-2.9 |
0.487 |
7 |
2 |
0 |
0.029 |
50 |
|
W |
57 |
17 |
9944 |
◊ |
O |
x,y,z |
1_555 |
47 |
13 |
13392 |
528.2 |
-2.9 |
0.480 |
7 |
2 |
0 |
0.029 |
Average: |
534.1 |
-2.9 |
0.483 |
7 |
2 |
0 |
0.029 |
27 |
51 |
|
Z |
58 |
14 |
12085 |
◊ |
R |
x,y,z |
1_555 |
56 |
14 |
12262 |
532.4 |
1.8 |
0.761 |
10 |
3 |
0 |
0.011 |
52 |
|
L |
58 |
15 |
12103 |
◊ |
D |
x,y,z |
1_555 |
55 |
13 |
12271 |
520.5 |
1.7 |
0.754 |
10 |
3 |
0 |
0.011 |
Average: |
526.4 |
1.8 |
0.757 |
10 |
3 |
0 |
0.011 |
28 |
53 |
|
W |
51 |
11 |
9944 |
◊ |
P |
x,y,z |
1_555 |
57 |
13 |
12789 |
490.9 |
-1.9 |
0.453 |
5 |
1 |
0 |
0.017 |
54 |
|
I |
46 |
11 |
9962 |
◊ |
B |
x,y,z |
1_555 |
54 |
13 |
12804 |
475.2 |
-2.0 |
0.433 |
5 |
1 |
0 |
0.017 |
Average: |
483.0 |
-2.0 |
0.443 |
5 |
1 |
0 |
0.017 |
29 |
55 |
|
b |
58 |
17 |
9621 |
◊ |
T |
x,y,z |
1_555 |
48 |
12 |
12474 |
487.4 |
-1.7 |
0.507 |
7 |
2 |
0 |
0.020 |
56 |
|
N |
57 |
16 |
9617 |
◊ |
F |
x,y,z |
1_555 |
48 |
12 |
12480 |
481.1 |
-1.8 |
0.497 |
7 |
2 |
0 |
0.020 |
Average: |
484.3 |
-1.8 |
0.502 |
7 |
2 |
0 |
0.020 |
30 |
57 |
|
N |
50 |
17 |
9617 |
◊ |
H |
x,y,z |
1_555 |
52 |
20 |
13899 |
485.7 |
-1.8 |
0.587 |
10 |
5 |
0 |
0.091 |
58 |
|
b |
53 |
17 |
9621 |
◊ |
V |
x,y,z |
1_555 |
54 |
20 |
13922 |
476.1 |
-1.9 |
0.592 |
9 |
5 |
0 |
0.091 |
Average: |
480.9 |
-1.9 |
0.589 |
10 |
5 |
0 |
0.091 |
31 |
59 |
|
N |
53 |
13 |
9617 |
◊ |
G |
x,y,z |
1_555 |
51 |
13 |
12859 |
456.8 |
-1.6 |
0.497 |
3 |
2 |
0 |
0.032 |
60 |
|
b |
51 |
13 |
9621 |
◊ |
U |
x,y,z |
1_555 |
49 |
13 |
12866 |
454.1 |
-1.5 |
0.503 |
4 |
2 |
0 |
0.032 |
Average: |
455.5 |
-1.6 |
0.500 |
4 |
2 |
0 |
0.032 |
32 |
61 |
|
M |
51 |
12 |
12661 |
◊ |
F |
x,y,z |
1_555 |
57 |
17 |
12480 |
454.5 |
-0.0 |
0.684 |
8 |
6 |
0 |
0.016 |
62 |
|
a |
45 |
12 |
12662 |
◊ |
T |
x,y,z |
1_555 |
55 |
17 |
12474 |
437.3 |
0.1 |
0.691 |
8 |
7 |
0 |
0.016 |
Average: |
445.9 |
0.1 |
0.688 |
8 |
7 |
0 |
0.016 |
33 |
63 |
|
K |
39 |
10 |
10314 |
◊ |
D |
x,y,z |
1_555 |
43 |
12 |
12271 |
425.0 |
-2.3 |
0.446 |
4 |
7 |
0 |
0.021 |
64 |
|
Y |
36 |
10 |
10317 |
◊ |
R |
x,y,z |
1_555 |
44 |
12 |
12262 |
418.5 |
-2.3 |
0.436 |
4 |
7 |
0 |
0.021 |
Average: |
421.8 |
-2.3 |
0.441 |
4 |
7 |
0 |
0.021 |
34 |
65 |
|
P |
45 |
15 |
12789 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
54 |
14 |
12271 |
406.0 |
-2.3 |
0.445 |
2 |
0 |
0 |
0.000 |
35 |
66 |
|
X |
39 |
9 |
10254 |
◊ |
Q |
x,y,z |
1_555 |
44 |
11 |
12924 |
402.7 |
-2.6 |
0.276 |
6 |
4 |
0 |
0.024 |
67 |
|
J |
39 |
9 |
10241 |
◊ |
C |
x,y,z |
1_555 |
44 |
11 |
12915 |
400.1 |
-2.6 |
0.280 |
6 |
4 |
0 |
0.024 |
Average: |
401.4 |
-2.6 |
0.278 |
6 |
4 |
0 |
0.024 |
36 |
68 |
|
L |
32 |
7 |
12103 |
◊ |
E |
x,y,z |
1_555 |
45 |
12 |
11844 |
351.8 |
0.0 |
0.539 |
5 |
2 |
0 |
0.008 |
69 |
|
Z |
30 |
7 |
12085 |
◊ |
S |
x,y,z |
1_555 |
46 |
12 |
11834 |
341.4 |
-0.0 |
0.528 |
4 |
1 |
0 |
0.008 |
Average: |
346.6 |
-0.0 |
0.533 |
5 |
2 |
0 |
0.008 |
37 |
70 |
|
Y |
34 |
13 |
10317 |
◊ |
Q |
x,y,z |
1_555 |
40 |
11 |
12924 |
328.2 |
1.9 |
0.784 |
6 |
8 |
0 |
0.008 |
71 |
|
K |
33 |
13 |
10314 |
◊ |
C |
x,y,z |
1_555 |
38 |
10 |
12915 |
324.8 |
1.9 |
0.784 |
6 |
8 |
0 |
0.008 |
Average: |
326.5 |
1.9 |
0.784 |
6 |
8 |
0 |
0.008 |
38 |
72 |
|
V |
24 |
4 |
13922 |
◊ |
P |
x,y,z |
1_555 |
38 |
11 |
12789 |
279.6 |
-3.3 |
0.314 |
1 |
0 |
0 |
0.015 |
73 |
|
H |
23 |
4 |
13899 |
◊ |
B |
x,y,z |
1_555 |
38 |
11 |
12804 |
271.6 |
-3.0 |
0.334 |
0 |
0 |
0 |
0.015 |
Average: |
275.6 |
-3.1 |
0.324 |
1 |
0 |
0 |
0.015 |
39 |
74 |
|
U |
33 |
12 |
12866 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
34 |
12 |
13404 |
255.1 |
1.7 |
0.778 |
2 |
1 |
0 |
0.000 |
40 |
75 |
|
U |
35 |
11 |
12866 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
29 |
14 |
12859 |
254.7 |
1.7 |
0.750 |
2 |
0 |
0 |
0.000 |
41 |
76 |
|
R |
33 |
10 |
12262 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
16 |
5 |
12804 |
216.3 |
-2.3 |
0.131 |
2 |
0 |
0 |
0.000 |
42 |
77 |
|
T |
23 |
7 |
12474 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
8 |
12480 |
154.4 |
0.7 |
0.715 |
1 |
1 |
0 |
0.000 |
43 |
78 |
|
T |
16 |
4 |
12474 |
◊ |
O |
x,y,z |
1_555 |
16 |
4 |
13392 |
147.0 |
-1.7 |
0.398 |
2 |
0 |
0 |
0.027 |
79 |
|
F |
14 |
4 |
12480 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
13404 |
144.5 |
-1.6 |
0.398 |
2 |
0 |
0 |
0.027 |
Average: |
145.8 |
-1.7 |
0.398 |
2 |
0 |
0 |
0.027 |
44 |
80 |
|
T |
15 |
5 |
12474 |
◊ |
P |
x,y,z |
1_555 |
15 |
4 |
12789 |
133.0 |
0.0 |
0.636 |
1 |
0 |
0 |
0.005 |
81 |
|
F |
15 |
5 |
12480 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
12804 |
130.9 |
0.1 |
0.647 |
1 |
0 |
0 |
0.005 |
Average: |
131.9 |
0.1 |
0.641 |
1 |
0 |
0 |
0.005 |
45 |
82 |
|
E |
16 |
6 |
11844 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
12804 |
131.3 |
0.6 |
0.630 |
1 |
0 |
0 |
0.000 |
83 |
|
S |
15 |
6 |
11834 |
◊ |
P |
x,y,z |
1_555 |
11 |
4 |
12789 |
126.7 |
0.5 |
0.639 |
1 |
1 |
0 |
0.000 |
Average: |
129.0 |
0.6 |
0.634 |
1 |
1 |
0 |
0.001 |
46 |
84 |
|
U |
15 |
3 |
12866 |
◊ |
P |
x,y,z |
1_555 |
13 |
2 |
12789 |
130.0 |
-2.7 |
0.145 |
1 |
0 |
0 |
0.033 |
85 |
|
G |
15 |
3 |
12859 |
◊ |
B |
x,y,z |
1_555 |
13 |
2 |
12804 |
125.9 |
-2.7 |
0.146 |
0 |
0 |
0 |
0.033 |
Average: |
128.0 |
-2.7 |
0.145 |
1 |
0 |
0 |
0.033 |
47 |
86 |
|
R |
13 |
4 |
12262 |
◊ |
P |
x,y,z |
1_555 |
14 |
3 |
12789 |
114.1 |
0.7 |
0.711 |
1 |
2 |
0 |
0.004 |
87 |
|
D |
13 |
4 |
12271 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
12804 |
111.2 |
0.5 |
0.690 |
1 |
2 |
0 |
0.004 |
Average: |
112.7 |
0.6 |
0.701 |
1 |
2 |
0 |
0.004 |
48 |
88 |
|
T |
13 |
4 |
12474 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
12859 |
99.8 |
0.1 |
0.558 |
2 |
0 |
0 |
0.000 |
49 |
89 |
|
K |
11 |
3 |
10314 |
◊ |
V |
x,y,z |
1_555 |
5 |
2 |
13922 |
96.3 |
-1.5 |
0.270 |
0 |
0 |
0 |
0.010 |
90 |
|
Y |
11 |
3 |
10317 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
13899 |
91.2 |
-1.5 |
0.266 |
0 |
0 |
0 |
0.010 |
Average: |
93.7 |
-1.5 |
0.268 |
0 |
0 |
0 |
0.010 |
50 |
91 |
|
Q |
15 |
4 |
12924 |
◊ |
O |
x,y,z |
1_555 |
9 |
3 |
13392 |
85.2 |
-1.1 |
0.399 |
0 |
0 |
0 |
0.018 |
92 |
|
C |
15 |
4 |
12915 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13404 |
82.7 |
-1.1 |
0.399 |
0 |
0 |
0 |
0.018 |
Average: |
83.9 |
-1.1 |
0.399 |
0 |
0 |
0 |
0.018 |
51 |
93 |
|
M |
8 |
3 |
12661 |
◊ |
U |
x,y,z |
1_555 |
9 |
5 |
12866 |
74.7 |
1.1 |
0.746 |
1 |
0 |
0 |
0.000 |
94 |
|
a |
7 |
3 |
12662 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
12859 |
71.1 |
1.2 |
0.734 |
1 |
0 |
0 |
0.000 |
Average: |
72.9 |
1.1 |
0.740 |
1 |
0 |
0 |
0.000 |
52 |
95 |
|
T |
7 |
2 |
12474 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
11844 |
64.4 |
-0.3 |
0.488 |
0 |
0 |
0 |
0.000 |
53 |
96 |
|
E |
6 |
2 |
11844 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
13404 |
62.9 |
-0.2 |
0.447 |
1 |
0 |
0 |
0.005 |
97 |
|
S |
5 |
2 |
11834 |
◊ |
O |
x,y,z |
1_555 |
6 |
1 |
13392 |
61.7 |
-0.1 |
0.424 |
1 |
0 |
0 |
0.005 |
Average: |
62.3 |
-0.2 |
0.435 |
1 |
0 |
0 |
0.005 |
54 |
98 |
|
[MG]J:201 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
13 |
5 |
10241 |
58.0 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.147 |
55 |
99 |
|
[MG]I:301 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
16 |
8 |
9962 |
54.7 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.246 |
56 |
100 |
|
U |
5 |
2 |
12866 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
4 |
12480 |
54.6 |
0.5 |
0.709 |
0 |
0 |
0 |
0.000 |
57 |
101 |
|
[MG]Z:301 |
1 |
1 |
98 |
f |
Z |
x,y,z |
1_555 |
11 |
7 |
12085 |
52.8 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.317 |
58 |
102 |
|
[MG]G:301 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
5 |
4 |
12859 |
50.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.187 |
59 |
103 |
|
[MG]N:201 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
10 |
7 |
9617 |
49.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.244 |
60 |
104 |
|
[MG]K:302 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
12 |
5 |
10314 |
49.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.256 |
61 |
105 |
|
[MG]Y:301 |
1 |
1 |
98 |
f |
Y |
x,y,z |
1_555 |
8 |
6 |
10317 |
41.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.227 |
106 |
|
[MG]K:301 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
8 |
6 |
10314 |
40.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.227 |
Average: |
41.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.227 |
62 |
107 |
|
[MG]V:301 |
1 |
1 |
98 |
f |
V |
x,y,z |
1_555 |
10 |
6 |
13922 |
40.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.329 |
63 |
108 |
|
[MG]V:301 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
12103 |
28.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.116 |
64 |
109 |
|
[MG]K:301 |
1 |
1 |
98 |
◊ |
W |
x,y,z |
1_555 |
5 |
2 |
9944 |
28.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.111 |
110 |
|
[MG]Y:301 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
9962 |
25.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.111 |
Average: |
27.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.111 |
65 |
111 |
|
R |
3 |
1 |
12262 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
13392 |
25.7 |
0.3 |
0.702 |
1 |
0 |
0 |
0.002 |
112 |
|
D |
3 |
1 |
12271 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13404 |
23.4 |
0.3 |
0.733 |
1 |
0 |
0 |
0.002 |
Average: |
24.6 |
0.3 |
0.717 |
1 |
0 |
0 |
0.002 |
66 |
113 |
|
[MG]N:201 |
1 |
1 |
98 |
◊ |
a |
x,y,z |
1_555 |
2 |
2 |
12662 |
22.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.091 |
67 |
114 |
|
[MG]I:301 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
4 |
2 |
10317 |
16.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.050 |
68 |
115 |
|
[MG]Z:301 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
13899 |
14.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.038 |
69 |
116 |
|
[MG]J:201 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
3 |
3 |
9962 |
12.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.024 |
70 |
117 |
|
S |
1 |
1 |
11834 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12915 |
0.3 |
0.0 |
0.655 |
0 |
0 |
0 |
0.000 |
|