| ## |
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 |
|
W |
171 |
51 |
9928 |
◊ |
V |
x,y,z |
1_555 |
159 |
42 |
13711 |
1600.5 |
-14.6 |
0.240 |
28 |
17 |
0 |
0.789 |
2 |
|
I |
172 |
50 |
9939 |
◊ |
H |
x,y,z |
1_555 |
159 |
41 |
13719 |
1588.7 |
-15.3 |
0.219 |
28 |
18 |
0 |
0.789 |
| Average: |
1594.6 |
-14.9 |
0.230 |
28 |
18 |
0 |
0.789 |
| 2 |
3 |
|
C |
148 |
34 |
12875 |
◊ |
B |
x,y,z |
1_555 |
175 |
42 |
12760 |
1548.9 |
-10.5 |
0.241 |
21 |
3 |
0 |
1.000 |
4 |
|
Q |
146 |
32 |
12881 |
◊ |
P |
x,y,z |
1_555 |
174 |
42 |
12751 |
1504.9 |
-10.2 |
0.244 |
23 |
3 |
0 |
1.000 |
| Average: |
1526.9 |
-10.3 |
0.242 |
22 |
3 |
0 |
1.000 |
| 3 |
5 |
|
Z |
160 |
38 |
12070 |
◊ |
H |
x,y,z |
1_555 |
137 |
35 |
13719 |
1441.5 |
-6.7 |
0.471 |
20 |
4 |
0 |
0.635 |
6 |
|
L |
159 |
38 |
12071 |
◊ |
V |
x,y,z |
1_555 |
142 |
35 |
13711 |
1433.0 |
-6.5 |
0.475 |
20 |
4 |
0 |
0.635 |
| Average: |
1437.3 |
-6.6 |
0.473 |
20 |
4 |
0 |
0.635 |
| 4 |
7 |
|
U |
155 |
41 |
12830 |
◊ |
O |
x,y,z |
1_555 |
139 |
38 |
13360 |
1406.2 |
-17.3 |
0.080 |
13 |
1 |
0 |
0.472 |
8 |
|
G |
157 |
42 |
12823 |
◊ |
A |
x,y,z |
1_555 |
137 |
37 |
13363 |
1375.6 |
-17.1 |
0.084 |
12 |
2 |
0 |
0.472 |
| Average: |
1390.9 |
-17.2 |
0.082 |
13 |
2 |
0 |
0.472 |
| 5 |
9 |
|
G |
140 |
32 |
12823 |
◊ |
F |
x,y,z |
1_555 |
159 |
39 |
12429 |
1357.0 |
-13.0 |
0.160 |
20 |
3 |
0 |
1.000 |
10 |
|
U |
140 |
32 |
12830 |
◊ |
T |
x,y,z |
1_555 |
156 |
39 |
12448 |
1351.4 |
-13.1 |
0.156 |
19 |
4 |
0 |
1.000 |
| Average: |
1354.2 |
-13.1 |
0.158 |
20 |
4 |
0 |
1.000 |
| 6 |
11 |
|
P |
146 |
38 |
12751 |
◊ |
O |
x,y,z |
1_555 |
157 |
42 |
13360 |
1342.3 |
-16.4 |
0.107 |
14 |
1 |
0 |
1.000 |
12 |
|
B |
145 |
38 |
12760 |
◊ |
A |
x,y,z |
1_555 |
151 |
41 |
13363 |
1335.3 |
-16.2 |
0.107 |
13 |
1 |
0 |
1.000 |
| Average: |
1338.8 |
-16.3 |
0.107 |
14 |
1 |
0 |
1.000 |
| 7 |
13 |
|
b |
144 |
40 |
9582 |
◊ |
M |
x,y,z |
1_555 |
135 |
29 |
12629 |
1340.4 |
-9.0 |
0.307 |
26 |
3 |
0 |
0.730 |
14 |
|
N |
141 |
40 |
9591 |
◊ |
a |
x,y,z |
1_555 |
135 |
29 |
12644 |
1329.8 |
-8.6 |
0.318 |
26 |
3 |
0 |
0.730 |
| Average: |
1335.1 |
-8.8 |
0.312 |
26 |
3 |
0 |
0.730 |
| 8 |
15 |
|
T |
144 |
33 |
12448 |
◊ |
S |
x,y,z |
1_555 |
146 |
39 |
11797 |
1327.0 |
-12.9 |
0.137 |
13 |
4 |
0 |
1.000 |
16 |
|
F |
148 |
33 |
12429 |
◊ |
E |
x,y,z |
1_555 |
141 |
39 |
11811 |
1324.4 |
-13.0 |
0.136 |
13 |
4 |
0 |
1.000 |
| Average: |
1325.7 |
-12.9 |
0.137 |
13 |
4 |
0 |
1.000 |
| 9 |
17 |
|
D |
127 |
34 |
12228 |
◊ |
C |
x,y,z |
1_555 |
137 |
36 |
12875 |
1270.5 |
-11.6 |
0.136 |
16 |
2 |
0 |
0.558 |
18 |
|
R |
126 |
34 |
12218 |
◊ |
Q |
x,y,z |
1_555 |
138 |
36 |
12881 |
1267.3 |
-11.5 |
0.136 |
16 |
2 |
0 |
0.558 |
| Average: |
1268.9 |
-11.6 |
0.136 |
16 |
2 |
0 |
0.558 |
| 10 |
19 |
|
S |
104 |
29 |
11797 |
◊ |
R |
x,y,z |
1_555 |
115 |
34 |
12218 |
1020.9 |
-9.5 |
0.162 |
11 |
4 |
0 |
1.000 |
20 |
|
E |
102 |
30 |
11811 |
◊ |
D |
x,y,z |
1_555 |
114 |
33 |
12228 |
994.7 |
-9.8 |
0.152 |
12 |
4 |
0 |
1.000 |
| Average: |
1007.8 |
-9.6 |
0.157 |
12 |
4 |
0 |
1.000 |
| 11 |
21 |
|
Y |
103 |
28 |
10275 |
◊ |
I |
x,y,z |
1_555 |
102 |
24 |
9939 |
948.5 |
-3.0 |
0.586 |
19 |
5 |
0 |
0.389 |
22 |
|
K |
106 |
28 |
10279 |
◊ |
W |
x,y,z |
1_555 |
102 |
24 |
9928 |
948.1 |
-2.4 |
0.636 |
20 |
5 |
0 |
0.389 |
| Average: |
948.3 |
-2.7 |
0.611 |
20 |
5 |
0 |
0.389 |
| 12 |
23 |
|
M |
95 |
28 |
12629 |
◊ |
L |
x,y,z |
1_555 |
98 |
29 |
12071 |
939.9 |
0.9 |
0.698 |
15 |
8 |
0 |
0.149 |
24 |
|
a |
95 |
28 |
12644 |
◊ |
Z |
x,y,z |
1_555 |
98 |
29 |
12070 |
931.4 |
-0.3 |
0.662 |
15 |
8 |
0 |
0.149 |
| Average: |
935.6 |
0.3 |
0.680 |
15 |
8 |
0 |
0.149 |
| 13 |
25 |
|
a |
85 |
24 |
12644 |
◊ |
H |
x,y,z |
1_555 |
99 |
26 |
13719 |
899.7 |
-11.0 |
0.164 |
6 |
1 |
0 |
0.253 |
26 |
|
M |
85 |
24 |
12629 |
◊ |
V |
x,y,z |
1_555 |
97 |
26 |
13711 |
892.8 |
-10.9 |
0.165 |
6 |
1 |
0 |
0.253 |
| Average: |
896.2 |
-10.9 |
0.164 |
6 |
1 |
0 |
0.253 |
| 14 |
27 |
|
K |
84 |
20 |
10279 |
◊ |
X |
x,y,z |
1_555 |
82 |
19 |
10175 |
721.3 |
-3.5 |
0.414 |
6 |
9 |
0 |
0.039 |
28 |
|
Y |
81 |
20 |
10275 |
◊ |
J |
x,y,z |
1_555 |
81 |
19 |
10163 |
716.3 |
-4.1 |
0.376 |
6 |
9 |
0 |
0.039 |
| Average: |
718.8 |
-3.8 |
0.395 |
6 |
9 |
0 |
0.039 |
| 15 |
29 |
|
X |
70 |
19 |
10175 |
◊ |
J |
x,y,z |
1_555 |
69 |
19 |
10163 |
691.2 |
-2.6 |
0.444 |
16 |
2 |
0 |
0.000 |
| 16 |
30 |
|
Z |
72 |
21 |
12070 |
◊ |
Y |
x,y,z |
1_555 |
73 |
20 |
10275 |
676.8 |
-3.3 |
0.339 |
12 |
5 |
0 |
0.058 |
31 |
|
L |
70 |
21 |
12071 |
◊ |
K |
x,y,z |
1_555 |
74 |
21 |
10279 |
674.1 |
-3.2 |
0.350 |
12 |
5 |
0 |
0.058 |
| Average: |
675.5 |
-3.3 |
0.345 |
12 |
5 |
0 |
0.058 |
| 17 |
32 |
|
Z |
80 |
19 |
12070 |
◊ |
I |
x,y,z |
1_555 |
86 |
20 |
9939 |
661.2 |
-4.1 |
0.380 |
6 |
6 |
0 |
0.107 |
33 |
|
L |
79 |
19 |
12071 |
◊ |
W |
x,y,z |
1_555 |
85 |
20 |
9928 |
656.0 |
-4.0 |
0.379 |
6 |
6 |
0 |
0.107 |
| Average: |
658.6 |
-4.0 |
0.379 |
6 |
6 |
0 |
0.107 |
| 18 |
34 |
|
H |
62 |
17 |
13719 |
◊ |
A |
x,y,z |
1_555 |
73 |
19 |
13363 |
656.2 |
-3.7 |
0.502 |
9 |
2 |
0 |
0.046 |
35 |
|
V |
57 |
17 |
13711 |
◊ |
O |
x,y,z |
1_555 |
74 |
19 |
13360 |
643.9 |
-4.2 |
0.453 |
10 |
2 |
0 |
0.046 |
| Average: |
650.0 |
-3.9 |
0.477 |
10 |
2 |
0 |
0.046 |
| 19 |
36 |
|
Y |
71 |
23 |
10275 |
◊ |
X |
x,y,z |
1_555 |
62 |
18 |
10175 |
644.5 |
-0.8 |
0.623 |
7 |
5 |
0 |
0.000 |
37 |
|
K |
72 |
23 |
10279 |
◊ |
J |
x,y,z |
1_555 |
60 |
18 |
10163 |
643.7 |
-0.7 |
0.624 |
7 |
5 |
0 |
0.000 |
| Average: |
644.1 |
-0.8 |
0.623 |
7 |
5 |
0 |
0.000 |
| 20 |
38 |
|
H |
61 |
15 |
13719 |
◊ |
G |
x,y,z |
1_555 |
70 |
18 |
12823 |
635.2 |
-0.3 |
0.623 |
10 |
12 |
0 |
0.034 |
39 |
|
V |
62 |
15 |
13711 |
◊ |
U |
x,y,z |
1_555 |
69 |
18 |
12830 |
633.8 |
-0.3 |
0.621 |
10 |
12 |
0 |
0.034 |
| Average: |
634.5 |
-0.3 |
0.622 |
10 |
12 |
0 |
0.034 |
| 21 |
40 |
|
N |
65 |
20 |
9591 |
◊ |
M |
x,y,z |
1_555 |
69 |
20 |
12629 |
626.5 |
-1.1 |
0.568 |
9 |
4 |
0 |
0.000 |
41 |
|
b |
66 |
19 |
9582 |
◊ |
a |
x,y,z |
1_555 |
68 |
20 |
12644 |
620.9 |
-1.0 |
0.574 |
9 |
4 |
0 |
0.000 |
| Average: |
623.7 |
-1.0 |
0.571 |
9 |
4 |
0 |
0.000 |
| 22 |
42 |
|
N |
69 |
15 |
9591 |
◊ |
b |
x,y,z |
1_555 |
70 |
16 |
9582 |
625.2 |
-4.0 |
0.351 |
10 |
4 |
0 |
0.000 |
| 23 |
43 |
|
M |
64 |
17 |
12629 |
◊ |
E |
x,y,z |
1_555 |
55 |
14 |
11811 |
583.0 |
-2.5 |
0.446 |
7 |
2 |
0 |
0.000 |
44 |
|
a |
64 |
17 |
12644 |
◊ |
S |
x,y,z |
1_555 |
55 |
14 |
11797 |
577.1 |
-2.5 |
0.448 |
7 |
3 |
0 |
0.000 |
| Average: |
580.1 |
-2.5 |
0.447 |
7 |
3 |
0 |
0.000 |
| 24 |
45 |
|
J |
52 |
19 |
10163 |
◊ |
I |
x,y,z |
1_555 |
59 |
23 |
9939 |
556.5 |
-3.5 |
0.341 |
9 |
5 |
0 |
0.043 |
46 |
|
X |
52 |
19 |
10175 |
◊ |
W |
x,y,z |
1_555 |
58 |
23 |
9928 |
544.2 |
-3.5 |
0.340 |
9 |
5 |
0 |
0.043 |
| Average: |
550.3 |
-3.5 |
0.341 |
9 |
5 |
0 |
0.043 |
| 25 |
47 |
|
X |
58 |
15 |
10175 |
◊ |
P |
x,y,z |
1_555 |
54 |
13 |
12751 |
545.6 |
0.3 |
0.630 |
10 |
4 |
0 |
0.000 |
48 |
|
J |
58 |
15 |
10163 |
◊ |
B |
x,y,z |
1_555 |
53 |
13 |
12760 |
539.3 |
0.2 |
0.627 |
10 |
4 |
0 |
0.000 |
| Average: |
542.4 |
0.2 |
0.628 |
10 |
4 |
0 |
0.000 |
| 26 |
49 |
|
Z |
58 |
14 |
12070 |
◊ |
R |
x,y,z |
1_555 |
56 |
13 |
12218 |
532.1 |
1.8 |
0.762 |
10 |
3 |
0 |
0.000 |
50 |
|
L |
58 |
14 |
12071 |
◊ |
D |
x,y,z |
1_555 |
54 |
13 |
12228 |
523.8 |
1.8 |
0.758 |
10 |
4 |
0 |
0.000 |
| Average: |
527.9 |
1.8 |
0.760 |
10 |
4 |
0 |
0.000 |
| 27 |
51 |
|
I |
59 |
16 |
9939 |
◊ |
A |
x,y,z |
1_555 |
46 |
13 |
13363 |
529.5 |
-2.7 |
0.493 |
6 |
2 |
0 |
0.034 |
52 |
|
W |
60 |
16 |
9928 |
◊ |
O |
x,y,z |
1_555 |
47 |
13 |
13360 |
528.2 |
-2.8 |
0.489 |
8 |
2 |
0 |
0.034 |
| Average: |
528.9 |
-2.7 |
0.491 |
7 |
2 |
0 |
0.034 |
| 28 |
53 |
|
I |
48 |
11 |
9939 |
◊ |
B |
x,y,z |
1_555 |
56 |
13 |
12760 |
482.8 |
-1.9 |
0.447 |
5 |
1 |
0 |
0.000 |
54 |
|
W |
49 |
11 |
9928 |
◊ |
P |
x,y,z |
1_555 |
55 |
13 |
12751 |
479.3 |
-1.9 |
0.453 |
4 |
1 |
0 |
0.000 |
| Average: |
481.1 |
-1.9 |
0.450 |
5 |
1 |
0 |
0.000 |
| 29 |
55 |
|
N |
56 |
16 |
9591 |
◊ |
F |
x,y,z |
1_555 |
48 |
12 |
12429 |
478.6 |
-1.6 |
0.511 |
6 |
2 |
0 |
0.000 |
56 |
|
b |
56 |
15 |
9582 |
◊ |
T |
x,y,z |
1_555 |
47 |
12 |
12448 |
474.6 |
-1.7 |
0.503 |
6 |
2 |
0 |
0.000 |
| Average: |
476.6 |
-1.7 |
0.507 |
6 |
2 |
0 |
0.000 |
| 30 |
57 |
|
b |
50 |
18 |
9582 |
◊ |
V |
x,y,z |
1_555 |
54 |
20 |
13711 |
469.8 |
-1.2 |
0.635 |
9 |
5 |
0 |
0.074 |
58 |
|
N |
47 |
18 |
9591 |
◊ |
H |
x,y,z |
1_555 |
55 |
20 |
13719 |
460.2 |
-1.1 |
0.643 |
9 |
5 |
0 |
0.074 |
| Average: |
465.0 |
-1.2 |
0.639 |
9 |
5 |
0 |
0.074 |
| 31 |
59 |
|
a |
49 |
12 |
12644 |
◊ |
T |
x,y,z |
1_555 |
60 |
18 |
12448 |
452.7 |
0.1 |
0.694 |
8 |
6 |
0 |
0.000 |
60 |
|
M |
50 |
12 |
12629 |
◊ |
F |
x,y,z |
1_555 |
58 |
17 |
12429 |
447.7 |
0.2 |
0.702 |
9 |
6 |
0 |
0.000 |
| Average: |
450.2 |
0.2 |
0.698 |
9 |
6 |
0 |
0.000 |
| 32 |
61 |
|
N |
52 |
13 |
9591 |
◊ |
G |
x,y,z |
1_555 |
51 |
13 |
12823 |
449.9 |
-1.6 |
0.492 |
4 |
2 |
0 |
0.000 |
62 |
|
b |
51 |
13 |
9582 |
◊ |
U |
x,y,z |
1_555 |
50 |
13 |
12830 |
445.3 |
-1.6 |
0.493 |
4 |
2 |
0 |
0.000 |
| Average: |
447.6 |
-1.6 |
0.493 |
4 |
2 |
0 |
0.000 |
| 33 |
63 |
|
Y |
38 |
10 |
10275 |
◊ |
R |
x,y,z |
1_555 |
43 |
12 |
12218 |
416.2 |
-2.4 |
0.432 |
4 |
6 |
0 |
0.000 |
64 |
|
K |
38 |
10 |
10279 |
◊ |
D |
x,y,z |
1_555 |
43 |
12 |
12228 |
413.6 |
-2.4 |
0.439 |
4 |
7 |
0 |
0.000 |
| Average: |
414.9 |
-2.4 |
0.435 |
4 |
7 |
0 |
0.000 |
| 34 |
65 |
|
P |
42 |
14 |
12751 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
53 |
14 |
12228 |
405.6 |
-2.2 |
0.438 |
3 |
0 |
0 |
0.000 |
| 35 |
66 |
|
J |
39 |
8 |
10163 |
◊ |
C |
x,y,z |
1_555 |
45 |
11 |
12875 |
401.0 |
-2.6 |
0.278 |
6 |
4 |
0 |
0.000 |
67 |
|
X |
38 |
9 |
10175 |
◊ |
Q |
x,y,z |
1_555 |
44 |
11 |
12881 |
395.5 |
-2.7 |
0.273 |
5 |
4 |
0 |
0.000 |
| Average: |
398.2 |
-2.7 |
0.275 |
6 |
4 |
0 |
0.000 |
| 36 |
68 |
|
Z |
32 |
7 |
12070 |
◊ |
S |
x,y,z |
1_555 |
47 |
12 |
11797 |
356.5 |
0.1 |
0.545 |
5 |
2 |
0 |
0.000 |
69 |
|
L |
30 |
7 |
12071 |
◊ |
E |
x,y,z |
1_555 |
45 |
12 |
11811 |
353.3 |
0.0 |
0.539 |
5 |
2 |
0 |
0.000 |
| Average: |
354.9 |
0.0 |
0.542 |
5 |
2 |
0 |
0.000 |
| 37 |
70 |
|
K |
34 |
13 |
10279 |
◊ |
C |
x,y,z |
1_555 |
38 |
10 |
12875 |
334.1 |
1.9 |
0.789 |
5 |
9 |
0 |
0.000 |
71 |
|
Y |
34 |
13 |
10275 |
◊ |
Q |
x,y,z |
1_555 |
39 |
11 |
12881 |
327.5 |
1.8 |
0.785 |
6 |
9 |
0 |
0.000 |
| Average: |
330.8 |
1.8 |
0.787 |
6 |
9 |
0 |
0.000 |
| 38 |
72 |
|
V |
24 |
4 |
13711 |
◊ |
P |
x,y,z |
1_555 |
37 |
11 |
12751 |
281.5 |
-3.2 |
0.319 |
1 |
0 |
0 |
0.000 |
73 |
|
H |
23 |
4 |
13719 |
◊ |
B |
x,y,z |
1_555 |
38 |
11 |
12760 |
280.6 |
-3.1 |
0.330 |
1 |
0 |
0 |
0.000 |
| Average: |
281.1 |
-3.1 |
0.324 |
1 |
0 |
0 |
0.000 |
| 39 |
74 |
|
U |
36 |
12 |
12830 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
14 |
12823 |
265.4 |
1.8 |
0.753 |
2 |
0 |
0 |
0.000 |
| 40 |
75 |
|
U |
34 |
11 |
12830 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
14 |
13363 |
265.4 |
1.7 |
0.783 |
3 |
1 |
0 |
0.000 |
| 41 |
76 |
|
R |
34 |
9 |
12218 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
18 |
7 |
12760 |
230.0 |
-2.7 |
0.139 |
1 |
0 |
0 |
0.000 |
| 42 |
77 |
|
T |
24 |
7 |
12448 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
9 |
12429 |
153.3 |
0.9 |
0.735 |
0 |
1 |
0 |
0.000 |
| 43 |
78 |
|
F |
15 |
4 |
12429 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
13363 |
147.7 |
-1.6 |
0.414 |
2 |
0 |
0 |
0.032 |
79 |
|
T |
14 |
4 |
12448 |
◊ |
O |
x,y,z |
1_555 |
16 |
4 |
13360 |
143.3 |
-1.5 |
0.421 |
2 |
0 |
0 |
0.032 |
| Average: |
145.5 |
-1.5 |
0.418 |
2 |
0 |
0 |
0.032 |
| 44 |
80 |
|
T |
15 |
5 |
12448 |
◊ |
P |
x,y,z |
1_555 |
14 |
4 |
12751 |
132.3 |
0.1 |
0.642 |
1 |
0 |
0 |
0.006 |
81 |
|
F |
15 |
5 |
12429 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
12760 |
129.7 |
0.0 |
0.635 |
1 |
0 |
0 |
0.006 |
| Average: |
131.0 |
0.1 |
0.639 |
1 |
0 |
0 |
0.006 |
| 45 |
82 |
|
U |
15 |
3 |
12830 |
◊ |
P |
x,y,z |
1_555 |
13 |
2 |
12751 |
128.6 |
-2.7 |
0.146 |
1 |
0 |
0 |
0.064 |
83 |
|
G |
15 |
3 |
12823 |
◊ |
B |
x,y,z |
1_555 |
13 |
2 |
12760 |
125.3 |
-2.6 |
0.152 |
0 |
0 |
0 |
0.064 |
| Average: |
127.0 |
-2.7 |
0.149 |
1 |
0 |
0 |
0.064 |
| 46 |
84 |
|
E |
14 |
6 |
11811 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
12760 |
127.5 |
0.5 |
0.624 |
2 |
1 |
0 |
0.007 |
85 |
|
S |
14 |
6 |
11797 |
◊ |
P |
x,y,z |
1_555 |
12 |
4 |
12751 |
122.9 |
0.5 |
0.629 |
2 |
1 |
0 |
0.007 |
| Average: |
125.2 |
0.5 |
0.627 |
2 |
1 |
0 |
0.007 |
| 47 |
86 |
|
R |
13 |
4 |
12218 |
◊ |
P |
x,y,z |
1_555 |
14 |
3 |
12751 |
118.2 |
0.6 |
0.704 |
1 |
2 |
0 |
0.006 |
87 |
|
D |
13 |
4 |
12228 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
12760 |
113.7 |
0.5 |
0.691 |
1 |
2 |
0 |
0.006 |
| Average: |
115.9 |
0.6 |
0.697 |
1 |
2 |
0 |
0.006 |
| 48 |
88 |
|
T |
13 |
4 |
12448 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
12823 |
98.8 |
0.1 |
0.564 |
2 |
0 |
0 |
0.000 |
| 49 |
89 |
|
Y |
11 |
3 |
10275 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
13719 |
97.8 |
-1.6 |
0.270 |
0 |
0 |
0 |
0.010 |
90 |
|
K |
11 |
3 |
10279 |
◊ |
V |
x,y,z |
1_555 |
5 |
2 |
13711 |
94.4 |
-1.5 |
0.259 |
0 |
0 |
0 |
0.010 |
| Average: |
96.1 |
-1.6 |
0.264 |
0 |
0 |
0 |
0.010 |
| 50 |
91 |
|
Q |
15 |
4 |
12881 |
◊ |
O |
x,y,z |
1_555 |
9 |
3 |
13360 |
83.6 |
-1.1 |
0.403 |
0 |
0 |
0 |
0.025 |
92 |
|
C |
14 |
4 |
12875 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
13363 |
78.6 |
-1.1 |
0.392 |
0 |
0 |
0 |
0.025 |
| Average: |
81.1 |
-1.1 |
0.397 |
0 |
0 |
0 |
0.025 |
| 51 |
93 |
|
a |
7 |
3 |
12644 |
◊ |
G |
x,y,z |
1_555 |
7 |
4 |
12823 |
72.5 |
1.2 |
0.739 |
1 |
0 |
0 |
0.000 |
94 |
|
M |
7 |
3 |
12629 |
◊ |
U |
x,y,z |
1_555 |
7 |
4 |
12830 |
69.2 |
1.0 |
0.701 |
1 |
0 |
0 |
0.000 |
| Average: |
70.8 |
1.1 |
0.720 |
1 |
0 |
0 |
0.000 |
| 52 |
95 |
|
T |
6 |
2 |
12448 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
11811 |
62.5 |
-0.3 |
0.478 |
0 |
0 |
0 |
0.000 |
| 53 |
96 |
|
E |
6 |
2 |
11811 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
13363 |
59.5 |
-0.1 |
0.457 |
1 |
0 |
0 |
0.005 |
97 |
|
S |
5 |
2 |
11797 |
◊ |
O |
x,y,z |
1_555 |
6 |
1 |
13360 |
58.0 |
-0.1 |
0.434 |
1 |
0 |
0 |
0.005 |
| Average: |
58.7 |
-0.1 |
0.446 |
1 |
0 |
0 |
0.005 |
| 54 |
98 |
|
[CL]a:301 |
1 |
1 |
125 |
f |
a |
x,y,z |
1_555 |
14 |
5 |
12644 |
59.4 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.270 |
99 |
|
[CL]M:301 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
14 |
5 |
12629 |
58.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.270 |
| Average: |
59.0 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.270 |
| 55 |
100 |
|
[CL]G:302 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
6 |
2 |
12823 |
56.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.184 |
| 56 |
101 |
|
[MG]I:301 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
16 |
8 |
9939 |
55.2 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.259 |
102 |
|
[MG]W:301 |
1 |
1 |
98 |
f |
W |
x,y,z |
1_555 |
16 |
8 |
9928 |
55.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.259 |
| Average: |
55.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.259 |
| 57 |
103 |
|
[MG]Z:301 |
1 |
1 |
98 |
f |
Z |
x,y,z |
1_555 |
12 |
6 |
12070 |
52.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.315 |
| 58 |
104 |
|
[MG]G:301 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
6 |
5 |
12823 |
50.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.244 |
| 59 |
105 |
|
[CL]M:301 |
1 |
1 |
125 |
◊ |
N |
x,y,z |
1_555 |
8 |
5 |
9591 |
49.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
106 |
|
[CL]a:301 |
1 |
1 |
125 |
◊ |
b |
x,y,z |
1_555 |
8 |
5 |
9582 |
48.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
48.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 60 |
107 |
|
U |
5 |
2 |
12830 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
4 |
12429 |
48.5 |
0.5 |
0.723 |
0 |
0 |
0 |
0.000 |
| 61 |
108 |
|
[MG]N:201 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
10 |
7 |
9591 |
48.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.174 |
| 62 |
109 |
|
[MG]Y:301 |
1 |
1 |
98 |
f |
Y |
x,y,z |
1_555 |
8 |
6 |
10275 |
41.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.211 |
110 |
|
[MG]K:301 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
8 |
6 |
10279 |
41.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.211 |
| Average: |
41.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.211 |
| 63 |
111 |
|
[MG]V:301 |
1 |
1 |
98 |
f |
V |
x,y,z |
1_555 |
11 |
7 |
13711 |
40.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.261 |
| 64 |
112 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
13719 |
35.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.018 |
| 65 |
113 |
|
[MG]H:301 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
7 |
4 |
9591 |
32.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.085 |
| 66 |
114 |
|
[MG]H:301 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
13719 |
32.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.032 |
| 67 |
115 |
|
[MG]K:301 |
1 |
1 |
98 |
◊ |
W |
x,y,z |
1_555 |
5 |
2 |
9928 |
28.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.104 |
116 |
|
[MG]Y:301 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
4 |
1 |
9939 |
26.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.104 |
| Average: |
27.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.104 |
| 68 |
117 |
|
[MG]V:301 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
12071 |
28.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.116 |
| 69 |
118 |
|
R |
3 |
1 |
12218 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
13360 |
24.1 |
0.3 |
0.735 |
1 |
0 |
0 |
0.002 |
119 |
|
D |
3 |
1 |
12228 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13363 |
21.6 |
0.3 |
0.737 |
1 |
0 |
0 |
0.002 |
| Average: |
22.9 |
0.3 |
0.736 |
1 |
0 |
0 |
0.002 |
| 70 |
120 |
|
[MG]N:201 |
1 |
1 |
98 |
◊ |
a |
x,y,z |
1_555 |
2 |
2 |
12644 |
22.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.064 |
| 71 |
121 |
|
[MG]Z:301 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
13719 |
16.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.050 |
| 72 |
122 |
|
[MG]W:301 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
10279 |
15.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.050 |
123 |
|
[MG]I:301 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
4 |
2 |
10275 |
14.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.050 |
| Average: |
15.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.050 |
| 73 |
124 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13363 |
9.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.014 |
| 74 |
125 |
|
S |
2 |
1 |
11797 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12875 |
5.6 |
0.1 |
0.665 |
0 |
0 |
0 |
0.000 |
|