## |
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 |
180 |
54 |
9849 |
◊ |
H |
x,y,z |
1_555 |
161 |
41 |
13687 |
1597.0 |
-14.3 |
0.226 |
27 |
16 |
0 |
0.605 |
2 |
|
W |
179 |
53 |
9862 |
◊ |
V |
x,y,z |
1_555 |
158 |
41 |
13287 |
1596.9 |
-14.2 |
0.248 |
27 |
16 |
0 |
0.605 |
Average: |
1596.9 |
-14.3 |
0.237 |
27 |
16 |
0 |
0.605 |
2 |
3 |
|
C |
146 |
35 |
12827 |
◊ |
B |
x,y,z |
1_555 |
178 |
42 |
12796 |
1537.9 |
-10.2 |
0.239 |
21 |
3 |
0 |
1.000 |
4 |
|
Q |
143 |
33 |
12833 |
◊ |
P |
x,y,z |
1_555 |
180 |
42 |
12802 |
1510.9 |
-10.0 |
0.246 |
22 |
3 |
0 |
1.000 |
Average: |
1524.4 |
-10.1 |
0.242 |
22 |
3 |
0 |
1.000 |
3 |
5 |
|
Z |
152 |
37 |
11754 |
◊ |
H |
x,y,z |
1_555 |
140 |
36 |
13687 |
1410.7 |
-6.2 |
0.494 |
18 |
4 |
0 |
0.453 |
6 |
|
L |
151 |
37 |
11752 |
◊ |
V |
x,y,z |
1_555 |
137 |
36 |
13287 |
1399.6 |
-5.7 |
0.513 |
17 |
6 |
0 |
0.453 |
Average: |
1405.2 |
-6.0 |
0.504 |
18 |
5 |
0 |
0.453 |
4 |
7 |
|
U |
150 |
41 |
12754 |
◊ |
O |
x,y,z |
1_555 |
142 |
38 |
13356 |
1390.3 |
-16.2 |
0.108 |
14 |
1 |
0 |
0.287 |
8 |
|
G |
149 |
39 |
12718 |
◊ |
A |
x,y,z |
1_555 |
142 |
38 |
13376 |
1378.2 |
-16.0 |
0.114 |
14 |
2 |
0 |
0.287 |
Average: |
1384.2 |
-16.1 |
0.111 |
14 |
2 |
0 |
0.287 |
5 |
9 |
|
P |
150 |
39 |
12802 |
◊ |
O |
x,y,z |
1_555 |
161 |
42 |
13356 |
1379.8 |
-17.4 |
0.088 |
14 |
1 |
0 |
0.280 |
10 |
|
B |
147 |
39 |
12796 |
◊ |
A |
x,y,z |
1_555 |
153 |
41 |
13376 |
1374.6 |
-17.3 |
0.085 |
13 |
1 |
0 |
0.280 |
Average: |
1377.2 |
-17.3 |
0.086 |
14 |
1 |
0 |
0.280 |
6 |
11 |
|
G |
140 |
32 |
12718 |
◊ |
F |
x,y,z |
1_555 |
157 |
40 |
12330 |
1360.5 |
-13.6 |
0.145 |
19 |
3 |
0 |
0.283 |
12 |
|
U |
140 |
33 |
12754 |
◊ |
T |
x,y,z |
1_555 |
159 |
41 |
12335 |
1358.7 |
-13.7 |
0.144 |
18 |
4 |
0 |
0.283 |
Average: |
1359.6 |
-13.6 |
0.145 |
19 |
4 |
0 |
0.283 |
7 |
13 |
|
N |
140 |
39 |
9540 |
◊ |
a |
x,y,z |
1_555 |
134 |
28 |
12518 |
1322.8 |
-8.7 |
0.323 |
24 |
7 |
0 |
1.000 |
14 |
|
b |
140 |
39 |
9537 |
◊ |
M |
x,y,z |
1_555 |
132 |
28 |
12532 |
1320.2 |
-8.8 |
0.312 |
25 |
7 |
0 |
1.000 |
Average: |
1321.5 |
-8.8 |
0.317 |
25 |
7 |
0 |
1.000 |
8 |
15 |
|
T |
143 |
33 |
12335 |
◊ |
S |
x,y,z |
1_555 |
148 |
39 |
11749 |
1313.2 |
-13.3 |
0.127 |
14 |
4 |
0 |
0.366 |
16 |
|
F |
142 |
33 |
12330 |
◊ |
E |
x,y,z |
1_555 |
144 |
39 |
11744 |
1300.8 |
-13.2 |
0.126 |
13 |
4 |
0 |
0.366 |
Average: |
1307.0 |
-13.2 |
0.126 |
14 |
4 |
0 |
0.366 |
9 |
17 |
|
D |
128 |
34 |
12175 |
◊ |
C |
x,y,z |
1_555 |
141 |
37 |
12827 |
1273.7 |
-11.9 |
0.133 |
17 |
2 |
0 |
0.498 |
18 |
|
R |
125 |
34 |
12182 |
◊ |
Q |
x,y,z |
1_555 |
138 |
36 |
12833 |
1260.1 |
-11.6 |
0.132 |
17 |
2 |
0 |
0.498 |
Average: |
1266.9 |
-11.8 |
0.133 |
17 |
2 |
0 |
0.498 |
10 |
19 |
|
S |
108 |
30 |
11749 |
◊ |
R |
x,y,z |
1_555 |
114 |
33 |
12182 |
1034.3 |
-9.8 |
0.160 |
11 |
4 |
0 |
0.281 |
20 |
|
E |
107 |
30 |
11744 |
◊ |
D |
x,y,z |
1_555 |
112 |
31 |
12175 |
1007.3 |
-9.9 |
0.155 |
11 |
4 |
0 |
0.281 |
Average: |
1020.8 |
-9.8 |
0.158 |
11 |
4 |
0 |
0.281 |
11 |
21 |
|
Y |
111 |
28 |
10284 |
◊ |
I |
x,y,z |
1_555 |
106 |
24 |
9849 |
982.7 |
-4.5 |
0.480 |
19 |
4 |
0 |
0.350 |
22 |
|
K |
109 |
28 |
10288 |
◊ |
W |
x,y,z |
1_555 |
107 |
24 |
9862 |
979.5 |
-4.5 |
0.482 |
20 |
5 |
0 |
0.350 |
Average: |
981.1 |
-4.5 |
0.481 |
20 |
5 |
0 |
0.350 |
12 |
23 |
|
a |
97 |
29 |
12518 |
◊ |
Z |
x,y,z |
1_555 |
100 |
30 |
11754 |
930.9 |
0.9 |
0.704 |
14 |
10 |
0 |
0.144 |
24 |
|
M |
97 |
29 |
12532 |
◊ |
L |
x,y,z |
1_555 |
99 |
29 |
11752 |
928.0 |
0.9 |
0.700 |
16 |
9 |
0 |
0.144 |
Average: |
929.5 |
0.9 |
0.702 |
15 |
10 |
0 |
0.144 |
13 |
25 |
|
M |
91 |
25 |
12532 |
◊ |
V |
x,y,z |
1_555 |
103 |
29 |
13287 |
925.9 |
-10.3 |
0.226 |
5 |
2 |
0 |
0.246 |
26 |
|
a |
89 |
24 |
12518 |
◊ |
H |
x,y,z |
1_555 |
100 |
29 |
13687 |
916.1 |
-10.4 |
0.205 |
5 |
2 |
0 |
0.246 |
Average: |
921.0 |
-10.3 |
0.215 |
5 |
2 |
0 |
0.246 |
14 |
27 |
|
K |
86 |
23 |
10288 |
◊ |
X |
x,y,z |
1_555 |
86 |
18 |
10091 |
736.2 |
-3.7 |
0.404 |
6 |
8 |
0 |
0.108 |
28 |
|
Y |
85 |
22 |
10284 |
◊ |
J |
x,y,z |
1_555 |
84 |
18 |
10081 |
723.7 |
-3.6 |
0.408 |
7 |
8 |
0 |
0.108 |
Average: |
729.9 |
-3.7 |
0.406 |
7 |
8 |
0 |
0.108 |
15 |
29 |
|
X |
75 |
19 |
10091 |
◊ |
J |
x,y,z |
1_555 |
76 |
19 |
10081 |
701.8 |
-3.6 |
0.389 |
14 |
0 |
0 |
0.059 |
16 |
30 |
|
Z |
78 |
24 |
11754 |
◊ |
Y |
x,y,z |
1_555 |
74 |
22 |
10284 |
690.7 |
-2.7 |
0.315 |
11 |
5 |
0 |
0.117 |
31 |
|
L |
75 |
24 |
11752 |
◊ |
K |
x,y,z |
1_555 |
75 |
22 |
10288 |
685.2 |
-2.6 |
0.322 |
11 |
5 |
0 |
0.117 |
Average: |
687.9 |
-2.6 |
0.319 |
11 |
5 |
0 |
0.117 |
17 |
32 |
|
L |
86 |
22 |
11752 |
◊ |
W |
x,y,z |
1_555 |
89 |
21 |
9862 |
690.7 |
-3.8 |
0.395 |
6 |
6 |
0 |
0.105 |
33 |
|
Z |
85 |
21 |
11754 |
◊ |
I |
x,y,z |
1_555 |
88 |
21 |
9849 |
681.2 |
-4.0 |
0.385 |
6 |
6 |
0 |
0.105 |
Average: |
685.9 |
-3.9 |
0.390 |
6 |
6 |
0 |
0.105 |
18 |
34 |
|
H |
60 |
15 |
13687 |
◊ |
G |
x,y,z |
1_555 |
69 |
18 |
12718 |
640.0 |
-0.6 |
0.593 |
11 |
12 |
0 |
0.033 |
35 |
|
V |
61 |
15 |
13287 |
◊ |
U |
x,y,z |
1_555 |
68 |
17 |
12754 |
626.3 |
-0.5 |
0.600 |
11 |
10 |
0 |
0.033 |
Average: |
633.2 |
-0.5 |
0.596 |
11 |
11 |
0 |
0.033 |
19 |
36 |
|
N |
70 |
15 |
9540 |
◊ |
b |
x,y,z |
1_555 |
72 |
16 |
9537 |
633.3 |
-4.1 |
0.355 |
13 |
6 |
0 |
0.057 |
20 |
37 |
|
V |
59 |
18 |
13287 |
◊ |
O |
x,y,z |
1_555 |
69 |
19 |
13356 |
624.8 |
-5.8 |
0.352 |
9 |
2 |
0 |
0.046 |
38 |
|
H |
58 |
17 |
13687 |
◊ |
A |
x,y,z |
1_555 |
69 |
18 |
13376 |
606.4 |
-5.7 |
0.332 |
9 |
2 |
0 |
0.046 |
Average: |
615.6 |
-5.7 |
0.342 |
9 |
2 |
0 |
0.046 |
21 |
39 |
|
b |
66 |
20 |
9537 |
◊ |
a |
x,y,z |
1_555 |
65 |
20 |
12518 |
617.3 |
-0.8 |
0.588 |
8 |
4 |
0 |
0.052 |
40 |
|
N |
65 |
20 |
9540 |
◊ |
M |
x,y,z |
1_555 |
65 |
20 |
12532 |
616.8 |
-0.8 |
0.597 |
8 |
4 |
0 |
0.052 |
Average: |
617.1 |
-0.8 |
0.592 |
8 |
4 |
0 |
0.052 |
22 |
41 |
|
K |
68 |
23 |
10288 |
◊ |
J |
x,y,z |
1_555 |
61 |
18 |
10081 |
609.5 |
-1.3 |
0.568 |
6 |
4 |
0 |
0.053 |
42 |
|
Y |
69 |
23 |
10284 |
◊ |
X |
x,y,z |
1_555 |
61 |
18 |
10091 |
609.3 |
-1.2 |
0.581 |
6 |
3 |
0 |
0.053 |
Average: |
609.4 |
-1.2 |
0.574 |
6 |
4 |
0 |
0.053 |
23 |
43 |
|
a |
64 |
19 |
12518 |
◊ |
S |
x,y,z |
1_555 |
54 |
14 |
11749 |
575.5 |
-2.6 |
0.444 |
6 |
3 |
0 |
0.028 |
44 |
|
M |
63 |
18 |
12532 |
◊ |
E |
x,y,z |
1_555 |
52 |
13 |
11744 |
565.3 |
-2.7 |
0.437 |
8 |
2 |
0 |
0.028 |
Average: |
570.4 |
-2.6 |
0.441 |
7 |
3 |
0 |
0.028 |
24 |
45 |
|
X |
58 |
21 |
10091 |
◊ |
W |
x,y,z |
1_555 |
60 |
23 |
9862 |
563.3 |
-3.7 |
0.331 |
9 |
3 |
0 |
0.115 |
46 |
|
J |
58 |
21 |
10081 |
◊ |
I |
x,y,z |
1_555 |
56 |
23 |
9849 |
560.6 |
-3.6 |
0.318 |
9 |
3 |
0 |
0.115 |
Average: |
562.0 |
-3.6 |
0.324 |
9 |
3 |
0 |
0.115 |
25 |
47 |
|
X |
61 |
16 |
10091 |
◊ |
P |
x,y,z |
1_555 |
56 |
13 |
12802 |
543.7 |
-0.3 |
0.603 |
11 |
4 |
0 |
0.015 |
48 |
|
J |
58 |
15 |
10081 |
◊ |
B |
x,y,z |
1_555 |
56 |
13 |
12796 |
542.4 |
-0.3 |
0.596 |
11 |
4 |
0 |
0.015 |
Average: |
543.1 |
-0.3 |
0.600 |
11 |
4 |
0 |
0.015 |
26 |
49 |
|
Z |
59 |
16 |
11754 |
◊ |
R |
x,y,z |
1_555 |
58 |
14 |
12182 |
540.6 |
1.7 |
0.756 |
8 |
4 |
0 |
0.008 |
50 |
|
L |
55 |
15 |
11752 |
◊ |
D |
x,y,z |
1_555 |
56 |
13 |
12175 |
521.2 |
1.6 |
0.753 |
10 |
4 |
0 |
0.008 |
Average: |
530.9 |
1.7 |
0.755 |
9 |
4 |
0 |
0.008 |
27 |
51 |
|
I |
60 |
16 |
9849 |
◊ |
A |
x,y,z |
1_555 |
46 |
13 |
13376 |
525.5 |
-3.0 |
0.478 |
6 |
1 |
0 |
0.026 |
52 |
|
W |
60 |
16 |
9862 |
◊ |
O |
x,y,z |
1_555 |
47 |
13 |
13356 |
515.4 |
-2.9 |
0.482 |
6 |
1 |
0 |
0.026 |
Average: |
520.4 |
-3.0 |
0.480 |
6 |
1 |
0 |
0.026 |
28 |
53 |
|
W |
50 |
11 |
9862 |
◊ |
P |
x,y,z |
1_555 |
55 |
14 |
12802 |
491.2 |
-1.4 |
0.482 |
5 |
1 |
0 |
0.011 |
54 |
|
I |
47 |
11 |
9849 |
◊ |
B |
x,y,z |
1_555 |
53 |
13 |
12796 |
480.5 |
-1.6 |
0.461 |
6 |
1 |
0 |
0.011 |
Average: |
485.9 |
-1.5 |
0.471 |
6 |
1 |
0 |
0.011 |
29 |
55 |
|
N |
57 |
17 |
9540 |
◊ |
F |
x,y,z |
1_555 |
47 |
12 |
12330 |
475.4 |
-2.1 |
0.471 |
5 |
1 |
0 |
0.022 |
56 |
|
b |
58 |
17 |
9537 |
◊ |
T |
x,y,z |
1_555 |
46 |
12 |
12335 |
474.9 |
-2.0 |
0.480 |
6 |
1 |
0 |
0.022 |
Average: |
475.2 |
-2.1 |
0.475 |
6 |
1 |
0 |
0.022 |
30 |
57 |
|
N |
48 |
16 |
9540 |
◊ |
H |
x,y,z |
1_555 |
54 |
20 |
13687 |
466.5 |
-1.5 |
0.611 |
9 |
5 |
0 |
0.077 |
58 |
|
b |
46 |
16 |
9537 |
◊ |
V |
x,y,z |
1_555 |
56 |
20 |
13287 |
456.0 |
-1.4 |
0.620 |
9 |
5 |
0 |
0.077 |
Average: |
461.2 |
-1.4 |
0.616 |
9 |
5 |
0 |
0.077 |
31 |
59 |
|
M |
54 |
13 |
12532 |
◊ |
F |
x,y,z |
1_555 |
61 |
17 |
12330 |
461.3 |
0.6 |
0.727 |
9 |
6 |
0 |
0.020 |
60 |
|
a |
50 |
13 |
12518 |
◊ |
T |
x,y,z |
1_555 |
60 |
18 |
12335 |
452.2 |
0.6 |
0.726 |
9 |
7 |
0 |
0.020 |
Average: |
456.7 |
0.6 |
0.727 |
9 |
7 |
0 |
0.020 |
32 |
61 |
|
[GQQ]H:301 |
38 |
1 |
855 |
cf |
H |
x,y,z |
1_555 |
55 |
23 |
13687 |
451.4 |
-4.9 |
0.343 |
10 |
0 |
0 |
0.284 |
62 |
|
[GQQ]V:301 |
37 |
1 |
852 |
cf |
V |
x,y,z |
1_555 |
58 |
23 |
13287 |
450.5 |
-4.7 |
0.369 |
10 |
0 |
0 |
0.284 |
Average: |
450.9 |
-4.8 |
0.356 |
10 |
0 |
0 |
0.284 |
33 |
63 |
|
N |
50 |
13 |
9540 |
◊ |
G |
x,y,z |
1_555 |
49 |
13 |
12718 |
432.3 |
-1.3 |
0.526 |
3 |
2 |
0 |
0.014 |
64 |
|
b |
52 |
13 |
9537 |
◊ |
U |
x,y,z |
1_555 |
47 |
13 |
12754 |
429.2 |
-1.2 |
0.540 |
3 |
3 |
0 |
0.014 |
Average: |
430.8 |
-1.2 |
0.533 |
3 |
3 |
0 |
0.014 |
34 |
65 |
|
[GQQ]K:301 |
34 |
1 |
864 |
cf |
K |
x,y,z |
1_555 |
56 |
23 |
10288 |
432.3 |
-5.3 |
0.270 |
7 |
0 |
0 |
0.209 |
66 |
|
[GQQ]Y:301 |
34 |
1 |
866 |
cf |
Y |
x,y,z |
1_555 |
56 |
24 |
10284 |
431.8 |
-5.2 |
0.274 |
7 |
0 |
0 |
0.209 |
Average: |
432.0 |
-5.3 |
0.272 |
7 |
0 |
0 |
0.209 |
35 |
67 |
|
K |
36 |
10 |
10288 |
◊ |
D |
x,y,z |
1_555 |
45 |
12 |
12175 |
421.0 |
-2.7 |
0.409 |
3 |
7 |
0 |
0.014 |
68 |
|
Y |
35 |
10 |
10284 |
◊ |
R |
x,y,z |
1_555 |
45 |
12 |
12182 |
414.0 |
-2.8 |
0.395 |
4 |
7 |
0 |
0.014 |
Average: |
417.5 |
-2.8 |
0.402 |
4 |
7 |
0 |
0.014 |
36 |
69 |
|
X |
40 |
10 |
10091 |
◊ |
Q |
x,y,z |
1_555 |
45 |
11 |
12833 |
402.7 |
-2.9 |
0.273 |
5 |
4 |
0 |
0.015 |
70 |
|
J |
41 |
10 |
10081 |
◊ |
C |
x,y,z |
1_555 |
45 |
11 |
12827 |
402.0 |
-2.9 |
0.277 |
5 |
4 |
0 |
0.015 |
Average: |
402.4 |
-2.9 |
0.275 |
5 |
4 |
0 |
0.015 |
37 |
71 |
|
P |
38 |
14 |
12802 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
51 |
14 |
12175 |
372.3 |
-1.4 |
0.502 |
4 |
0 |
0 |
0.000 |
38 |
72 |
|
L |
34 |
9 |
11752 |
◊ |
E |
x,y,z |
1_555 |
48 |
13 |
11744 |
371.9 |
0.2 |
0.556 |
2 |
2 |
0 |
0.005 |
73 |
|
Z |
34 |
9 |
11754 |
◊ |
S |
x,y,z |
1_555 |
46 |
13 |
11749 |
363.9 |
0.2 |
0.568 |
2 |
2 |
0 |
0.005 |
Average: |
367.9 |
0.2 |
0.562 |
2 |
2 |
0 |
0.005 |
39 |
74 |
|
Y |
36 |
14 |
10284 |
◊ |
Q |
x,y,z |
1_555 |
40 |
11 |
12833 |
333.6 |
1.6 |
0.762 |
6 |
8 |
0 |
0.006 |
75 |
|
K |
33 |
12 |
10288 |
◊ |
C |
x,y,z |
1_555 |
40 |
11 |
12827 |
331.2 |
1.6 |
0.762 |
6 |
9 |
0 |
0.006 |
Average: |
332.4 |
1.6 |
0.762 |
6 |
9 |
0 |
0.006 |
40 |
76 |
|
U |
33 |
11 |
12754 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
13 |
13376 |
265.1 |
2.0 |
0.803 |
2 |
1 |
0 |
0.000 |
41 |
77 |
|
U |
37 |
11 |
12754 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
15 |
12718 |
259.4 |
1.2 |
0.718 |
2 |
0 |
0 |
0.000 |
42 |
78 |
|
H |
23 |
4 |
13687 |
◊ |
B |
x,y,z |
1_555 |
34 |
10 |
12796 |
256.4 |
-2.7 |
0.349 |
2 |
0 |
0 |
0.008 |
79 |
|
V |
6 |
1 |
13287 |
◊ |
P |
x,y,z |
1_555 |
21 |
7 |
12802 |
102.4 |
-2.6 |
0.098 |
0 |
0 |
0 |
0.008 |
Average: |
179.4 |
-2.7 |
0.223 |
1 |
0 |
0 |
0.008 |
43 |
80 |
|
R |
30 |
8 |
12182 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
18 |
7 |
12796 |
214.3 |
-2.3 |
0.166 |
1 |
0 |
0 |
0.000 |
44 |
81 |
|
F |
25 |
7 |
12330 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
13376 |
195.7 |
-3.1 |
0.246 |
4 |
0 |
0 |
0.060 |
82 |
|
T |
24 |
7 |
12335 |
◊ |
O |
x,y,z |
1_555 |
17 |
4 |
13356 |
190.7 |
-2.9 |
0.262 |
4 |
0 |
0 |
0.060 |
Average: |
193.2 |
-3.0 |
0.254 |
4 |
0 |
0 |
0.060 |
45 |
83 |
|
T |
22 |
7 |
12335 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
8 |
12330 |
170.4 |
0.6 |
0.710 |
1 |
1 |
0 |
0.000 |
46 |
84 |
|
[GQQ]Y:301 |
12 |
1 |
866 |
◊ |
Z |
x,y,z |
1_555 |
18 |
7 |
11754 |
149.9 |
1.8 |
0.590 |
1 |
0 |
0 |
0.000 |
85 |
|
[GQQ]K:301 |
12 |
1 |
864 |
◊ |
L |
x,y,z |
1_555 |
18 |
7 |
11752 |
147.0 |
1.8 |
0.588 |
1 |
0 |
0 |
0.000 |
Average: |
148.5 |
1.8 |
0.589 |
1 |
0 |
0 |
0.000 |
47 |
86 |
|
[GQQ]H:301 |
13 |
1 |
855 |
◊ |
I |
x,y,z |
1_555 |
14 |
6 |
9849 |
145.9 |
-1.1 |
0.130 |
1 |
0 |
0 |
0.033 |
87 |
|
[GQQ]V:301 |
14 |
1 |
852 |
◊ |
W |
x,y,z |
1_555 |
14 |
6 |
9862 |
143.2 |
-1.2 |
0.132 |
1 |
0 |
0 |
0.033 |
Average: |
144.6 |
-1.1 |
0.131 |
1 |
0 |
0 |
0.033 |
48 |
88 |
|
U |
15 |
3 |
12754 |
◊ |
P |
x,y,z |
1_555 |
14 |
2 |
12802 |
130.2 |
-2.8 |
0.146 |
0 |
0 |
0 |
0.033 |
89 |
|
G |
15 |
3 |
12718 |
◊ |
B |
x,y,z |
1_555 |
13 |
2 |
12796 |
122.4 |
-2.7 |
0.148 |
0 |
0 |
0 |
0.033 |
Average: |
126.3 |
-2.7 |
0.147 |
0 |
0 |
0 |
0.033 |
49 |
90 |
|
F |
14 |
5 |
12330 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
12796 |
129.9 |
0.1 |
0.641 |
1 |
0 |
0 |
0.004 |
91 |
|
T |
14 |
5 |
12335 |
◊ |
P |
x,y,z |
1_555 |
14 |
4 |
12802 |
127.5 |
0.1 |
0.638 |
1 |
0 |
0 |
0.004 |
Average: |
128.7 |
0.1 |
0.639 |
1 |
0 |
0 |
0.004 |
50 |
92 |
|
R |
16 |
5 |
12182 |
◊ |
P |
x,y,z |
1_555 |
13 |
3 |
12802 |
127.8 |
0.9 |
0.733 |
1 |
2 |
0 |
0.000 |
93 |
|
D |
15 |
4 |
12175 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
12796 |
123.4 |
0.8 |
0.723 |
1 |
2 |
0 |
0.000 |
Average: |
125.6 |
0.9 |
0.728 |
1 |
2 |
0 |
0.000 |
51 |
94 |
|
E |
16 |
6 |
11744 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
12796 |
120.7 |
0.9 |
0.684 |
0 |
1 |
0 |
0.000 |
95 |
|
S |
15 |
6 |
11749 |
◊ |
P |
x,y,z |
1_555 |
10 |
4 |
12802 |
110.3 |
0.7 |
0.670 |
0 |
1 |
0 |
0.000 |
Average: |
115.5 |
0.8 |
0.677 |
0 |
1 |
0 |
0.000 |
52 |
96 |
|
T |
14 |
4 |
12335 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
5 |
12718 |
103.7 |
-0.1 |
0.538 |
2 |
0 |
0 |
0.000 |
53 |
97 |
|
Q |
18 |
4 |
12833 |
◊ |
O |
x,y,z |
1_555 |
10 |
3 |
13356 |
102.8 |
-0.7 |
0.458 |
1 |
0 |
0 |
0.011 |
98 |
|
C |
17 |
4 |
12827 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13376 |
91.7 |
-0.7 |
0.455 |
1 |
0 |
0 |
0.011 |
Average: |
97.2 |
-0.7 |
0.457 |
1 |
0 |
0 |
0.011 |
54 |
99 |
|
Y |
14 |
3 |
10284 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
13687 |
101.5 |
-1.9 |
0.234 |
0 |
0 |
0 |
0.016 |
100 |
|
K |
13 |
3 |
10288 |
◊ |
V |
x,y,z |
1_555 |
7 |
2 |
13287 |
101.2 |
-1.9 |
0.239 |
0 |
0 |
0 |
0.016 |
Average: |
101.3 |
-1.9 |
0.237 |
0 |
0 |
0 |
0.016 |
55 |
101 |
|
a |
8 |
3 |
12518 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
12718 |
76.3 |
1.2 |
0.741 |
0 |
0 |
0 |
0.000 |
102 |
|
M |
8 |
3 |
12532 |
◊ |
U |
x,y,z |
1_555 |
9 |
5 |
12754 |
75.6 |
1.1 |
0.728 |
1 |
0 |
0 |
0.000 |
Average: |
75.9 |
1.2 |
0.734 |
1 |
0 |
0 |
0.000 |
56 |
103 |
|
T |
6 |
2 |
12335 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
11744 |
58.6 |
0.5 |
0.564 |
0 |
0 |
0 |
0.000 |
57 |
104 |
|
[CL]G:302 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
6 |
2 |
12718 |
57.9 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.100 |
105 |
|
[CL]U:301 |
1 |
1 |
125 |
f |
U |
x,y,z |
1_555 |
7 |
3 |
12754 |
57.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
57.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.100 |
58 |
106 |
|
[MG]I:301 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
17 |
9 |
9849 |
54.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.197 |
107 |
|
[MG]W:301 |
1 |
1 |
98 |
f |
W |
x,y,z |
1_555 |
16 |
9 |
9862 |
54.3 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.197 |
Average: |
54.6 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.197 |
59 |
108 |
|
[MG]G:301 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
7 |
6 |
12718 |
52.3 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.107 |
60 |
109 |
|
[MG]N:201 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
11 |
7 |
9540 |
49.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.224 |
61 |
110 |
|
[MG]Z:301 |
1 |
1 |
98 |
f |
Z |
x,y,z |
1_555 |
10 |
6 |
11754 |
47.1 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.237 |
62 |
111 |
|
U |
5 |
2 |
12754 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
4 |
12330 |
45.5 |
0.4 |
0.710 |
0 |
0 |
0 |
0.000 |
63 |
112 |
|
E |
3 |
1 |
11744 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
13376 |
43.2 |
-0.8 |
0.212 |
0 |
0 |
0 |
0.010 |
113 |
|
S |
3 |
1 |
11749 |
◊ |
O |
x,y,z |
1_555 |
5 |
1 |
13356 |
40.5 |
-0.8 |
0.220 |
0 |
0 |
0 |
0.010 |
Average: |
41.8 |
-0.8 |
0.216 |
0 |
0 |
0 |
0.010 |
64 |
114 |
|
[MG]Y:302 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
14 |
6 |
9849 |
42.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.092 |
115 |
|
[MG]K:302 |
1 |
1 |
98 |
◊ |
W |
x,y,z |
1_555 |
11 |
4 |
9862 |
36.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
39.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.092 |
65 |
116 |
|
[MG]V:302 |
1 |
1 |
98 |
f |
V |
x,y,z |
1_555 |
9 |
7 |
13287 |
39.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.194 |
66 |
117 |
|
[MG]K:302 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
7 |
6 |
10288 |
39.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.136 |
118 |
|
[MG]Y:302 |
1 |
1 |
98 |
f |
Y |
x,y,z |
1_555 |
8 |
6 |
10284 |
38.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.136 |
Average: |
38.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.136 |
67 |
119 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
V |
x,y,z |
1_555 |
3 |
1 |
13287 |
33.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.016 |
120 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
13687 |
33.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
33.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.016 |
68 |
121 |
|
R |
5 |
1 |
12182 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
13356 |
33.2 |
0.6 |
0.619 |
0 |
0 |
0 |
0.000 |
122 |
|
D |
5 |
1 |
12175 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13376 |
28.6 |
0.5 |
0.615 |
0 |
0 |
0 |
0.000 |
Average: |
30.9 |
0.6 |
0.617 |
0 |
0 |
0 |
0.000 |
69 |
123 |
|
[MG]V:302 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
6 |
3 |
11752 |
31.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.104 |
70 |
124 |
|
[GQQ]V:301 |
2 |
1 |
852 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
11752 |
27.7 |
0.6 |
0.639 |
0 |
0 |
0 |
0.000 |
125 |
|
[GQQ]H:301 |
2 |
1 |
855 |
◊ |
Z |
x,y,z |
1_555 |
3 |
1 |
11754 |
25.6 |
0.6 |
0.639 |
0 |
0 |
0 |
0.000 |
Average: |
26.7 |
0.6 |
0.639 |
0 |
0 |
0 |
0.000 |
71 |
126 |
|
[MG]N:201 |
1 |
1 |
98 |
◊ |
a |
x,y,z |
1_555 |
2 |
2 |
12518 |
25.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.103 |
72 |
127 |
|
[MG]Z:301 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
13687 |
18.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.044 |
73 |
128 |
|
[MG]W:301 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
3 |
2 |
10288 |
17.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.042 |
129 |
|
[MG]I:301 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
2 |
1 |
10284 |
14.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.042 |
Average: |
15.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.042 |
74 |
130 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
13356 |
8.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
131 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13376 |
8.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
8.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
75 |
132 |
|
S |
2 |
1 |
11749 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12827 |
5.1 |
0.1 |
0.662 |
0 |
0 |
0 |
0.000 |
76 |
133 |
|
[MG]Y:302 |
1 |
1 |
98 |
◊ |
[MG]I:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.007 |
|