## |
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 |
|
C |
156 |
33 |
12845 |
◊ |
B |
x,y,z |
1_555 |
176 |
42 |
12930 |
1584.7 |
-9.2 |
0.280 |
17 |
3 |
0 |
0.512 |
2 |
|
Q |
147 |
33 |
12842 |
◊ |
P |
x,y,z |
1_555 |
175 |
41 |
12930 |
1548.7 |
-10.8 |
0.216 |
16 |
3 |
0 |
0.512 |
Average: |
1566.7 |
-10.0 |
0.248 |
17 |
3 |
0 |
0.512 |
2 |
3 |
|
W |
167 |
48 |
9834 |
◊ |
V |
x,y,z |
1_555 |
153 |
41 |
13003 |
1539.7 |
-12.8 |
0.293 |
24 |
15 |
0 |
0.809 |
4 |
|
I |
164 |
47 |
9827 |
◊ |
H |
x,y,z |
1_555 |
157 |
42 |
12988 |
1537.6 |
-12.9 |
0.294 |
24 |
15 |
0 |
0.809 |
Average: |
1538.7 |
-12.8 |
0.294 |
24 |
15 |
0 |
0.809 |
3 |
5 |
|
U |
156 |
40 |
12660 |
◊ |
O |
x,y,z |
1_555 |
141 |
38 |
13148 |
1415.9 |
-16.3 |
0.132 |
14 |
4 |
0 |
0.319 |
6 |
|
G |
156 |
41 |
12657 |
◊ |
A |
x,y,z |
1_555 |
140 |
36 |
13155 |
1398.5 |
-15.7 |
0.151 |
16 |
4 |
0 |
0.319 |
Average: |
1407.2 |
-16.0 |
0.141 |
15 |
4 |
0 |
0.319 |
4 |
7 |
|
Z |
151 |
37 |
11758 |
◊ |
H |
x,y,z |
1_555 |
135 |
35 |
12988 |
1391.6 |
-6.2 |
0.490 |
19 |
4 |
0 |
0.888 |
8 |
|
L |
149 |
38 |
11758 |
◊ |
V |
x,y,z |
1_555 |
135 |
35 |
13003 |
1390.5 |
-6.2 |
0.492 |
19 |
4 |
0 |
0.888 |
Average: |
1391.0 |
-6.2 |
0.491 |
19 |
4 |
0 |
0.888 |
5 |
9 |
|
U |
132 |
32 |
12660 |
◊ |
T |
x,y,z |
1_555 |
153 |
40 |
12249 |
1363.1 |
-13.0 |
0.177 |
19 |
3 |
0 |
0.541 |
10 |
|
G |
134 |
32 |
12657 |
◊ |
F |
x,y,z |
1_555 |
154 |
40 |
12247 |
1360.7 |
-13.0 |
0.177 |
19 |
3 |
0 |
0.541 |
Average: |
1361.9 |
-13.0 |
0.177 |
19 |
3 |
0 |
0.541 |
6 |
11 |
|
P |
148 |
39 |
12930 |
◊ |
O |
x,y,z |
1_555 |
153 |
41 |
13148 |
1351.0 |
-17.0 |
0.099 |
13 |
1 |
0 |
0.551 |
12 |
|
B |
146 |
38 |
12930 |
◊ |
A |
x,y,z |
1_555 |
152 |
41 |
13155 |
1339.7 |
-17.0 |
0.101 |
12 |
1 |
0 |
0.551 |
Average: |
1345.3 |
-17.0 |
0.100 |
13 |
1 |
0 |
0.551 |
7 |
13 |
|
T |
144 |
34 |
12249 |
◊ |
S |
x,y,z |
1_555 |
145 |
39 |
11838 |
1302.7 |
-12.2 |
0.176 |
13 |
4 |
0 |
1.000 |
14 |
|
F |
145 |
34 |
12247 |
◊ |
E |
x,y,z |
1_555 |
145 |
39 |
11840 |
1299.5 |
-12.7 |
0.153 |
14 |
4 |
0 |
1.000 |
Average: |
1301.1 |
-12.4 |
0.164 |
14 |
4 |
0 |
1.000 |
8 |
15 |
|
N |
143 |
42 |
9497 |
◊ |
1 |
x,y,z |
1_555 |
132 |
30 |
12317 |
1279.8 |
-7.0 |
0.430 |
24 |
4 |
0 |
0.839 |
16 |
|
2 |
144 |
42 |
9496 |
◊ |
M |
x,y,z |
1_555 |
135 |
30 |
12339 |
1273.5 |
-7.1 |
0.438 |
24 |
4 |
0 |
0.839 |
Average: |
1276.7 |
-7.0 |
0.434 |
24 |
4 |
0 |
0.839 |
9 |
17 |
|
D |
129 |
35 |
12677 |
◊ |
C |
x,y,z |
1_555 |
142 |
38 |
12845 |
1252.5 |
-10.8 |
0.137 |
15 |
2 |
0 |
0.544 |
18 |
|
R |
128 |
34 |
12682 |
◊ |
Q |
x,y,z |
1_555 |
141 |
37 |
12842 |
1252.5 |
-10.7 |
0.139 |
15 |
2 |
0 |
0.544 |
Average: |
1252.5 |
-10.7 |
0.138 |
15 |
2 |
0 |
0.544 |
10 |
19 |
|
S |
123 |
37 |
11838 |
◊ |
R |
x,y,z |
1_555 |
127 |
36 |
12682 |
1178.4 |
-8.0 |
0.237 |
14 |
4 |
0 |
1.000 |
20 |
|
E |
122 |
37 |
11840 |
◊ |
D |
x,y,z |
1_555 |
127 |
37 |
12677 |
1177.8 |
-8.0 |
0.232 |
14 |
4 |
0 |
1.000 |
Average: |
1178.1 |
-8.0 |
0.234 |
14 |
4 |
0 |
1.000 |
11 |
21 |
|
Y |
108 |
26 |
10274 |
◊ |
I |
x,y,z |
1_555 |
101 |
24 |
9827 |
962.3 |
-2.7 |
0.614 |
19 |
5 |
0 |
0.350 |
22 |
|
K |
108 |
26 |
10279 |
◊ |
W |
x,y,z |
1_555 |
102 |
24 |
9834 |
959.7 |
-2.5 |
0.621 |
19 |
5 |
0 |
0.350 |
Average: |
961.0 |
-2.6 |
0.617 |
19 |
5 |
0 |
0.350 |
12 |
23 |
|
1 |
91 |
28 |
12317 |
◊ |
Z |
x,y,z |
1_555 |
98 |
31 |
11758 |
914.2 |
-0.6 |
0.651 |
14 |
10 |
0 |
0.216 |
24 |
|
M |
93 |
28 |
12339 |
◊ |
L |
x,y,z |
1_555 |
97 |
30 |
11758 |
913.9 |
-0.7 |
0.646 |
14 |
9 |
0 |
0.216 |
Average: |
914.1 |
-0.7 |
0.648 |
14 |
10 |
0 |
0.216 |
13 |
25 |
|
1 |
87 |
23 |
12317 |
◊ |
H |
x,y,z |
1_555 |
95 |
26 |
12988 |
883.9 |
-10.9 |
0.166 |
4 |
2 |
0 |
0.869 |
26 |
|
M |
87 |
23 |
12339 |
◊ |
V |
x,y,z |
1_555 |
95 |
26 |
13003 |
880.8 |
-10.7 |
0.173 |
4 |
2 |
0 |
0.869 |
Average: |
882.4 |
-10.8 |
0.169 |
4 |
2 |
0 |
0.869 |
14 |
27 |
|
K |
90 |
22 |
10279 |
◊ |
X |
x,y,z |
1_555 |
88 |
19 |
10272 |
805.5 |
-1.1 |
0.602 |
9 |
10 |
0 |
0.110 |
28 |
|
Y |
89 |
22 |
10274 |
◊ |
J |
x,y,z |
1_555 |
88 |
19 |
10259 |
802.5 |
-0.9 |
0.613 |
9 |
10 |
0 |
0.110 |
Average: |
804.0 |
-1.0 |
0.608 |
9 |
10 |
0 |
0.110 |
15 |
29 |
|
Z |
79 |
20 |
11758 |
◊ |
I |
x,y,z |
1_555 |
86 |
21 |
9827 |
693.3 |
-3.3 |
0.437 |
7 |
6 |
0 |
0.217 |
30 |
|
L |
79 |
20 |
11758 |
◊ |
W |
x,y,z |
1_555 |
86 |
21 |
9834 |
693.0 |
-3.3 |
0.439 |
7 |
6 |
0 |
0.217 |
Average: |
693.2 |
-3.3 |
0.438 |
7 |
6 |
0 |
0.217 |
16 |
31 |
|
X |
75 |
18 |
10272 |
◊ |
J |
x,y,z |
1_555 |
75 |
18 |
10259 |
679.4 |
-2.8 |
0.434 |
13 |
0 |
0 |
0.073 |
17 |
32 |
|
Z |
73 |
22 |
11758 |
◊ |
Y |
x,y,z |
1_555 |
72 |
21 |
10274 |
656.8 |
-2.5 |
0.402 |
14 |
6 |
0 |
0.284 |
33 |
|
L |
71 |
21 |
11758 |
◊ |
K |
x,y,z |
1_555 |
71 |
20 |
10279 |
656.6 |
-2.4 |
0.391 |
14 |
6 |
0 |
0.284 |
Average: |
656.7 |
-2.4 |
0.396 |
14 |
6 |
0 |
0.284 |
18 |
34 |
|
H |
62 |
15 |
12988 |
◊ |
G |
x,y,z |
1_555 |
68 |
17 |
12657 |
638.5 |
-0.8 |
0.633 |
10 |
13 |
0 |
0.073 |
35 |
|
V |
63 |
15 |
13003 |
◊ |
U |
x,y,z |
1_555 |
70 |
17 |
12660 |
637.4 |
-0.8 |
0.637 |
10 |
12 |
0 |
0.073 |
Average: |
638.0 |
-0.8 |
0.635 |
10 |
13 |
0 |
0.073 |
19 |
36 |
|
V |
59 |
17 |
13003 |
◊ |
O |
x,y,z |
1_555 |
75 |
20 |
13148 |
629.7 |
-3.5 |
0.531 |
10 |
4 |
0 |
0.088 |
37 |
|
H |
59 |
17 |
12988 |
◊ |
A |
x,y,z |
1_555 |
73 |
21 |
13155 |
628.9 |
-3.4 |
0.534 |
10 |
5 |
0 |
0.088 |
Average: |
629.3 |
-3.4 |
0.532 |
10 |
5 |
0 |
0.088 |
20 |
38 |
|
N |
70 |
16 |
9497 |
◊ |
2 |
x,y,z |
1_555 |
69 |
16 |
9496 |
619.3 |
-3.4 |
0.428 |
10 |
4 |
0 |
0.044 |
21 |
39 |
|
K |
70 |
23 |
10279 |
◊ |
J |
x,y,z |
1_555 |
57 |
18 |
10259 |
615.1 |
-1.5 |
0.557 |
9 |
3 |
0 |
0.101 |
40 |
|
Y |
70 |
23 |
10274 |
◊ |
X |
x,y,z |
1_555 |
60 |
18 |
10272 |
613.6 |
-1.5 |
0.564 |
9 |
3 |
0 |
0.101 |
Average: |
614.3 |
-1.5 |
0.561 |
9 |
3 |
0 |
0.101 |
22 |
41 |
|
1 |
64 |
19 |
12317 |
◊ |
S |
x,y,z |
1_555 |
54 |
14 |
11838 |
584.6 |
-2.3 |
0.463 |
7 |
3 |
0 |
0.016 |
42 |
|
M |
65 |
19 |
12339 |
◊ |
E |
x,y,z |
1_555 |
55 |
14 |
11840 |
580.1 |
-2.3 |
0.465 |
7 |
3 |
0 |
0.016 |
Average: |
582.3 |
-2.3 |
0.464 |
7 |
3 |
0 |
0.016 |
23 |
43 |
|
N |
58 |
18 |
9497 |
◊ |
M |
x,y,z |
1_555 |
67 |
21 |
12339 |
581.8 |
-1.8 |
0.542 |
8 |
2 |
0 |
0.059 |
44 |
|
2 |
59 |
19 |
9496 |
◊ |
1 |
x,y,z |
1_555 |
69 |
22 |
12317 |
579.6 |
-1.8 |
0.544 |
8 |
2 |
0 |
0.059 |
Average: |
580.7 |
-1.8 |
0.543 |
8 |
2 |
0 |
0.059 |
24 |
45 |
|
J |
59 |
22 |
10259 |
◊ |
I |
x,y,z |
1_555 |
67 |
26 |
9827 |
564.9 |
-3.9 |
0.339 |
9 |
4 |
0 |
0.145 |
46 |
|
X |
57 |
22 |
10272 |
◊ |
W |
x,y,z |
1_555 |
67 |
26 |
9834 |
561.1 |
-3.8 |
0.351 |
9 |
5 |
0 |
0.145 |
Average: |
563.0 |
-3.9 |
0.345 |
9 |
5 |
0 |
0.145 |
25 |
47 |
|
J |
55 |
15 |
10259 |
◊ |
B |
x,y,z |
1_555 |
52 |
12 |
12930 |
532.0 |
1.1 |
0.575 |
10 |
3 |
0 |
0.010 |
48 |
|
X |
56 |
15 |
10272 |
◊ |
P |
x,y,z |
1_555 |
52 |
12 |
12930 |
531.5 |
1.0 |
0.580 |
10 |
3 |
0 |
0.010 |
Average: |
531.8 |
1.0 |
0.577 |
10 |
3 |
0 |
0.010 |
26 |
49 |
|
I |
59 |
17 |
9827 |
◊ |
A |
x,y,z |
1_555 |
44 |
12 |
13155 |
510.6 |
-2.5 |
0.536 |
6 |
2 |
0 |
0.038 |
50 |
|
W |
59 |
16 |
9834 |
◊ |
O |
x,y,z |
1_555 |
44 |
12 |
13148 |
498.9 |
-2.4 |
0.546 |
6 |
2 |
0 |
0.038 |
Average: |
504.7 |
-2.5 |
0.541 |
6 |
2 |
0 |
0.038 |
27 |
51 |
|
Z |
55 |
15 |
11758 |
◊ |
R |
x,y,z |
1_555 |
54 |
13 |
12682 |
485.2 |
2.2 |
0.765 |
9 |
2 |
0 |
0.006 |
52 |
|
L |
53 |
15 |
11758 |
◊ |
D |
x,y,z |
1_555 |
54 |
13 |
12677 |
481.2 |
2.2 |
0.761 |
9 |
3 |
0 |
0.006 |
Average: |
483.2 |
2.2 |
0.763 |
9 |
3 |
0 |
0.006 |
28 |
53 |
|
N |
51 |
16 |
9497 |
◊ |
H |
x,y,z |
1_555 |
53 |
20 |
12988 |
468.9 |
-2.0 |
0.587 |
9 |
5 |
0 |
0.099 |
54 |
|
2 |
51 |
16 |
9496 |
◊ |
V |
x,y,z |
1_555 |
51 |
20 |
13003 |
466.6 |
-1.9 |
0.595 |
9 |
5 |
0 |
0.099 |
Average: |
467.8 |
-1.9 |
0.591 |
9 |
5 |
0 |
0.099 |
29 |
55 |
|
W |
40 |
9 |
9834 |
◊ |
P |
x,y,z |
1_555 |
52 |
13 |
12930 |
459.7 |
-2.7 |
0.387 |
5 |
0 |
0 |
0.013 |
56 |
|
I |
40 |
9 |
9827 |
◊ |
B |
x,y,z |
1_555 |
51 |
13 |
12930 |
458.2 |
-2.9 |
0.370 |
4 |
0 |
0 |
0.013 |
Average: |
459.0 |
-2.8 |
0.379 |
5 |
0 |
0 |
0.013 |
30 |
57 |
|
2 |
55 |
15 |
9496 |
◊ |
T |
x,y,z |
1_555 |
46 |
11 |
12249 |
442.3 |
-2.7 |
0.461 |
7 |
2 |
0 |
0.046 |
58 |
|
N |
53 |
14 |
9497 |
◊ |
F |
x,y,z |
1_555 |
47 |
11 |
12247 |
438.0 |
-2.6 |
0.461 |
7 |
2 |
0 |
0.046 |
Average: |
440.2 |
-2.6 |
0.461 |
7 |
2 |
0 |
0.046 |
31 |
59 |
|
[FEB]2:0 |
37 |
1 |
833 |
cf |
2 |
x,y,z |
1_555 |
53 |
20 |
9496 |
428.2 |
0.9 |
0.456 |
10 |
0 |
0 |
0.163 |
60 |
|
[FEB]N:0 |
35 |
1 |
829 |
cf |
N |
x,y,z |
1_555 |
53 |
20 |
9497 |
426.4 |
0.9 |
0.454 |
10 |
0 |
0 |
0.163 |
Average: |
427.3 |
0.9 |
0.455 |
10 |
0 |
0 |
0.163 |
32 |
61 |
|
2 |
46 |
13 |
9496 |
◊ |
U |
x,y,z |
1_555 |
47 |
13 |
12660 |
404.4 |
-2.9 |
0.387 |
3 |
1 |
0 |
0.045 |
62 |
|
N |
46 |
12 |
9497 |
◊ |
G |
x,y,z |
1_555 |
46 |
13 |
12657 |
401.0 |
-2.9 |
0.382 |
3 |
1 |
0 |
0.045 |
Average: |
402.7 |
-2.9 |
0.385 |
3 |
1 |
0 |
0.045 |
33 |
63 |
|
P |
41 |
16 |
12930 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
50 |
14 |
12677 |
399.5 |
-0.2 |
0.604 |
3 |
0 |
0 |
0.000 |
34 |
64 |
|
Y |
37 |
10 |
10274 |
◊ |
R |
x,y,z |
1_555 |
42 |
11 |
12682 |
399.1 |
-2.8 |
0.378 |
4 |
8 |
0 |
0.015 |
65 |
|
K |
37 |
10 |
10279 |
◊ |
D |
x,y,z |
1_555 |
40 |
10 |
12677 |
396.0 |
-2.7 |
0.388 |
4 |
8 |
0 |
0.015 |
Average: |
397.6 |
-2.8 |
0.383 |
4 |
8 |
0 |
0.015 |
35 |
66 |
|
J |
41 |
9 |
10259 |
◊ |
C |
x,y,z |
1_555 |
46 |
12 |
12845 |
396.4 |
-3.0 |
0.261 |
5 |
4 |
0 |
0.016 |
67 |
|
X |
40 |
9 |
10272 |
◊ |
Q |
x,y,z |
1_555 |
47 |
12 |
12842 |
391.6 |
-3.1 |
0.257 |
5 |
4 |
0 |
0.016 |
Average: |
394.0 |
-3.1 |
0.259 |
5 |
4 |
0 |
0.016 |
36 |
68 |
|
1 |
44 |
12 |
12317 |
◊ |
T |
x,y,z |
1_555 |
50 |
16 |
12249 |
383.6 |
-0.7 |
0.647 |
6 |
6 |
0 |
0.032 |
69 |
|
M |
45 |
12 |
12339 |
◊ |
F |
x,y,z |
1_555 |
49 |
15 |
12247 |
380.2 |
-0.6 |
0.657 |
6 |
6 |
0 |
0.032 |
Average: |
381.9 |
-0.6 |
0.652 |
6 |
6 |
0 |
0.032 |
37 |
70 |
|
[FEB]V:0 |
30 |
1 |
921 |
cf |
V |
x,y,z |
1_555 |
52 |
22 |
13003 |
357.2 |
1.6 |
0.728 |
8 |
0 |
0 |
0.135 |
71 |
|
[FEB]H:0 |
30 |
1 |
922 |
cf |
H |
x,y,z |
1_555 |
51 |
21 |
12988 |
356.0 |
1.5 |
0.725 |
8 |
0 |
0 |
0.135 |
Average: |
356.6 |
1.6 |
0.726 |
8 |
0 |
0 |
0.135 |
38 |
72 |
|
Z |
29 |
7 |
11758 |
◊ |
S |
x,y,z |
1_555 |
46 |
12 |
11838 |
349.5 |
0.4 |
0.583 |
3 |
1 |
0 |
0.003 |
73 |
|
L |
29 |
7 |
11758 |
◊ |
E |
x,y,z |
1_555 |
48 |
12 |
11840 |
348.9 |
0.3 |
0.573 |
3 |
1 |
0 |
0.003 |
Average: |
349.2 |
0.3 |
0.578 |
3 |
1 |
0 |
0.003 |
39 |
74 |
|
[FEB]Y:0 |
28 |
1 |
918 |
cf |
Y |
x,y,z |
1_555 |
48 |
21 |
10274 |
345.3 |
1.1 |
0.561 |
5 |
0 |
0 |
0.100 |
75 |
|
[FEB]K:0 |
27 |
1 |
922 |
cf |
K |
x,y,z |
1_555 |
45 |
21 |
10279 |
344.2 |
1.2 |
0.554 |
5 |
0 |
0 |
0.100 |
Average: |
344.7 |
1.2 |
0.557 |
5 |
0 |
0 |
0.100 |
40 |
76 |
|
U |
35 |
10 |
12660 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
11 |
13155 |
295.8 |
0.9 |
0.758 |
1 |
0 |
0 |
0.000 |
41 |
77 |
|
K |
31 |
14 |
10279 |
◊ |
C |
x,y,z |
1_555 |
31 |
9 |
12845 |
282.2 |
1.4 |
0.761 |
5 |
9 |
0 |
0.006 |
78 |
|
Y |
31 |
14 |
10274 |
◊ |
Q |
x,y,z |
1_555 |
31 |
9 |
12842 |
279.5 |
1.4 |
0.758 |
5 |
9 |
0 |
0.006 |
Average: |
280.8 |
1.4 |
0.760 |
5 |
9 |
0 |
0.006 |
42 |
79 |
|
[FEB]Y:0 |
19 |
1 |
918 |
◊ |
Z |
x,y,z |
1_555 |
31 |
10 |
11758 |
229.7 |
-3.1 |
0.372 |
2 |
0 |
0 |
0.118 |
80 |
|
[FEB]K:0 |
19 |
1 |
922 |
◊ |
L |
x,y,z |
1_555 |
31 |
10 |
11758 |
229.3 |
-3.1 |
0.370 |
2 |
0 |
0 |
0.118 |
Average: |
229.5 |
-3.1 |
0.371 |
2 |
0 |
0 |
0.118 |
43 |
81 |
|
[FEB]H:0 |
19 |
1 |
922 |
◊ |
I |
x,y,z |
1_555 |
27 |
10 |
9827 |
227.9 |
-3.7 |
0.272 |
1 |
0 |
0 |
0.131 |
82 |
|
[FEB]V:0 |
18 |
1 |
921 |
◊ |
W |
x,y,z |
1_555 |
26 |
10 |
9834 |
227.4 |
-3.7 |
0.252 |
1 |
0 |
0 |
0.131 |
Average: |
227.7 |
-3.7 |
0.262 |
1 |
0 |
0 |
0.131 |
44 |
83 |
|
U |
30 |
10 |
12660 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
12 |
12657 |
217.4 |
0.0 |
0.525 |
0 |
0 |
0 |
0.000 |
45 |
84 |
|
R |
26 |
8 |
12682 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
14 |
5 |
12930 |
197.4 |
-1.6 |
0.213 |
1 |
0 |
0 |
0.000 |
46 |
85 |
|
F |
16 |
4 |
12247 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
13155 |
139.1 |
-1.4 |
0.466 |
3 |
0 |
0 |
0.038 |
86 |
|
T |
15 |
4 |
12249 |
◊ |
O |
x,y,z |
1_555 |
16 |
4 |
13148 |
133.2 |
-1.5 |
0.452 |
3 |
0 |
0 |
0.038 |
Average: |
136.1 |
-1.4 |
0.459 |
3 |
0 |
0 |
0.038 |
47 |
87 |
|
F |
15 |
5 |
12247 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
12930 |
132.0 |
0.4 |
0.686 |
1 |
0 |
0 |
0.002 |
88 |
|
T |
16 |
5 |
12249 |
◊ |
P |
x,y,z |
1_555 |
15 |
4 |
12930 |
130.3 |
0.3 |
0.682 |
1 |
0 |
0 |
0.002 |
Average: |
131.2 |
0.3 |
0.684 |
1 |
0 |
0 |
0.002 |
48 |
89 |
|
G |
15 |
4 |
12657 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
12930 |
124.9 |
-2.5 |
0.192 |
0 |
0 |
0 |
0.035 |
90 |
|
U |
15 |
4 |
12660 |
◊ |
P |
x,y,z |
1_555 |
14 |
3 |
12930 |
121.2 |
-2.5 |
0.201 |
0 |
0 |
0 |
0.035 |
Average: |
123.0 |
-2.5 |
0.196 |
0 |
0 |
0 |
0.035 |
49 |
91 |
|
S |
15 |
6 |
11838 |
◊ |
P |
x,y,z |
1_555 |
12 |
4 |
12930 |
118.1 |
0.3 |
0.617 |
1 |
0 |
0 |
0.002 |
92 |
|
E |
15 |
6 |
11840 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
12930 |
117.3 |
0.3 |
0.615 |
1 |
0 |
0 |
0.002 |
Average: |
117.7 |
0.3 |
0.616 |
1 |
0 |
0 |
0.002 |
50 |
93 |
|
K |
13 |
3 |
10279 |
◊ |
V |
x,y,z |
1_555 |
7 |
2 |
13003 |
111.5 |
-1.1 |
0.413 |
0 |
0 |
0 |
0.011 |
94 |
|
Y |
13 |
3 |
10274 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
12988 |
110.0 |
-1.0 |
0.419 |
0 |
0 |
0 |
0.011 |
Average: |
110.7 |
-1.1 |
0.416 |
0 |
0 |
0 |
0.011 |
51 |
95 |
|
T |
17 |
7 |
12249 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
8 |
12247 |
111.1 |
0.4 |
0.693 |
0 |
0 |
0 |
0.000 |
52 |
96 |
|
R |
13 |
4 |
12682 |
◊ |
P |
x,y,z |
1_555 |
10 |
3 |
12930 |
110.4 |
0.9 |
0.748 |
1 |
2 |
0 |
0.000 |
97 |
|
D |
13 |
4 |
12677 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
12930 |
105.8 |
0.8 |
0.737 |
1 |
2 |
0 |
0.000 |
Average: |
108.1 |
0.9 |
0.743 |
1 |
2 |
0 |
0.000 |
53 |
98 |
|
T |
16 |
5 |
12249 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
5 |
12657 |
94.8 |
-0.4 |
0.541 |
2 |
0 |
0 |
0.000 |
54 |
99 |
|
[FEB]2:0 |
6 |
1 |
833 |
◊ |
V |
x,y,z |
1_555 |
15 |
4 |
13003 |
87.9 |
-0.8 |
0.382 |
0 |
0 |
0 |
0.012 |
100 |
|
[FEB]N:0 |
6 |
1 |
829 |
◊ |
H |
x,y,z |
1_555 |
15 |
4 |
12988 |
86.9 |
-0.7 |
0.383 |
0 |
0 |
0 |
0.012 |
Average: |
87.4 |
-0.8 |
0.382 |
0 |
0 |
0 |
0.012 |
55 |
101 |
|
Q |
14 |
4 |
12842 |
◊ |
O |
x,y,z |
1_555 |
8 |
3 |
13148 |
85.1 |
-1.1 |
0.387 |
0 |
0 |
0 |
0.029 |
102 |
|
C |
13 |
3 |
12845 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
13155 |
80.0 |
-1.2 |
0.367 |
0 |
0 |
0 |
0.029 |
Average: |
82.5 |
-1.2 |
0.377 |
0 |
0 |
0 |
0.029 |
56 |
103 |
|
T |
6 |
2 |
12249 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
4 |
11840 |
74.1 |
-0.3 |
0.492 |
0 |
0 |
0 |
0.000 |
57 |
104 |
|
1 |
7 |
3 |
12317 |
◊ |
G |
x,y,z |
1_555 |
9 |
5 |
12657 |
65.4 |
1.0 |
0.725 |
1 |
0 |
0 |
0.000 |
105 |
|
M |
7 |
3 |
12339 |
◊ |
U |
x,y,z |
1_555 |
8 |
4 |
12660 |
64.6 |
0.9 |
0.709 |
1 |
0 |
0 |
0.000 |
Average: |
65.0 |
0.9 |
0.717 |
1 |
0 |
0 |
0.000 |
58 |
106 |
|
S |
7 |
2 |
11838 |
◊ |
O |
x,y,z |
1_555 |
6 |
1 |
13148 |
60.3 |
-0.4 |
0.447 |
1 |
0 |
0 |
0.009 |
107 |
|
E |
7 |
2 |
11840 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
13155 |
59.7 |
-0.3 |
0.449 |
1 |
0 |
0 |
0.009 |
Average: |
60.0 |
-0.3 |
0.448 |
1 |
0 |
0 |
0.009 |
59 |
108 |
|
R |
3 |
2 |
12682 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
13148 |
29.0 |
0.6 |
0.788 |
1 |
0 |
0 |
0.000 |
109 |
|
D |
3 |
2 |
12677 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13155 |
25.4 |
0.5 |
0.775 |
0 |
0 |
0 |
0.000 |
Average: |
27.2 |
0.5 |
0.782 |
1 |
0 |
0 |
0.000 |
60 |
110 |
|
V |
5 |
1 |
13003 |
◊ |
P |
x,y,z |
1_555 |
7 |
3 |
12930 |
27.7 |
0.2 |
0.667 |
0 |
0 |
0 |
0.000 |
111 |
|
H |
5 |
1 |
12988 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
12930 |
20.8 |
0.2 |
0.680 |
0 |
0 |
0 |
0.000 |
Average: |
24.2 |
0.2 |
0.674 |
0 |
0 |
0 |
0.000 |
61 |
112 |
|
U |
1 |
1 |
12660 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
2 |
12247 |
9.5 |
0.2 |
0.589 |
0 |
0 |
0 |
0.000 |
62 |
113 |
|
S |
1 |
1 |
11838 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12845 |
8.4 |
0.0 |
0.453 |
0 |
0 |
0 |
0.000 |
|