## |
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 |
179 |
52 |
9866 |
◊ |
H |
x,y,z |
1_555 |
162 |
43 |
13658 |
1620.8 |
-15.0 |
0.237 |
28 |
18 |
0 |
0.791 |
2 |
|
W |
179 |
54 |
9861 |
◊ |
V |
x,y,z |
1_555 |
159 |
42 |
13638 |
1607.8 |
-14.6 |
0.237 |
28 |
18 |
0 |
0.791 |
Average: |
1614.3 |
-14.8 |
0.237 |
28 |
18 |
0 |
0.791 |
2 |
3 |
|
C |
148 |
35 |
12782 |
◊ |
B |
x,y,z |
1_555 |
176 |
42 |
12662 |
1544.9 |
-10.5 |
0.242 |
19 |
3 |
0 |
0.314 |
4 |
|
Q |
148 |
34 |
12784 |
◊ |
P |
x,y,z |
1_555 |
176 |
42 |
12633 |
1524.5 |
-10.3 |
0.244 |
20 |
3 |
0 |
0.314 |
Average: |
1534.7 |
-10.4 |
0.243 |
20 |
3 |
0 |
0.314 |
3 |
5 |
|
L |
160 |
38 |
11982 |
◊ |
V |
x,y,z |
1_555 |
140 |
35 |
13638 |
1434.9 |
-7.3 |
0.440 |
19 |
4 |
0 |
0.638 |
6 |
|
Z |
156 |
37 |
11983 |
◊ |
H |
x,y,z |
1_555 |
140 |
35 |
13658 |
1432.0 |
-7.3 |
0.443 |
19 |
4 |
0 |
0.638 |
Average: |
1433.5 |
-7.3 |
0.442 |
19 |
4 |
0 |
0.638 |
4 |
7 |
|
U |
155 |
41 |
12728 |
◊ |
O |
x,y,z |
1_555 |
139 |
38 |
13254 |
1396.6 |
-17.4 |
0.079 |
13 |
1 |
0 |
0.282 |
8 |
|
G |
157 |
42 |
12712 |
◊ |
A |
x,y,z |
1_555 |
140 |
38 |
13265 |
1385.9 |
-17.2 |
0.084 |
12 |
2 |
0 |
0.282 |
Average: |
1391.3 |
-17.3 |
0.082 |
13 |
2 |
0 |
0.282 |
5 |
9 |
|
G |
138 |
32 |
12712 |
◊ |
F |
x,y,z |
1_555 |
157 |
40 |
12334 |
1354.5 |
-13.0 |
0.157 |
20 |
3 |
0 |
0.454 |
10 |
|
U |
140 |
32 |
12728 |
◊ |
T |
x,y,z |
1_555 |
157 |
39 |
12340 |
1352.0 |
-13.1 |
0.154 |
19 |
4 |
0 |
0.454 |
Average: |
1353.3 |
-13.1 |
0.155 |
20 |
4 |
0 |
0.454 |
6 |
11 |
|
P |
146 |
38 |
12633 |
◊ |
O |
x,y,z |
1_555 |
158 |
42 |
13254 |
1341.4 |
-16.2 |
0.112 |
15 |
1 |
0 |
0.367 |
12 |
|
B |
146 |
38 |
12662 |
◊ |
A |
x,y,z |
1_555 |
152 |
40 |
13265 |
1338.0 |
-16.1 |
0.111 |
13 |
1 |
0 |
0.367 |
Average: |
1339.7 |
-16.1 |
0.111 |
14 |
1 |
0 |
0.367 |
7 |
13 |
|
b |
144 |
41 |
9508 |
◊ |
M |
x,y,z |
1_555 |
134 |
29 |
12540 |
1336.5 |
-8.8 |
0.308 |
26 |
3 |
0 |
1.000 |
14 |
|
N |
146 |
41 |
9513 |
◊ |
a |
x,y,z |
1_555 |
136 |
29 |
12543 |
1334.4 |
-8.7 |
0.320 |
24 |
3 |
0 |
1.000 |
Average: |
1335.4 |
-8.8 |
0.314 |
25 |
3 |
0 |
1.000 |
8 |
15 |
|
T |
145 |
34 |
12340 |
◊ |
S |
x,y,z |
1_555 |
144 |
39 |
11726 |
1323.9 |
-12.8 |
0.138 |
14 |
4 |
0 |
0.400 |
16 |
|
F |
146 |
33 |
12334 |
◊ |
E |
x,y,z |
1_555 |
140 |
39 |
11738 |
1312.5 |
-12.7 |
0.138 |
14 |
4 |
0 |
0.400 |
Average: |
1318.2 |
-12.8 |
0.138 |
14 |
4 |
0 |
0.400 |
9 |
17 |
|
D |
127 |
34 |
12133 |
◊ |
C |
x,y,z |
1_555 |
136 |
37 |
12782 |
1274.8 |
-11.5 |
0.138 |
16 |
2 |
0 |
0.546 |
18 |
|
R |
125 |
34 |
12124 |
◊ |
Q |
x,y,z |
1_555 |
141 |
38 |
12784 |
1259.9 |
-11.3 |
0.141 |
16 |
2 |
0 |
0.546 |
Average: |
1267.3 |
-11.4 |
0.139 |
16 |
2 |
0 |
0.546 |
10 |
19 |
|
S |
103 |
30 |
11726 |
◊ |
R |
x,y,z |
1_555 |
114 |
34 |
12124 |
1017.1 |
-9.6 |
0.156 |
12 |
4 |
0 |
1.000 |
20 |
|
E |
101 |
30 |
11738 |
◊ |
D |
x,y,z |
1_555 |
113 |
34 |
12133 |
998.0 |
-9.7 |
0.152 |
13 |
4 |
0 |
1.000 |
Average: |
1007.6 |
-9.7 |
0.154 |
13 |
4 |
0 |
1.000 |
11 |
21 |
|
Y |
103 |
28 |
10226 |
◊ |
I |
x,y,z |
1_555 |
102 |
24 |
9866 |
943.0 |
-3.1 |
0.582 |
20 |
5 |
0 |
0.436 |
22 |
|
K |
104 |
28 |
10227 |
◊ |
W |
x,y,z |
1_555 |
102 |
24 |
9861 |
942.5 |
-2.3 |
0.627 |
20 |
5 |
0 |
0.436 |
Average: |
942.8 |
-2.7 |
0.605 |
20 |
5 |
0 |
0.436 |
12 |
23 |
|
a |
94 |
28 |
12543 |
◊ |
Z |
x,y,z |
1_555 |
98 |
29 |
11983 |
940.8 |
1.1 |
0.706 |
15 |
8 |
0 |
0.146 |
24 |
|
M |
96 |
29 |
12540 |
◊ |
L |
x,y,z |
1_555 |
98 |
29 |
11982 |
934.0 |
1.1 |
0.699 |
15 |
8 |
0 |
0.146 |
Average: |
937.4 |
1.1 |
0.702 |
15 |
8 |
0 |
0.146 |
13 |
25 |
|
M |
85 |
24 |
12540 |
◊ |
V |
x,y,z |
1_555 |
101 |
26 |
13638 |
901.2 |
-10.9 |
0.167 |
6 |
1 |
0 |
0.298 |
26 |
|
a |
88 |
24 |
12543 |
◊ |
H |
x,y,z |
1_555 |
100 |
26 |
13658 |
899.3 |
-11.0 |
0.172 |
6 |
1 |
0 |
0.298 |
Average: |
900.2 |
-10.9 |
0.169 |
6 |
1 |
0 |
0.298 |
14 |
27 |
|
K |
83 |
20 |
10227 |
◊ |
X |
x,y,z |
1_555 |
84 |
19 |
10111 |
730.0 |
-5.4 |
0.313 |
6 |
9 |
0 |
0.119 |
28 |
|
Y |
84 |
20 |
10226 |
◊ |
J |
x,y,z |
1_555 |
82 |
19 |
10083 |
718.3 |
-4.3 |
0.368 |
7 |
9 |
0 |
0.119 |
Average: |
724.1 |
-4.8 |
0.341 |
7 |
9 |
0 |
0.119 |
15 |
29 |
|
L |
74 |
21 |
11982 |
◊ |
K |
x,y,z |
1_555 |
76 |
21 |
10227 |
687.1 |
-3.0 |
0.357 |
10 |
5 |
0 |
0.116 |
30 |
|
Z |
74 |
22 |
11983 |
◊ |
Y |
x,y,z |
1_555 |
74 |
20 |
10226 |
679.7 |
-3.4 |
0.334 |
12 |
5 |
0 |
0.116 |
Average: |
683.4 |
-3.2 |
0.345 |
11 |
5 |
0 |
0.116 |
16 |
31 |
|
X |
70 |
19 |
10111 |
◊ |
J |
x,y,z |
1_555 |
69 |
19 |
10083 |
685.8 |
-2.6 |
0.445 |
14 |
2 |
0 |
0.060 |
17 |
32 |
|
L |
81 |
19 |
11982 |
◊ |
W |
x,y,z |
1_555 |
86 |
21 |
9861 |
667.7 |
-3.6 |
0.402 |
6 |
6 |
0 |
0.105 |
33 |
|
Z |
79 |
19 |
11983 |
◊ |
I |
x,y,z |
1_555 |
88 |
21 |
9866 |
661.5 |
-3.9 |
0.389 |
6 |
6 |
0 |
0.105 |
Average: |
664.6 |
-3.8 |
0.395 |
6 |
6 |
0 |
0.105 |
18 |
34 |
|
V |
58 |
17 |
13638 |
◊ |
O |
x,y,z |
1_555 |
74 |
19 |
13254 |
647.5 |
-4.1 |
0.464 |
10 |
2 |
0 |
0.072 |
35 |
|
H |
61 |
17 |
13658 |
◊ |
A |
x,y,z |
1_555 |
73 |
19 |
13265 |
643.6 |
-4.2 |
0.465 |
9 |
2 |
0 |
0.072 |
Average: |
645.5 |
-4.1 |
0.464 |
10 |
2 |
0 |
0.072 |
19 |
36 |
|
Y |
71 |
23 |
10226 |
◊ |
X |
x,y,z |
1_555 |
62 |
18 |
10111 |
645.8 |
-0.6 |
0.629 |
7 |
5 |
0 |
0.064 |
37 |
|
K |
73 |
23 |
10227 |
◊ |
J |
x,y,z |
1_555 |
61 |
18 |
10083 |
643.5 |
-0.9 |
0.613 |
8 |
5 |
0 |
0.064 |
Average: |
644.6 |
-0.8 |
0.621 |
8 |
5 |
0 |
0.064 |
20 |
38 |
|
H |
61 |
15 |
13658 |
◊ |
G |
x,y,z |
1_555 |
72 |
18 |
12712 |
639.1 |
-0.3 |
0.624 |
10 |
13 |
0 |
0.055 |
39 |
|
V |
61 |
15 |
13638 |
◊ |
U |
x,y,z |
1_555 |
68 |
18 |
12728 |
629.9 |
-0.1 |
0.634 |
11 |
12 |
0 |
0.055 |
Average: |
634.5 |
-0.2 |
0.629 |
11 |
13 |
0 |
0.055 |
21 |
40 |
|
N |
68 |
15 |
9513 |
◊ |
b |
x,y,z |
1_555 |
70 |
16 |
9508 |
629.6 |
-4.0 |
0.357 |
11 |
4 |
0 |
0.052 |
22 |
41 |
|
b |
68 |
20 |
9508 |
◊ |
a |
x,y,z |
1_555 |
67 |
20 |
12543 |
627.6 |
-1.0 |
0.579 |
9 |
4 |
0 |
0.061 |
42 |
|
N |
67 |
20 |
9513 |
◊ |
M |
x,y,z |
1_555 |
65 |
20 |
12540 |
625.2 |
-1.1 |
0.572 |
9 |
4 |
0 |
0.061 |
Average: |
626.4 |
-1.0 |
0.575 |
9 |
4 |
0 |
0.061 |
23 |
43 |
|
a |
65 |
18 |
12543 |
◊ |
S |
x,y,z |
1_555 |
58 |
14 |
11726 |
594.5 |
-2.7 |
0.433 |
6 |
3 |
0 |
0.022 |
44 |
|
M |
64 |
17 |
12540 |
◊ |
E |
x,y,z |
1_555 |
55 |
14 |
11738 |
581.4 |
-2.6 |
0.432 |
7 |
3 |
0 |
0.022 |
Average: |
588.0 |
-2.7 |
0.432 |
7 |
3 |
0 |
0.022 |
24 |
45 |
|
X |
53 |
19 |
10111 |
◊ |
W |
x,y,z |
1_555 |
59 |
23 |
9861 |
553.3 |
-3.6 |
0.334 |
8 |
5 |
0 |
0.102 |
46 |
|
J |
52 |
19 |
10083 |
◊ |
I |
x,y,z |
1_555 |
59 |
23 |
9866 |
551.6 |
-3.6 |
0.339 |
8 |
3 |
0 |
0.102 |
Average: |
552.4 |
-3.6 |
0.337 |
8 |
4 |
0 |
0.102 |
25 |
47 |
|
X |
58 |
15 |
10111 |
◊ |
P |
x,y,z |
1_555 |
54 |
13 |
12633 |
550.2 |
0.3 |
0.633 |
10 |
4 |
0 |
0.014 |
48 |
|
J |
58 |
15 |
10083 |
◊ |
B |
x,y,z |
1_555 |
53 |
13 |
12662 |
542.5 |
0.2 |
0.626 |
11 |
4 |
0 |
0.014 |
Average: |
546.3 |
0.3 |
0.630 |
11 |
4 |
0 |
0.014 |
26 |
49 |
|
I |
60 |
16 |
9866 |
◊ |
A |
x,y,z |
1_555 |
48 |
13 |
13265 |
535.6 |
-2.7 |
0.509 |
7 |
2 |
0 |
0.030 |
50 |
|
W |
60 |
16 |
9861 |
◊ |
O |
x,y,z |
1_555 |
47 |
13 |
13254 |
530.7 |
-2.7 |
0.494 |
8 |
2 |
0 |
0.030 |
Average: |
533.1 |
-2.7 |
0.501 |
8 |
2 |
0 |
0.030 |
27 |
51 |
|
Z |
59 |
14 |
11983 |
◊ |
R |
x,y,z |
1_555 |
57 |
14 |
12124 |
528.5 |
2.0 |
0.770 |
10 |
3 |
0 |
0.008 |
52 |
|
L |
58 |
15 |
11982 |
◊ |
D |
x,y,z |
1_555 |
54 |
13 |
12133 |
520.8 |
1.9 |
0.760 |
10 |
3 |
0 |
0.008 |
Average: |
524.7 |
1.9 |
0.765 |
10 |
3 |
0 |
0.008 |
28 |
53 |
|
W |
49 |
11 |
9861 |
◊ |
P |
x,y,z |
1_555 |
56 |
13 |
12633 |
481.3 |
-1.9 |
0.452 |
4 |
1 |
0 |
0.011 |
54 |
|
I |
48 |
11 |
9866 |
◊ |
B |
x,y,z |
1_555 |
53 |
13 |
12662 |
475.4 |
-1.9 |
0.452 |
5 |
1 |
0 |
0.011 |
Average: |
478.4 |
-1.9 |
0.452 |
5 |
1 |
0 |
0.011 |
29 |
55 |
|
b |
53 |
15 |
9508 |
◊ |
T |
x,y,z |
1_555 |
47 |
12 |
12340 |
478.8 |
-1.7 |
0.507 |
7 |
1 |
0 |
0.013 |
56 |
|
N |
55 |
15 |
9513 |
◊ |
F |
x,y,z |
1_555 |
47 |
12 |
12334 |
474.5 |
-1.7 |
0.503 |
6 |
1 |
0 |
0.013 |
Average: |
476.6 |
-1.7 |
0.505 |
7 |
1 |
0 |
0.013 |
30 |
57 |
|
N |
50 |
18 |
9513 |
◊ |
H |
x,y,z |
1_555 |
54 |
20 |
13658 |
475.7 |
-2.1 |
0.577 |
9 |
5 |
0 |
0.092 |
58 |
|
b |
51 |
18 |
9508 |
◊ |
V |
x,y,z |
1_555 |
53 |
20 |
13638 |
461.6 |
-2.1 |
0.586 |
9 |
5 |
0 |
0.092 |
Average: |
468.6 |
-2.1 |
0.581 |
9 |
5 |
0 |
0.092 |
31 |
59 |
|
N |
52 |
13 |
9513 |
◊ |
G |
x,y,z |
1_555 |
51 |
13 |
12712 |
453.6 |
-1.7 |
0.485 |
4 |
2 |
0 |
0.031 |
60 |
|
b |
51 |
13 |
9508 |
◊ |
U |
x,y,z |
1_555 |
50 |
13 |
12728 |
447.3 |
-1.6 |
0.492 |
4 |
2 |
0 |
0.031 |
Average: |
450.5 |
-1.6 |
0.488 |
4 |
2 |
0 |
0.031 |
32 |
61 |
|
M |
49 |
12 |
12540 |
◊ |
F |
x,y,z |
1_555 |
58 |
16 |
12334 |
446.7 |
0.1 |
0.694 |
7 |
6 |
0 |
0.012 |
62 |
|
a |
48 |
12 |
12543 |
◊ |
T |
x,y,z |
1_555 |
55 |
16 |
12340 |
442.5 |
0.0 |
0.689 |
8 |
7 |
0 |
0.012 |
Average: |
444.6 |
0.1 |
0.691 |
8 |
7 |
0 |
0.012 |
33 |
63 |
|
K |
39 |
10 |
10227 |
◊ |
D |
x,y,z |
1_555 |
43 |
12 |
12133 |
419.6 |
-2.4 |
0.432 |
4 |
7 |
0 |
0.015 |
64 |
|
Y |
39 |
10 |
10226 |
◊ |
R |
x,y,z |
1_555 |
44 |
12 |
12124 |
415.9 |
-2.6 |
0.420 |
4 |
7 |
0 |
0.015 |
Average: |
417.7 |
-2.5 |
0.426 |
4 |
7 |
0 |
0.015 |
34 |
65 |
|
P |
44 |
14 |
12633 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
54 |
14 |
12133 |
412.5 |
-2.3 |
0.433 |
3 |
0 |
0 |
0.000 |
35 |
66 |
|
X |
40 |
9 |
10111 |
◊ |
Q |
x,y,z |
1_555 |
45 |
11 |
12784 |
400.0 |
-2.7 |
0.280 |
6 |
4 |
0 |
0.017 |
67 |
|
J |
40 |
9 |
10083 |
◊ |
C |
x,y,z |
1_555 |
45 |
11 |
12782 |
399.7 |
-2.6 |
0.283 |
6 |
4 |
0 |
0.017 |
Average: |
399.8 |
-2.6 |
0.282 |
6 |
4 |
0 |
0.017 |
36 |
68 |
|
L |
32 |
7 |
11982 |
◊ |
E |
x,y,z |
1_555 |
46 |
12 |
11738 |
352.5 |
0.0 |
0.543 |
5 |
2 |
0 |
0.008 |
69 |
|
Z |
32 |
7 |
11983 |
◊ |
S |
x,y,z |
1_555 |
46 |
12 |
11726 |
347.7 |
0.0 |
0.550 |
4 |
2 |
0 |
0.008 |
Average: |
350.1 |
0.0 |
0.547 |
5 |
2 |
0 |
0.008 |
37 |
70 |
|
K |
32 |
12 |
10227 |
◊ |
C |
x,y,z |
1_555 |
38 |
10 |
12782 |
330.0 |
1.8 |
0.785 |
6 |
9 |
0 |
0.006 |
71 |
|
Y |
34 |
13 |
10226 |
◊ |
Q |
x,y,z |
1_555 |
39 |
11 |
12784 |
325.2 |
1.9 |
0.785 |
6 |
8 |
0 |
0.006 |
Average: |
327.6 |
1.9 |
0.785 |
6 |
9 |
0 |
0.006 |
38 |
72 |
|
V |
24 |
4 |
13638 |
◊ |
P |
x,y,z |
1_555 |
38 |
11 |
12633 |
280.4 |
-3.2 |
0.322 |
1 |
0 |
0 |
0.009 |
73 |
|
H |
23 |
4 |
13658 |
◊ |
B |
x,y,z |
1_555 |
38 |
11 |
12662 |
278.6 |
-3.0 |
0.330 |
0 |
0 |
0 |
0.009 |
Average: |
279.5 |
-3.1 |
0.326 |
1 |
0 |
0 |
0.009 |
39 |
74 |
|
U |
36 |
12 |
12728 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
14 |
13265 |
273.1 |
1.8 |
0.782 |
2 |
1 |
0 |
0.000 |
40 |
75 |
|
U |
36 |
12 |
12728 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
14 |
12712 |
264.0 |
1.7 |
0.750 |
2 |
0 |
0 |
0.000 |
41 |
76 |
|
R |
35 |
10 |
12124 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
20 |
7 |
12662 |
231.9 |
-2.6 |
0.155 |
1 |
0 |
0 |
0.000 |
42 |
77 |
|
T |
26 |
9 |
12340 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
12 |
12334 |
179.9 |
0.7 |
0.719 |
1 |
1 |
0 |
0.000 |
43 |
78 |
|
[MES]K:302 |
12 |
1 |
337 |
◊ |
K |
x,y,z |
1_555 |
26 |
8 |
10227 |
168.3 |
3.7 |
0.121 |
0 |
0 |
0 |
0.000 |
44 |
79 |
|
F |
15 |
4 |
12334 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
13265 |
147.6 |
-1.6 |
0.405 |
2 |
0 |
0 |
0.030 |
80 |
|
T |
14 |
4 |
12340 |
◊ |
O |
x,y,z |
1_555 |
16 |
4 |
13254 |
142.9 |
-1.6 |
0.406 |
2 |
0 |
0 |
0.030 |
Average: |
145.3 |
-1.6 |
0.405 |
2 |
0 |
0 |
0.030 |
45 |
81 |
|
F |
15 |
5 |
12334 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
12662 |
132.5 |
0.1 |
0.645 |
1 |
0 |
0 |
0.005 |
82 |
|
T |
16 |
5 |
12340 |
◊ |
P |
x,y,z |
1_555 |
14 |
4 |
12633 |
130.6 |
0.2 |
0.655 |
1 |
0 |
0 |
0.005 |
Average: |
131.6 |
0.1 |
0.650 |
1 |
0 |
0 |
0.005 |
46 |
83 |
|
U |
15 |
3 |
12728 |
◊ |
P |
x,y,z |
1_555 |
14 |
2 |
12633 |
131.9 |
-2.7 |
0.147 |
1 |
0 |
0 |
0.038 |
84 |
|
G |
15 |
3 |
12712 |
◊ |
B |
x,y,z |
1_555 |
13 |
2 |
12662 |
124.4 |
-2.6 |
0.149 |
0 |
0 |
0 |
0.038 |
Average: |
128.2 |
-2.7 |
0.148 |
1 |
0 |
0 |
0.038 |
47 |
85 |
|
E |
16 |
6 |
11738 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
12662 |
130.7 |
0.6 |
0.625 |
1 |
1 |
0 |
0.000 |
86 |
|
S |
14 |
6 |
11726 |
◊ |
P |
x,y,z |
1_555 |
12 |
4 |
12633 |
122.4 |
0.5 |
0.625 |
1 |
0 |
0 |
0.000 |
Average: |
126.6 |
0.5 |
0.625 |
1 |
1 |
0 |
0.001 |
48 |
87 |
|
R |
13 |
4 |
12124 |
◊ |
P |
x,y,z |
1_555 |
14 |
3 |
12633 |
110.8 |
0.7 |
0.713 |
1 |
2 |
0 |
0.004 |
88 |
|
D |
14 |
4 |
12133 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
12662 |
109.2 |
0.5 |
0.686 |
1 |
2 |
0 |
0.004 |
Average: |
110.0 |
0.6 |
0.699 |
1 |
2 |
0 |
0.004 |
49 |
89 |
|
T |
14 |
5 |
12340 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
12712 |
106.0 |
0.1 |
0.562 |
2 |
0 |
0 |
0.000 |
50 |
90 |
|
K |
11 |
3 |
10227 |
◊ |
V |
x,y,z |
1_555 |
5 |
2 |
13638 |
96.9 |
-1.6 |
0.253 |
0 |
0 |
0 |
0.011 |
91 |
|
Y |
11 |
3 |
10226 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
13658 |
94.8 |
-1.5 |
0.253 |
0 |
0 |
0 |
0.011 |
Average: |
95.8 |
-1.6 |
0.253 |
0 |
0 |
0 |
0.011 |
51 |
92 |
|
Q |
15 |
4 |
12784 |
◊ |
O |
x,y,z |
1_555 |
9 |
3 |
13254 |
87.4 |
-1.1 |
0.403 |
0 |
0 |
0 |
0.018 |
93 |
|
C |
14 |
4 |
12782 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
13265 |
80.2 |
-1.1 |
0.391 |
0 |
0 |
0 |
0.018 |
Average: |
83.8 |
-1.1 |
0.397 |
0 |
0 |
0 |
0.018 |
52 |
94 |
|
a |
7 |
3 |
12543 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
12712 |
71.9 |
1.2 |
0.727 |
1 |
0 |
0 |
0.000 |
95 |
|
M |
7 |
3 |
12540 |
◊ |
U |
x,y,z |
1_555 |
8 |
4 |
12728 |
71.6 |
1.0 |
0.716 |
1 |
0 |
0 |
0.000 |
Average: |
71.7 |
1.1 |
0.721 |
1 |
0 |
0 |
0.000 |
53 |
96 |
|
T |
6 |
2 |
12340 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
11738 |
68.3 |
-0.3 |
0.480 |
0 |
0 |
0 |
0.000 |
54 |
97 |
|
E |
6 |
2 |
11738 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
13265 |
60.4 |
-0.1 |
0.454 |
1 |
0 |
0 |
0.005 |
98 |
|
S |
5 |
2 |
11726 |
◊ |
O |
x,y,z |
1_555 |
6 |
1 |
13254 |
58.0 |
-0.2 |
0.431 |
1 |
0 |
0 |
0.005 |
Average: |
59.2 |
-0.1 |
0.443 |
1 |
0 |
0 |
0.005 |
55 |
99 |
|
[CL]G:302 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
6 |
2 |
12712 |
57.9 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.146 |
100 |
|
[CL]U:301 |
1 |
1 |
125 |
f |
U |
x,y,z |
1_555 |
7 |
2 |
12728 |
55.1 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.146 |
Average: |
56.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.146 |
56 |
101 |
|
U |
5 |
2 |
12728 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
4 |
12334 |
55.8 |
0.5 |
0.719 |
0 |
0 |
0 |
0.000 |
57 |
102 |
|
[MG]I:301 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
15 |
8 |
9866 |
53.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.289 |
103 |
|
[MG]W:301 |
1 |
1 |
98 |
f |
W |
x,y,z |
1_555 |
14 |
7 |
9861 |
52.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.289 |
Average: |
53.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.289 |
58 |
104 |
|
[MG]Z:301 |
1 |
1 |
98 |
f |
Z |
x,y,z |
1_555 |
10 |
6 |
11983 |
51.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.310 |
59 |
105 |
|
[MG]G:301 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
5 |
4 |
12712 |
50.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.163 |
60 |
106 |
|
[MG]N:201 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
10 |
7 |
9513 |
48.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.220 |
61 |
107 |
|
[MG]Y:301 |
1 |
1 |
98 |
f |
Y |
x,y,z |
1_555 |
8 |
6 |
10226 |
42.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.243 |
108 |
|
[MG]K:301 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
8 |
6 |
10227 |
40.6 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.243 |
Average: |
41.3 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.243 |
62 |
109 |
|
[MG]V:301 |
1 |
1 |
98 |
f |
V |
x,y,z |
1_555 |
11 |
7 |
13638 |
40.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.256 |
63 |
110 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
V |
x,y,z |
1_555 |
3 |
1 |
13638 |
36.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.031 |
111 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
13658 |
33.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
34.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.031 |
64 |
112 |
|
[MG]N:202 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
6 |
3 |
9513 |
34.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.112 |
65 |
113 |
|
[MG]V:301 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
11982 |
28.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.116 |
66 |
114 |
|
[MG]N:202 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
13658 |
27.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.027 |
67 |
115 |
|
[MG]Y:301 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
9866 |
27.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.111 |
116 |
|
[MG]K:301 |
1 |
1 |
98 |
◊ |
W |
x,y,z |
1_555 |
4 |
1 |
9861 |
26.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.111 |
Average: |
27.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.111 |
68 |
117 |
|
R |
3 |
1 |
12124 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
13254 |
25.7 |
0.3 |
0.698 |
1 |
0 |
0 |
0.002 |
118 |
|
D |
3 |
1 |
12133 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13265 |
21.8 |
0.3 |
0.729 |
1 |
0 |
0 |
0.002 |
Average: |
23.7 |
0.3 |
0.714 |
1 |
0 |
0 |
0.002 |
69 |
119 |
|
[MG]N:201 |
1 |
1 |
98 |
◊ |
a |
x,y,z |
1_555 |
2 |
2 |
12543 |
22.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.077 |
70 |
120 |
|
[MG]Z:301 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
13658 |
17.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.052 |
71 |
121 |
|
[MG]W:301 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
10227 |
16.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.058 |
122 |
|
[MG]I:301 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
4 |
2 |
10226 |
16.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.058 |
Average: |
16.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.058 |
72 |
123 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
13254 |
10.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.012 |
124 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13265 |
7.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
8.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.012 |
73 |
125 |
|
S |
2 |
1 |
11726 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12782 |
6.6 |
0.1 |
0.713 |
0 |
0 |
0 |
0.000 |
74 |
126 |
|
[MES]K:302 |
1 |
1 |
337 |
f |
W |
x,y,z |
1_555 |
1 |
1 |
9861 |
1.2 |
0.0 |
0.295 |
0 |
0 |
0 |
0.000 |
|