## |
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 |
152 |
34 |
12876 |
◊ |
B |
x,y,z |
1_555 |
174 |
43 |
12877 |
1573.8 |
-9.0 |
0.305 |
17 |
3 |
0 |
0.502 |
2 |
|
Q |
147 |
32 |
12906 |
◊ |
P |
x,y,z |
1_555 |
169 |
41 |
12886 |
1505.3 |
-10.5 |
0.244 |
18 |
3 |
0 |
0.502 |
Average: |
1539.6 |
-9.7 |
0.275 |
18 |
3 |
0 |
0.502 |
2 |
3 |
|
I |
170 |
48 |
9825 |
◊ |
H |
x,y,z |
1_555 |
154 |
42 |
13007 |
1541.6 |
-13.7 |
0.282 |
26 |
14 |
0 |
0.792 |
4 |
|
W |
169 |
46 |
9820 |
◊ |
V |
x,y,z |
1_555 |
156 |
42 |
13022 |
1538.9 |
-13.8 |
0.282 |
26 |
14 |
0 |
0.792 |
Average: |
1540.3 |
-13.7 |
0.282 |
26 |
14 |
0 |
0.792 |
3 |
5 |
|
L |
159 |
37 |
11739 |
◊ |
V |
x,y,z |
1_555 |
137 |
35 |
13022 |
1404.6 |
-6.6 |
0.503 |
19 |
4 |
0 |
0.804 |
6 |
|
Z |
152 |
36 |
11749 |
◊ |
H |
x,y,z |
1_555 |
136 |
35 |
13007 |
1394.3 |
-6.5 |
0.505 |
18 |
4 |
0 |
0.804 |
Average: |
1399.5 |
-6.5 |
0.504 |
19 |
4 |
0 |
0.804 |
4 |
7 |
|
U |
154 |
41 |
12717 |
◊ |
O |
x,y,z |
1_555 |
140 |
38 |
13138 |
1398.0 |
-16.1 |
0.138 |
16 |
3 |
0 |
0.480 |
8 |
|
G |
152 |
40 |
12714 |
◊ |
A |
x,y,z |
1_555 |
137 |
37 |
13161 |
1378.5 |
-16.0 |
0.136 |
14 |
3 |
0 |
0.480 |
Average: |
1388.2 |
-16.0 |
0.137 |
15 |
3 |
0 |
0.480 |
5 |
9 |
|
G |
138 |
32 |
12714 |
◊ |
F |
x,y,z |
1_555 |
154 |
40 |
12270 |
1360.1 |
-13.2 |
0.176 |
19 |
4 |
0 |
0.544 |
10 |
|
U |
133 |
31 |
12717 |
◊ |
T |
x,y,z |
1_555 |
156 |
40 |
12264 |
1352.0 |
-13.2 |
0.173 |
20 |
4 |
0 |
0.544 |
Average: |
1356.1 |
-13.2 |
0.174 |
20 |
4 |
0 |
0.544 |
6 |
11 |
|
P |
140 |
37 |
12886 |
◊ |
O |
x,y,z |
1_555 |
157 |
43 |
13138 |
1349.7 |
-16.1 |
0.125 |
13 |
1 |
0 |
1.000 |
12 |
|
B |
141 |
36 |
12877 |
◊ |
A |
x,y,z |
1_555 |
149 |
41 |
13161 |
1341.1 |
-16.1 |
0.125 |
14 |
2 |
0 |
1.000 |
Average: |
1345.4 |
-16.1 |
0.125 |
14 |
2 |
0 |
1.000 |
7 |
13 |
|
T |
146 |
34 |
12264 |
◊ |
S |
x,y,z |
1_555 |
145 |
39 |
11755 |
1300.4 |
-12.6 |
0.158 |
13 |
4 |
0 |
1.000 |
14 |
|
F |
147 |
34 |
12270 |
◊ |
E |
x,y,z |
1_555 |
143 |
39 |
11773 |
1292.5 |
-12.5 |
0.164 |
13 |
4 |
0 |
1.000 |
Average: |
1296.5 |
-12.6 |
0.161 |
13 |
4 |
0 |
1.000 |
8 |
15 |
|
N |
134 |
39 |
9545 |
◊ |
1 |
x,y,z |
1_555 |
129 |
28 |
12361 |
1271.7 |
-7.6 |
0.375 |
24 |
3 |
0 |
1.000 |
16 |
|
2 |
136 |
40 |
9545 |
◊ |
M |
x,y,z |
1_555 |
128 |
28 |
12362 |
1267.3 |
-7.5 |
0.377 |
25 |
3 |
0 |
1.000 |
Average: |
1269.5 |
-7.5 |
0.376 |
25 |
3 |
0 |
1.000 |
9 |
17 |
|
D |
127 |
36 |
12632 |
◊ |
C |
x,y,z |
1_555 |
143 |
37 |
12876 |
1270.8 |
-11.2 |
0.133 |
15 |
2 |
0 |
0.544 |
18 |
|
R |
126 |
35 |
12635 |
◊ |
Q |
x,y,z |
1_555 |
141 |
36 |
12906 |
1269.6 |
-11.1 |
0.140 |
16 |
2 |
0 |
0.544 |
Average: |
1270.2 |
-11.2 |
0.137 |
16 |
2 |
0 |
0.544 |
10 |
19 |
|
S |
128 |
37 |
11755 |
◊ |
R |
x,y,z |
1_555 |
130 |
38 |
12635 |
1212.2 |
-8.1 |
0.258 |
15 |
5 |
0 |
1.000 |
20 |
|
E |
119 |
37 |
11773 |
◊ |
D |
x,y,z |
1_555 |
130 |
38 |
12632 |
1183.7 |
-8.1 |
0.256 |
15 |
4 |
0 |
1.000 |
Average: |
1197.9 |
-8.1 |
0.257 |
15 |
5 |
0 |
1.000 |
11 |
21 |
|
K |
101 |
28 |
10213 |
◊ |
W |
x,y,z |
1_555 |
101 |
24 |
9820 |
950.0 |
-2.8 |
0.608 |
16 |
5 |
0 |
0.209 |
22 |
|
Y |
103 |
27 |
10193 |
◊ |
I |
x,y,z |
1_555 |
99 |
24 |
9825 |
947.1 |
-3.5 |
0.557 |
17 |
5 |
0 |
0.209 |
Average: |
948.5 |
-3.1 |
0.583 |
17 |
5 |
0 |
0.209 |
12 |
23 |
|
1 |
93 |
28 |
12361 |
◊ |
Z |
x,y,z |
1_555 |
94 |
29 |
11749 |
929.2 |
1.7 |
0.752 |
13 |
11 |
0 |
0.195 |
24 |
|
M |
92 |
28 |
12362 |
◊ |
L |
x,y,z |
1_555 |
95 |
29 |
11739 |
924.6 |
0.1 |
0.708 |
14 |
11 |
0 |
0.195 |
Average: |
926.9 |
0.9 |
0.730 |
14 |
11 |
0 |
0.195 |
13 |
25 |
|
1 |
89 |
24 |
12361 |
◊ |
H |
x,y,z |
1_555 |
96 |
28 |
13007 |
903.1 |
-10.6 |
0.186 |
4 |
2 |
0 |
0.341 |
26 |
|
M |
87 |
24 |
12362 |
◊ |
V |
x,y,z |
1_555 |
97 |
28 |
13022 |
899.8 |
-10.6 |
0.182 |
4 |
2 |
0 |
0.341 |
Average: |
901.5 |
-10.6 |
0.184 |
4 |
2 |
0 |
0.341 |
14 |
27 |
|
K |
84 |
20 |
10213 |
◊ |
X |
x,y,z |
1_555 |
83 |
19 |
10337 |
769.1 |
-2.1 |
0.526 |
9 |
9 |
0 |
0.159 |
28 |
|
Y |
84 |
20 |
10193 |
◊ |
J |
x,y,z |
1_555 |
85 |
19 |
10325 |
763.6 |
-4.3 |
0.388 |
9 |
9 |
0 |
0.159 |
Average: |
766.4 |
-3.2 |
0.457 |
9 |
9 |
0 |
0.159 |
15 |
29 |
|
Z |
69 |
20 |
11749 |
◊ |
Y |
x,y,z |
1_555 |
78 |
20 |
10193 |
689.3 |
-3.3 |
0.378 |
12 |
5 |
0 |
0.174 |
30 |
|
L |
70 |
20 |
11739 |
◊ |
K |
x,y,z |
1_555 |
77 |
20 |
10213 |
684.5 |
-3.2 |
0.377 |
12 |
5 |
0 |
0.174 |
Average: |
686.9 |
-3.3 |
0.377 |
12 |
5 |
0 |
0.174 |
16 |
31 |
|
L |
82 |
21 |
11739 |
◊ |
W |
x,y,z |
1_555 |
87 |
21 |
9820 |
677.7 |
-3.1 |
0.482 |
8 |
5 |
0 |
0.139 |
32 |
|
Z |
83 |
21 |
11749 |
◊ |
I |
x,y,z |
1_555 |
86 |
21 |
9825 |
676.8 |
-3.0 |
0.490 |
8 |
6 |
0 |
0.139 |
Average: |
677.2 |
-3.1 |
0.486 |
8 |
6 |
0 |
0.139 |
17 |
33 |
|
X |
69 |
18 |
10337 |
◊ |
J |
x,y,z |
1_555 |
70 |
19 |
10325 |
672.9 |
-3.1 |
0.409 |
12 |
1 |
0 |
0.080 |
18 |
34 |
|
H |
60 |
17 |
13007 |
◊ |
A |
x,y,z |
1_555 |
76 |
21 |
13161 |
639.6 |
-4.0 |
0.521 |
9 |
4 |
0 |
0.098 |
35 |
|
V |
60 |
17 |
13022 |
◊ |
O |
x,y,z |
1_555 |
76 |
21 |
13138 |
639.5 |
-4.4 |
0.504 |
11 |
4 |
0 |
0.098 |
Average: |
639.5 |
-4.2 |
0.512 |
10 |
4 |
0 |
0.098 |
19 |
36 |
|
H |
64 |
15 |
13007 |
◊ |
G |
x,y,z |
1_555 |
70 |
17 |
12714 |
637.5 |
-0.2 |
0.659 |
10 |
12 |
0 |
0.070 |
37 |
|
V |
63 |
15 |
13022 |
◊ |
U |
x,y,z |
1_555 |
71 |
17 |
12717 |
636.1 |
-0.2 |
0.663 |
11 |
12 |
0 |
0.070 |
Average: |
636.8 |
-0.2 |
0.661 |
11 |
12 |
0 |
0.070 |
20 |
38 |
|
Y |
70 |
23 |
10193 |
◊ |
X |
x,y,z |
1_555 |
57 |
18 |
10337 |
620.2 |
-1.3 |
0.586 |
7 |
3 |
0 |
0.091 |
39 |
|
K |
71 |
23 |
10213 |
◊ |
J |
x,y,z |
1_555 |
57 |
18 |
10325 |
619.2 |
-1.3 |
0.581 |
7 |
3 |
0 |
0.091 |
Average: |
619.7 |
-1.3 |
0.583 |
7 |
3 |
0 |
0.091 |
21 |
40 |
|
N |
71 |
16 |
9545 |
◊ |
2 |
x,y,z |
1_555 |
69 |
16 |
9545 |
619.3 |
-4.2 |
0.361 |
12 |
4 |
0 |
0.053 |
22 |
41 |
|
N |
62 |
19 |
9545 |
◊ |
M |
x,y,z |
1_555 |
68 |
20 |
12362 |
588.9 |
-1.6 |
0.561 |
8 |
2 |
0 |
0.058 |
42 |
|
2 |
61 |
19 |
9545 |
◊ |
1 |
x,y,z |
1_555 |
68 |
20 |
12361 |
582.7 |
-1.6 |
0.560 |
8 |
2 |
0 |
0.058 |
Average: |
585.8 |
-1.6 |
0.560 |
8 |
2 |
0 |
0.058 |
23 |
43 |
|
M |
65 |
20 |
12362 |
◊ |
E |
x,y,z |
1_555 |
56 |
14 |
11773 |
587.5 |
-2.6 |
0.459 |
8 |
3 |
0 |
0.030 |
44 |
|
1 |
65 |
20 |
12361 |
◊ |
S |
x,y,z |
1_555 |
57 |
14 |
11755 |
582.3 |
-2.4 |
0.468 |
8 |
3 |
0 |
0.030 |
Average: |
584.9 |
-2.5 |
0.463 |
8 |
3 |
0 |
0.030 |
24 |
45 |
|
J |
54 |
19 |
10325 |
◊ |
I |
x,y,z |
1_555 |
64 |
25 |
9825 |
562.0 |
-3.6 |
0.365 |
9 |
3 |
0 |
0.148 |
46 |
|
X |
53 |
19 |
10337 |
◊ |
W |
x,y,z |
1_555 |
63 |
25 |
9820 |
554.5 |
-3.5 |
0.371 |
9 |
3 |
0 |
0.148 |
Average: |
558.2 |
-3.5 |
0.368 |
9 |
3 |
0 |
0.148 |
25 |
47 |
|
J |
52 |
15 |
10325 |
◊ |
B |
x,y,z |
1_555 |
50 |
12 |
12877 |
531.8 |
1.2 |
0.573 |
11 |
3 |
0 |
0.011 |
48 |
|
X |
55 |
15 |
10337 |
◊ |
P |
x,y,z |
1_555 |
51 |
12 |
12886 |
531.0 |
1.1 |
0.582 |
11 |
3 |
0 |
0.011 |
Average: |
531.4 |
1.1 |
0.578 |
11 |
3 |
0 |
0.011 |
26 |
49 |
|
Z |
57 |
16 |
11749 |
◊ |
R |
x,y,z |
1_555 |
59 |
15 |
12635 |
516.3 |
1.6 |
0.758 |
8 |
3 |
0 |
0.007 |
50 |
|
L |
56 |
15 |
11739 |
◊ |
D |
x,y,z |
1_555 |
58 |
14 |
12632 |
508.0 |
1.6 |
0.752 |
8 |
3 |
0 |
0.007 |
Average: |
512.1 |
1.6 |
0.755 |
8 |
3 |
0 |
0.007 |
27 |
51 |
|
I |
59 |
16 |
9825 |
◊ |
A |
x,y,z |
1_555 |
45 |
12 |
13161 |
510.6 |
-3.2 |
0.500 |
6 |
2 |
0 |
0.035 |
52 |
|
W |
58 |
16 |
9820 |
◊ |
O |
x,y,z |
1_555 |
44 |
12 |
13138 |
504.1 |
-3.3 |
0.480 |
6 |
2 |
0 |
0.035 |
Average: |
507.3 |
-3.2 |
0.490 |
6 |
2 |
0 |
0.035 |
28 |
53 |
|
2 |
48 |
18 |
9545 |
◊ |
V |
x,y,z |
1_555 |
53 |
20 |
13022 |
478.1 |
-1.9 |
0.593 |
10 |
5 |
0 |
0.111 |
54 |
|
N |
49 |
18 |
9545 |
◊ |
H |
x,y,z |
1_555 |
53 |
20 |
13007 |
475.3 |
-1.8 |
0.604 |
10 |
5 |
0 |
0.111 |
Average: |
476.7 |
-1.8 |
0.599 |
10 |
5 |
0 |
0.111 |
29 |
55 |
|
W |
44 |
11 |
9820 |
◊ |
P |
x,y,z |
1_555 |
50 |
13 |
12886 |
465.2 |
-2.3 |
0.459 |
7 |
0 |
0 |
0.015 |
56 |
|
I |
44 |
11 |
9825 |
◊ |
B |
x,y,z |
1_555 |
54 |
13 |
12877 |
460.9 |
-2.4 |
0.453 |
6 |
0 |
0 |
0.015 |
Average: |
463.0 |
-2.4 |
0.456 |
7 |
0 |
0 |
0.015 |
30 |
57 |
|
2 |
57 |
15 |
9545 |
◊ |
T |
x,y,z |
1_555 |
41 |
11 |
12264 |
440.4 |
-1.5 |
0.556 |
8 |
3 |
0 |
0.016 |
58 |
|
N |
53 |
15 |
9545 |
◊ |
F |
x,y,z |
1_555 |
44 |
11 |
12270 |
438.3 |
-1.6 |
0.542 |
8 |
3 |
0 |
0.016 |
Average: |
439.3 |
-1.5 |
0.549 |
8 |
3 |
0 |
0.016 |
31 |
59 |
|
P |
42 |
16 |
12886 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
50 |
14 |
12632 |
425.7 |
-0.6 |
0.580 |
3 |
0 |
0 |
0.000 |
32 |
60 |
|
Y |
33 |
10 |
10193 |
◊ |
R |
x,y,z |
1_555 |
43 |
12 |
12635 |
408.5 |
-2.7 |
0.396 |
3 |
8 |
0 |
0.015 |
61 |
|
K |
35 |
10 |
10213 |
◊ |
D |
x,y,z |
1_555 |
44 |
12 |
12632 |
407.5 |
-2.6 |
0.415 |
4 |
7 |
0 |
0.015 |
Average: |
408.0 |
-2.6 |
0.405 |
4 |
8 |
0 |
0.015 |
33 |
62 |
|
N |
46 |
13 |
9545 |
◊ |
G |
x,y,z |
1_555 |
45 |
13 |
12714 |
399.5 |
-2.8 |
0.388 |
2 |
2 |
0 |
0.042 |
63 |
|
2 |
47 |
13 |
9545 |
◊ |
U |
x,y,z |
1_555 |
45 |
13 |
12717 |
397.2 |
-2.8 |
0.394 |
2 |
2 |
0 |
0.042 |
Average: |
398.3 |
-2.8 |
0.391 |
2 |
2 |
0 |
0.042 |
34 |
64 |
|
J |
40 |
9 |
10325 |
◊ |
C |
x,y,z |
1_555 |
46 |
11 |
12876 |
394.9 |
-2.8 |
0.270 |
5 |
4 |
0 |
0.015 |
65 |
|
X |
37 |
8 |
10337 |
◊ |
Q |
x,y,z |
1_555 |
44 |
11 |
12906 |
390.2 |
-2.8 |
0.248 |
5 |
4 |
0 |
0.015 |
Average: |
392.5 |
-2.8 |
0.259 |
5 |
4 |
0 |
0.015 |
35 |
66 |
|
M |
44 |
12 |
12362 |
◊ |
F |
x,y,z |
1_555 |
47 |
15 |
12270 |
369.4 |
-1.6 |
0.563 |
7 |
6 |
0 |
0.016 |
67 |
|
1 |
43 |
12 |
12361 |
◊ |
T |
x,y,z |
1_555 |
47 |
15 |
12264 |
367.9 |
-1.5 |
0.559 |
7 |
6 |
0 |
0.016 |
Average: |
368.6 |
-1.6 |
0.561 |
7 |
6 |
0 |
0.016 |
36 |
68 |
|
[BIQ]V:1001 |
38 |
1 |
909 |
f |
V |
x,y,z |
1_555 |
44 |
20 |
13022 |
364.5 |
-0.3 |
0.711 |
8 |
0 |
0 |
0.196 |
69 |
|
[BIQ]H:1000 |
37 |
1 |
906 |
f |
H |
x,y,z |
1_555 |
44 |
20 |
13007 |
363.1 |
-0.1 |
0.717 |
8 |
0 |
0 |
0.196 |
Average: |
363.8 |
-0.2 |
0.714 |
8 |
0 |
0 |
0.196 |
37 |
70 |
|
Z |
29 |
7 |
11749 |
◊ |
S |
x,y,z |
1_555 |
45 |
12 |
11755 |
342.4 |
0.3 |
0.573 |
4 |
1 |
0 |
0.008 |
71 |
|
L |
27 |
7 |
11739 |
◊ |
E |
x,y,z |
1_555 |
45 |
12 |
11773 |
336.0 |
0.3 |
0.557 |
5 |
1 |
0 |
0.008 |
Average: |
339.2 |
0.3 |
0.565 |
5 |
1 |
0 |
0.008 |
38 |
72 |
|
U |
32 |
9 |
12717 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
39 |
11 |
13161 |
289.2 |
1.8 |
0.812 |
3 |
0 |
0 |
0.000 |
39 |
73 |
|
K |
29 |
13 |
10213 |
◊ |
C |
x,y,z |
1_555 |
28 |
9 |
12876 |
287.5 |
1.7 |
0.785 |
5 |
8 |
0 |
0.005 |
74 |
|
Y |
29 |
13 |
10193 |
◊ |
Q |
x,y,z |
1_555 |
30 |
9 |
12906 |
280.2 |
1.6 |
0.780 |
5 |
8 |
0 |
0.005 |
Average: |
283.9 |
1.6 |
0.783 |
5 |
8 |
0 |
0.005 |
40 |
75 |
|
[BIQ]V:1001 |
22 |
1 |
909 |
◊ |
W |
x,y,z |
1_555 |
32 |
12 |
9820 |
237.0 |
-3.4 |
0.372 |
0 |
0 |
0 |
0.108 |
76 |
|
[BIQ]H:1000 |
22 |
1 |
906 |
◊ |
I |
x,y,z |
1_555 |
32 |
12 |
9825 |
235.2 |
-3.3 |
0.376 |
1 |
0 |
0 |
0.108 |
Average: |
236.1 |
-3.4 |
0.374 |
1 |
0 |
0 |
0.108 |
41 |
77 |
|
R |
33 |
10 |
12635 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
20 |
7 |
12877 |
234.3 |
-1.5 |
0.274 |
3 |
0 |
0 |
0.000 |
42 |
78 |
|
U |
35 |
11 |
12717 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
15 |
12714 |
229.9 |
-0.7 |
0.496 |
0 |
0 |
0 |
0.000 |
43 |
79 |
|
T |
21 |
8 |
12264 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
9 |
12270 |
151.9 |
1.0 |
0.762 |
0 |
1 |
0 |
0.000 |
44 |
80 |
|
T |
16 |
4 |
12264 |
◊ |
O |
x,y,z |
1_555 |
17 |
4 |
13138 |
136.1 |
-1.7 |
0.423 |
3 |
0 |
0 |
0.062 |
81 |
|
F |
16 |
4 |
12270 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
13161 |
135.7 |
-1.6 |
0.420 |
3 |
0 |
0 |
0.062 |
Average: |
135.9 |
-1.7 |
0.422 |
3 |
0 |
0 |
0.062 |
45 |
82 |
|
U |
14 |
3 |
12717 |
◊ |
P |
x,y,z |
1_555 |
14 |
2 |
12886 |
130.9 |
-2.7 |
0.161 |
1 |
0 |
0 |
0.042 |
83 |
|
G |
15 |
4 |
12714 |
◊ |
B |
x,y,z |
1_555 |
15 |
3 |
12877 |
128.5 |
-2.7 |
0.181 |
1 |
0 |
0 |
0.042 |
Average: |
129.7 |
-2.7 |
0.171 |
1 |
0 |
0 |
0.042 |
46 |
84 |
|
T |
15 |
5 |
12264 |
◊ |
P |
x,y,z |
1_555 |
15 |
4 |
12886 |
129.3 |
1.1 |
0.781 |
4 |
0 |
0 |
0.010 |
85 |
|
F |
15 |
5 |
12270 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
12877 |
127.2 |
1.0 |
0.781 |
4 |
0 |
0 |
0.010 |
Average: |
128.2 |
1.0 |
0.781 |
4 |
0 |
0 |
0.010 |
47 |
86 |
|
R |
14 |
4 |
12635 |
◊ |
P |
x,y,z |
1_555 |
12 |
3 |
12886 |
121.3 |
0.5 |
0.697 |
1 |
2 |
0 |
0.008 |
87 |
|
D |
14 |
4 |
12632 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
12877 |
114.8 |
0.5 |
0.694 |
1 |
2 |
0 |
0.008 |
Average: |
118.0 |
0.5 |
0.695 |
1 |
2 |
0 |
0.008 |
48 |
88 |
|
E |
16 |
5 |
11773 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
12877 |
114.3 |
0.3 |
0.611 |
1 |
0 |
0 |
0.004 |
89 |
|
S |
15 |
5 |
11755 |
◊ |
P |
x,y,z |
1_555 |
12 |
4 |
12886 |
108.1 |
0.2 |
0.609 |
1 |
0 |
0 |
0.004 |
Average: |
111.2 |
0.2 |
0.610 |
1 |
0 |
0 |
0.004 |
49 |
90 |
|
T |
16 |
5 |
12264 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
12714 |
102.6 |
-0.4 |
0.555 |
1 |
0 |
0 |
0.000 |
50 |
91 |
|
T |
9 |
2 |
12264 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
4 |
11773 |
89.3 |
-0.6 |
0.481 |
1 |
0 |
0 |
0.000 |
51 |
92 |
|
Y |
10 |
3 |
10193 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
13007 |
84.7 |
-1.4 |
0.277 |
0 |
0 |
0 |
0.012 |
93 |
|
K |
10 |
3 |
10213 |
◊ |
V |
x,y,z |
1_555 |
6 |
2 |
13022 |
83.3 |
-1.4 |
0.284 |
0 |
0 |
0 |
0.012 |
Average: |
84.0 |
-1.4 |
0.281 |
0 |
0 |
0 |
0.012 |
52 |
94 |
|
Q |
14 |
4 |
12906 |
◊ |
O |
x,y,z |
1_555 |
8 |
3 |
13138 |
84.6 |
-1.1 |
0.381 |
0 |
0 |
0 |
0.030 |
95 |
|
C |
13 |
4 |
12876 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
13161 |
78.6 |
-1.2 |
0.360 |
0 |
0 |
0 |
0.030 |
Average: |
81.6 |
-1.2 |
0.371 |
0 |
0 |
0 |
0.030 |
53 |
96 |
|
1 |
7 |
3 |
12361 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
12714 |
72.8 |
1.2 |
0.757 |
0 |
0 |
0 |
0.000 |
97 |
|
M |
7 |
3 |
12362 |
◊ |
U |
x,y,z |
1_555 |
9 |
5 |
12717 |
71.3 |
1.1 |
0.746 |
0 |
0 |
0 |
0.000 |
Average: |
72.1 |
1.1 |
0.751 |
0 |
0 |
0 |
0.000 |
54 |
98 |
|
E |
6 |
2 |
11773 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
13161 |
56.7 |
-0.2 |
0.471 |
1 |
0 |
0 |
0.007 |
99 |
|
S |
5 |
2 |
11755 |
◊ |
O |
x,y,z |
1_555 |
6 |
1 |
13138 |
56.3 |
-0.2 |
0.429 |
1 |
0 |
0 |
0.007 |
Average: |
56.5 |
-0.2 |
0.450 |
1 |
0 |
0 |
0.007 |
55 |
100 |
|
R |
5 |
2 |
12635 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
13138 |
33.7 |
0.7 |
0.777 |
1 |
0 |
0 |
0.000 |
101 |
|
D |
4 |
2 |
12632 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13161 |
29.7 |
0.6 |
0.770 |
1 |
0 |
0 |
0.000 |
Average: |
31.7 |
0.6 |
0.773 |
1 |
0 |
0 |
0.000 |
56 |
102 |
|
V |
5 |
1 |
13022 |
◊ |
P |
x,y,z |
1_555 |
8 |
3 |
12886 |
30.1 |
0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
103 |
|
H |
4 |
1 |
13007 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
12877 |
24.3 |
0.2 |
0.675 |
0 |
0 |
0 |
0.000 |
Average: |
27.2 |
0.2 |
0.666 |
0 |
0 |
0 |
0.000 |
57 |
104 |
|
U |
5 |
2 |
12717 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
12270 |
29.5 |
0.1 |
0.664 |
0 |
0 |
0 |
0.000 |
58 |
105 |
|
S |
1 |
1 |
11755 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12876 |
0.9 |
0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
|