## |
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 |
176 |
53 |
9877 |
◊ |
H |
x,y,z |
1_555 |
157 |
41 |
13676 |
1603.7 |
-14.6 |
0.242 |
28 |
18 |
0 |
0.794 |
2 |
|
W |
173 |
51 |
9866 |
◊ |
V |
x,y,z |
1_555 |
158 |
41 |
13653 |
1603.5 |
-14.9 |
0.231 |
28 |
18 |
0 |
0.794 |
Average: |
1603.6 |
-14.8 |
0.237 |
28 |
18 |
0 |
0.794 |
2 |
3 |
|
C |
144 |
34 |
12792 |
◊ |
B |
x,y,z |
1_555 |
174 |
42 |
12669 |
1533.3 |
-10.6 |
0.230 |
20 |
3 |
0 |
0.319 |
4 |
|
Q |
146 |
33 |
12788 |
◊ |
P |
x,y,z |
1_555 |
177 |
42 |
12644 |
1507.3 |
-10.3 |
0.245 |
21 |
3 |
0 |
0.319 |
Average: |
1520.3 |
-10.5 |
0.237 |
21 |
3 |
0 |
0.319 |
3 |
5 |
|
Z |
158 |
38 |
11990 |
◊ |
H |
x,y,z |
1_555 |
136 |
35 |
13676 |
1432.0 |
-7.3 |
0.442 |
18 |
4 |
0 |
0.631 |
6 |
|
L |
155 |
38 |
11975 |
◊ |
V |
x,y,z |
1_555 |
141 |
35 |
13653 |
1422.5 |
-7.1 |
0.449 |
18 |
4 |
0 |
0.631 |
Average: |
1427.2 |
-7.2 |
0.445 |
18 |
4 |
0 |
0.631 |
4 |
7 |
|
U |
155 |
41 |
12740 |
◊ |
O |
x,y,z |
1_555 |
141 |
38 |
13250 |
1391.2 |
-17.3 |
0.084 |
14 |
2 |
0 |
0.228 |
8 |
|
G |
157 |
42 |
12723 |
◊ |
A |
x,y,z |
1_555 |
137 |
37 |
13246 |
1374.1 |
-17.0 |
0.087 |
12 |
2 |
0 |
0.228 |
Average: |
1382.6 |
-17.1 |
0.086 |
13 |
2 |
0 |
0.228 |
5 |
9 |
|
P |
145 |
38 |
12644 |
◊ |
O |
x,y,z |
1_555 |
154 |
42 |
13250 |
1343.5 |
-16.5 |
0.101 |
15 |
1 |
0 |
0.370 |
10 |
|
B |
145 |
38 |
12669 |
◊ |
A |
x,y,z |
1_555 |
150 |
40 |
13246 |
1324.5 |
-16.2 |
0.108 |
13 |
1 |
0 |
0.370 |
Average: |
1334.0 |
-16.4 |
0.105 |
14 |
1 |
0 |
0.370 |
6 |
11 |
|
U |
139 |
32 |
12740 |
◊ |
T |
x,y,z |
1_555 |
153 |
38 |
12366 |
1331.9 |
-13.0 |
0.156 |
20 |
4 |
0 |
0.453 |
12 |
|
G |
137 |
32 |
12723 |
◊ |
F |
x,y,z |
1_555 |
157 |
39 |
12349 |
1330.5 |
-12.8 |
0.163 |
20 |
3 |
0 |
0.453 |
Average: |
1331.2 |
-12.9 |
0.159 |
20 |
4 |
0 |
0.453 |
7 |
13 |
|
T |
145 |
33 |
12366 |
◊ |
S |
x,y,z |
1_555 |
144 |
39 |
11719 |
1319.6 |
-13.0 |
0.131 |
14 |
4 |
0 |
0.399 |
14 |
|
F |
142 |
33 |
12349 |
◊ |
E |
x,y,z |
1_555 |
139 |
39 |
11733 |
1308.7 |
-13.1 |
0.122 |
13 |
4 |
0 |
0.399 |
Average: |
1314.1 |
-13.1 |
0.127 |
14 |
4 |
0 |
0.399 |
8 |
15 |
|
D |
127 |
34 |
12131 |
◊ |
C |
x,y,z |
1_555 |
138 |
35 |
12792 |
1257.4 |
-11.6 |
0.138 |
17 |
2 |
0 |
0.561 |
16 |
|
R |
123 |
34 |
12132 |
◊ |
Q |
x,y,z |
1_555 |
137 |
36 |
12788 |
1238.8 |
-11.4 |
0.135 |
15 |
2 |
0 |
0.561 |
Average: |
1248.1 |
-11.5 |
0.137 |
16 |
2 |
0 |
0.561 |
9 |
17 |
|
N |
133 |
39 |
9501 |
◊ |
a |
x,y,z |
1_555 |
130 |
28 |
12445 |
1253.2 |
-8.2 |
0.330 |
22 |
3 |
0 |
1.000 |
18 |
|
b |
125 |
35 |
9515 |
◊ |
M |
x,y,z |
1_555 |
120 |
26 |
12104 |
1194.0 |
-8.4 |
0.273 |
20 |
3 |
0 |
1.000 |
Average: |
1223.6 |
-8.3 |
0.302 |
21 |
3 |
0 |
1.000 |
10 |
19 |
|
S |
104 |
30 |
11719 |
◊ |
R |
x,y,z |
1_555 |
115 |
32 |
12132 |
1010.7 |
-9.6 |
0.161 |
11 |
4 |
0 |
1.000 |
20 |
|
E |
103 |
30 |
11733 |
◊ |
D |
x,y,z |
1_555 |
111 |
32 |
12131 |
992.0 |
-9.7 |
0.151 |
11 |
4 |
0 |
1.000 |
Average: |
1001.4 |
-9.6 |
0.156 |
11 |
4 |
0 |
1.000 |
11 |
21 |
|
K |
104 |
28 |
10199 |
◊ |
W |
x,y,z |
1_555 |
102 |
24 |
9866 |
947.9 |
-3.0 |
0.591 |
20 |
5 |
0 |
0.396 |
22 |
|
Y |
104 |
28 |
10194 |
◊ |
I |
x,y,z |
1_555 |
101 |
24 |
9877 |
936.4 |
-3.2 |
0.579 |
18 |
5 |
0 |
0.396 |
Average: |
942.1 |
-3.1 |
0.585 |
19 |
5 |
0 |
0.396 |
12 |
23 |
|
M |
95 |
28 |
12104 |
◊ |
L |
x,y,z |
1_555 |
96 |
29 |
11975 |
927.4 |
0.9 |
0.694 |
15 |
8 |
0 |
0.104 |
24 |
|
a |
94 |
28 |
12445 |
◊ |
Z |
x,y,z |
1_555 |
98 |
29 |
11990 |
926.9 |
-0.5 |
0.646 |
15 |
9 |
0 |
0.104 |
Average: |
927.1 |
0.2 |
0.670 |
15 |
9 |
0 |
0.104 |
13 |
25 |
|
a |
87 |
24 |
12445 |
◊ |
H |
x,y,z |
1_555 |
102 |
26 |
13676 |
903.2 |
-10.9 |
0.168 |
6 |
1 |
0 |
0.184 |
26 |
|
M |
82 |
23 |
12104 |
◊ |
V |
x,y,z |
1_555 |
94 |
26 |
13653 |
844.7 |
-9.7 |
0.218 |
6 |
1 |
0 |
0.184 |
Average: |
873.9 |
-10.3 |
0.193 |
6 |
1 |
0 |
0.184 |
14 |
27 |
|
K |
80 |
20 |
10199 |
◊ |
X |
x,y,z |
1_555 |
83 |
19 |
10112 |
720.7 |
-4.3 |
0.372 |
6 |
9 |
0 |
0.141 |
28 |
|
Y |
82 |
20 |
10194 |
◊ |
J |
x,y,z |
1_555 |
81 |
19 |
10091 |
715.1 |
-4.1 |
0.377 |
6 |
9 |
0 |
0.141 |
Average: |
717.9 |
-4.2 |
0.375 |
6 |
9 |
0 |
0.141 |
15 |
29 |
|
X |
70 |
19 |
10112 |
◊ |
J |
x,y,z |
1_555 |
68 |
19 |
10091 |
680.0 |
-2.7 |
0.436 |
14 |
2 |
0 |
0.079 |
16 |
30 |
|
L |
69 |
21 |
11975 |
◊ |
K |
x,y,z |
1_555 |
72 |
21 |
10199 |
673.7 |
-3.1 |
0.340 |
12 |
5 |
0 |
0.117 |
31 |
|
Z |
73 |
21 |
11990 |
◊ |
Y |
x,y,z |
1_555 |
74 |
21 |
10194 |
665.5 |
-3.2 |
0.342 |
12 |
5 |
0 |
0.117 |
Average: |
669.6 |
-3.2 |
0.341 |
12 |
5 |
0 |
0.117 |
17 |
32 |
|
L |
81 |
19 |
11975 |
◊ |
W |
x,y,z |
1_555 |
85 |
20 |
9866 |
659.6 |
-3.9 |
0.382 |
6 |
7 |
0 |
0.110 |
33 |
|
Z |
80 |
19 |
11990 |
◊ |
I |
x,y,z |
1_555 |
86 |
20 |
9877 |
658.2 |
-4.0 |
0.377 |
6 |
7 |
0 |
0.110 |
Average: |
658.9 |
-4.0 |
0.379 |
6 |
7 |
0 |
0.110 |
18 |
34 |
|
H |
61 |
17 |
13676 |
◊ |
A |
x,y,z |
1_555 |
72 |
19 |
13246 |
640.7 |
-4.2 |
0.471 |
9 |
2 |
0 |
0.076 |
35 |
|
V |
58 |
16 |
13653 |
◊ |
O |
x,y,z |
1_555 |
71 |
19 |
13250 |
633.6 |
-4.1 |
0.457 |
10 |
2 |
0 |
0.076 |
Average: |
637.1 |
-4.2 |
0.464 |
10 |
2 |
0 |
0.076 |
19 |
36 |
|
H |
61 |
15 |
13676 |
◊ |
G |
x,y,z |
1_555 |
71 |
18 |
12723 |
630.7 |
-0.2 |
0.625 |
10 |
12 |
0 |
0.057 |
37 |
|
V |
62 |
15 |
13653 |
◊ |
U |
x,y,z |
1_555 |
70 |
18 |
12740 |
630.2 |
-0.3 |
0.627 |
10 |
12 |
0 |
0.057 |
Average: |
630.4 |
-0.3 |
0.626 |
10 |
12 |
0 |
0.057 |
20 |
38 |
|
N |
69 |
15 |
9501 |
◊ |
b |
x,y,z |
1_555 |
71 |
16 |
9515 |
624.4 |
-4.1 |
0.357 |
10 |
4 |
0 |
0.054 |
21 |
39 |
|
Y |
69 |
23 |
10194 |
◊ |
X |
x,y,z |
1_555 |
61 |
18 |
10112 |
623.1 |
-0.8 |
0.616 |
9 |
4 |
0 |
0.093 |
40 |
|
K |
69 |
23 |
10199 |
◊ |
J |
x,y,z |
1_555 |
60 |
18 |
10091 |
619.2 |
-0.8 |
0.620 |
9 |
4 |
0 |
0.093 |
Average: |
621.1 |
-0.8 |
0.618 |
9 |
4 |
0 |
0.093 |
22 |
41 |
|
b |
65 |
19 |
9515 |
◊ |
a |
x,y,z |
1_555 |
65 |
20 |
12445 |
611.5 |
-1.0 |
0.572 |
9 |
4 |
0 |
0.066 |
42 |
|
N |
65 |
19 |
9501 |
◊ |
M |
x,y,z |
1_555 |
62 |
20 |
12104 |
610.4 |
-1.1 |
0.570 |
9 |
4 |
0 |
0.066 |
Average: |
610.9 |
-1.0 |
0.571 |
9 |
4 |
0 |
0.066 |
23 |
43 |
|
M |
62 |
17 |
12104 |
◊ |
E |
x,y,z |
1_555 |
56 |
14 |
11733 |
577.1 |
-2.5 |
0.432 |
7 |
2 |
0 |
0.022 |
44 |
|
a |
65 |
18 |
12445 |
◊ |
S |
x,y,z |
1_555 |
55 |
14 |
11719 |
577.1 |
-2.5 |
0.439 |
7 |
2 |
0 |
0.022 |
Average: |
577.1 |
-2.5 |
0.435 |
7 |
2 |
0 |
0.022 |
24 |
45 |
|
X |
59 |
15 |
10112 |
◊ |
P |
x,y,z |
1_555 |
54 |
13 |
12644 |
547.4 |
0.3 |
0.635 |
11 |
4 |
0 |
0.021 |
46 |
|
J |
58 |
15 |
10091 |
◊ |
B |
x,y,z |
1_555 |
52 |
13 |
12669 |
533.9 |
0.0 |
0.618 |
11 |
4 |
0 |
0.021 |
Average: |
540.6 |
0.2 |
0.627 |
11 |
4 |
0 |
0.021 |
25 |
47 |
|
J |
50 |
18 |
10091 |
◊ |
I |
x,y,z |
1_555 |
58 |
22 |
9877 |
535.4 |
-3.5 |
0.338 |
10 |
4 |
0 |
0.145 |
48 |
|
X |
51 |
18 |
10112 |
◊ |
W |
x,y,z |
1_555 |
57 |
22 |
9866 |
534.3 |
-3.4 |
0.343 |
10 |
3 |
0 |
0.145 |
Average: |
534.9 |
-3.5 |
0.341 |
10 |
4 |
0 |
0.145 |
26 |
49 |
|
W |
60 |
16 |
9866 |
◊ |
O |
x,y,z |
1_555 |
47 |
13 |
13250 |
530.3 |
-2.8 |
0.496 |
6 |
2 |
0 |
0.028 |
50 |
|
I |
59 |
16 |
9877 |
◊ |
A |
x,y,z |
1_555 |
46 |
13 |
13246 |
526.4 |
-2.8 |
0.490 |
6 |
2 |
0 |
0.028 |
Average: |
528.4 |
-2.8 |
0.493 |
6 |
2 |
0 |
0.028 |
27 |
51 |
|
L |
60 |
15 |
11975 |
◊ |
D |
x,y,z |
1_555 |
56 |
14 |
12131 |
524.9 |
1.9 |
0.763 |
10 |
3 |
0 |
0.011 |
52 |
|
Z |
58 |
15 |
11990 |
◊ |
R |
x,y,z |
1_555 |
55 |
13 |
12132 |
523.7 |
2.0 |
0.770 |
9 |
3 |
0 |
0.011 |
Average: |
524.3 |
1.9 |
0.767 |
10 |
3 |
0 |
0.011 |
28 |
53 |
|
W |
51 |
11 |
9866 |
◊ |
P |
x,y,z |
1_555 |
54 |
14 |
12644 |
476.1 |
-2.0 |
0.453 |
5 |
1 |
0 |
0.017 |
54 |
|
I |
48 |
11 |
9877 |
◊ |
B |
x,y,z |
1_555 |
54 |
13 |
12669 |
476.0 |
-1.9 |
0.439 |
5 |
1 |
0 |
0.017 |
Average: |
476.1 |
-1.9 |
0.446 |
5 |
1 |
0 |
0.017 |
29 |
55 |
|
b |
55 |
15 |
9515 |
◊ |
T |
x,y,z |
1_555 |
47 |
12 |
12366 |
475.1 |
-1.7 |
0.510 |
5 |
2 |
0 |
0.015 |
56 |
|
N |
52 |
15 |
9501 |
◊ |
F |
x,y,z |
1_555 |
47 |
12 |
12349 |
471.3 |
-1.8 |
0.495 |
6 |
2 |
0 |
0.015 |
Average: |
473.2 |
-1.7 |
0.502 |
6 |
2 |
0 |
0.015 |
30 |
57 |
|
a |
48 |
12 |
12445 |
◊ |
T |
x,y,z |
1_555 |
59 |
17 |
12366 |
447.7 |
0.1 |
0.686 |
8 |
6 |
0 |
0.015 |
58 |
|
M |
48 |
12 |
12104 |
◊ |
F |
x,y,z |
1_555 |
58 |
17 |
12349 |
441.3 |
0.3 |
0.707 |
8 |
7 |
0 |
0.015 |
Average: |
444.5 |
0.2 |
0.697 |
8 |
7 |
0 |
0.015 |
31 |
59 |
|
N |
52 |
13 |
9501 |
◊ |
G |
x,y,z |
1_555 |
51 |
13 |
12723 |
446.7 |
-1.6 |
0.491 |
4 |
2 |
0 |
0.032 |
60 |
|
b |
51 |
13 |
9515 |
◊ |
U |
x,y,z |
1_555 |
49 |
13 |
12740 |
441.9 |
-1.5 |
0.499 |
4 |
2 |
0 |
0.032 |
Average: |
444.3 |
-1.6 |
0.495 |
4 |
2 |
0 |
0.032 |
32 |
61 |
|
N |
48 |
16 |
9501 |
◊ |
H |
x,y,z |
1_555 |
51 |
19 |
13676 |
442.4 |
-1.3 |
0.631 |
9 |
5 |
0 |
0.081 |
62 |
|
b |
48 |
16 |
9515 |
◊ |
V |
x,y,z |
1_555 |
51 |
19 |
13653 |
434.3 |
-1.2 |
0.638 |
8 |
5 |
0 |
0.081 |
Average: |
438.4 |
-1.3 |
0.635 |
9 |
5 |
0 |
0.081 |
33 |
63 |
|
Y |
35 |
10 |
10194 |
◊ |
R |
x,y,z |
1_555 |
44 |
12 |
12132 |
419.6 |
-2.7 |
0.405 |
4 |
7 |
0 |
0.023 |
64 |
|
K |
36 |
10 |
10199 |
◊ |
D |
x,y,z |
1_555 |
45 |
12 |
12131 |
419.4 |
-2.6 |
0.415 |
4 |
7 |
0 |
0.023 |
Average: |
419.5 |
-2.7 |
0.410 |
4 |
7 |
0 |
0.023 |
34 |
65 |
|
P |
45 |
15 |
12644 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
53 |
14 |
12131 |
410.1 |
-2.4 |
0.433 |
3 |
0 |
0 |
0.000 |
35 |
66 |
|
J |
39 |
9 |
10091 |
◊ |
C |
x,y,z |
1_555 |
45 |
11 |
12792 |
396.6 |
-2.6 |
0.277 |
6 |
4 |
0 |
0.023 |
67 |
|
X |
39 |
9 |
10112 |
◊ |
Q |
x,y,z |
1_555 |
44 |
11 |
12788 |
393.2 |
-2.7 |
0.271 |
5 |
4 |
0 |
0.023 |
Average: |
394.9 |
-2.7 |
0.274 |
6 |
4 |
0 |
0.023 |
36 |
68 |
|
Z |
32 |
7 |
11990 |
◊ |
S |
x,y,z |
1_555 |
47 |
12 |
11719 |
355.8 |
-0.0 |
0.536 |
5 |
2 |
0 |
0.010 |
69 |
|
L |
33 |
7 |
11975 |
◊ |
E |
x,y,z |
1_555 |
45 |
12 |
11733 |
349.6 |
-0.0 |
0.538 |
4 |
2 |
0 |
0.010 |
Average: |
352.7 |
-0.0 |
0.537 |
5 |
2 |
0 |
0.010 |
37 |
70 |
|
K |
34 |
12 |
10199 |
◊ |
C |
x,y,z |
1_555 |
38 |
10 |
12792 |
325.0 |
1.9 |
0.792 |
6 |
8 |
0 |
0.008 |
71 |
|
Y |
34 |
13 |
10194 |
◊ |
Q |
x,y,z |
1_555 |
38 |
11 |
12788 |
319.5 |
1.9 |
0.790 |
6 |
8 |
0 |
0.008 |
Average: |
322.3 |
1.9 |
0.791 |
6 |
8 |
0 |
0.008 |
38 |
72 |
|
V |
24 |
4 |
13653 |
◊ |
P |
x,y,z |
1_555 |
37 |
11 |
12644 |
279.6 |
-3.1 |
0.325 |
0 |
0 |
0 |
0.013 |
73 |
|
H |
23 |
4 |
13676 |
◊ |
B |
x,y,z |
1_555 |
37 |
11 |
12669 |
277.3 |
-2.9 |
0.337 |
0 |
0 |
0 |
0.013 |
Average: |
278.5 |
-3.0 |
0.331 |
0 |
0 |
0 |
0.013 |
39 |
74 |
|
U |
37 |
12 |
12740 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
15 |
12723 |
273.4 |
1.7 |
0.749 |
2 |
0 |
0 |
0.000 |
40 |
75 |
|
U |
36 |
12 |
12740 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
37 |
14 |
13246 |
270.0 |
1.7 |
0.780 |
3 |
1 |
0 |
0.000 |
41 |
76 |
|
R |
35 |
10 |
12132 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
19 |
7 |
12669 |
232.6 |
-2.7 |
0.150 |
2 |
0 |
0 |
0.000 |
42 |
77 |
|
T |
23 |
7 |
12366 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
9 |
12349 |
163.0 |
0.7 |
0.723 |
1 |
1 |
0 |
0.000 |
43 |
78 |
|
F |
14 |
4 |
12349 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
13246 |
146.6 |
-1.6 |
0.401 |
2 |
0 |
0 |
0.023 |
79 |
|
T |
14 |
4 |
12366 |
◊ |
O |
x,y,z |
1_555 |
16 |
4 |
13250 |
142.0 |
-1.6 |
0.412 |
2 |
0 |
0 |
0.023 |
Average: |
144.3 |
-1.6 |
0.406 |
2 |
0 |
0 |
0.023 |
44 |
80 |
|
F |
15 |
5 |
12349 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
12669 |
132.9 |
0.0 |
0.632 |
1 |
0 |
0 |
0.005 |
81 |
|
T |
15 |
5 |
12366 |
◊ |
P |
x,y,z |
1_555 |
14 |
4 |
12644 |
130.9 |
0.1 |
0.641 |
1 |
0 |
0 |
0.005 |
Average: |
131.9 |
0.1 |
0.637 |
1 |
0 |
0 |
0.005 |
45 |
82 |
|
U |
15 |
3 |
12740 |
◊ |
P |
x,y,z |
1_555 |
14 |
2 |
12644 |
129.3 |
-2.7 |
0.154 |
0 |
0 |
0 |
0.026 |
83 |
|
G |
14 |
3 |
12723 |
◊ |
B |
x,y,z |
1_555 |
13 |
2 |
12669 |
126.6 |
-2.7 |
0.143 |
0 |
0 |
0 |
0.026 |
Average: |
128.0 |
-2.7 |
0.149 |
0 |
0 |
0 |
0.026 |
46 |
84 |
|
E |
14 |
6 |
11733 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
12669 |
121.3 |
0.6 |
0.637 |
1 |
0 |
0 |
0.000 |
85 |
|
S |
14 |
6 |
11719 |
◊ |
P |
x,y,z |
1_555 |
11 |
4 |
12644 |
115.9 |
0.5 |
0.637 |
1 |
0 |
0 |
0.000 |
Average: |
118.6 |
0.5 |
0.637 |
1 |
0 |
0 |
0.000 |
47 |
86 |
|
R |
12 |
4 |
12132 |
◊ |
P |
x,y,z |
1_555 |
12 |
3 |
12644 |
108.5 |
0.6 |
0.711 |
1 |
2 |
0 |
0.004 |
87 |
|
D |
14 |
4 |
12131 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
12669 |
107.0 |
0.5 |
0.692 |
1 |
2 |
0 |
0.004 |
Average: |
107.7 |
0.6 |
0.702 |
1 |
2 |
0 |
0.004 |
48 |
88 |
|
T |
13 |
4 |
12366 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
12723 |
97.9 |
0.1 |
0.552 |
2 |
0 |
0 |
0.000 |
49 |
89 |
|
Y |
11 |
3 |
10194 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
13676 |
94.9 |
-1.5 |
0.284 |
0 |
0 |
0 |
0.012 |
90 |
|
K |
11 |
3 |
10199 |
◊ |
V |
x,y,z |
1_555 |
6 |
2 |
13653 |
94.4 |
-1.5 |
0.284 |
0 |
0 |
0 |
0.012 |
Average: |
94.6 |
-1.5 |
0.284 |
0 |
0 |
0 |
0.012 |
50 |
91 |
|
Q |
16 |
4 |
12788 |
◊ |
O |
x,y,z |
1_555 |
9 |
3 |
13250 |
81.7 |
-1.1 |
0.417 |
0 |
0 |
0 |
0.017 |
92 |
|
C |
13 |
4 |
12792 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
13246 |
75.3 |
-1.0 |
0.398 |
0 |
0 |
0 |
0.017 |
Average: |
78.5 |
-1.0 |
0.408 |
0 |
0 |
0 |
0.017 |
51 |
93 |
|
a |
7 |
3 |
12445 |
◊ |
G |
x,y,z |
1_555 |
7 |
4 |
12723 |
69.4 |
1.0 |
0.698 |
1 |
0 |
0 |
0.000 |
52 |
94 |
|
T |
6 |
2 |
12366 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
3 |
11733 |
65.0 |
-0.3 |
0.485 |
0 |
0 |
0 |
0.000 |
53 |
95 |
|
[CL]G:302 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
6 |
2 |
12723 |
57.3 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.148 |
96 |
|
[CL]U:301 |
1 |
1 |
125 |
f |
U |
x,y,z |
1_555 |
7 |
2 |
12740 |
57.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.148 |
Average: |
57.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.148 |
54 |
97 |
|
E |
5 |
2 |
11733 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
13246 |
53.8 |
-0.1 |
0.442 |
1 |
0 |
0 |
0.005 |
98 |
|
S |
6 |
2 |
11719 |
◊ |
O |
x,y,z |
1_555 |
6 |
1 |
13250 |
52.9 |
-0.2 |
0.469 |
1 |
0 |
0 |
0.005 |
Average: |
53.3 |
-0.1 |
0.455 |
1 |
0 |
0 |
0.005 |
55 |
99 |
|
[MG]I:301 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
14 |
8 |
9877 |
53.1 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.248 |
100 |
|
[MG]W:301 |
1 |
1 |
98 |
f |
W |
x,y,z |
1_555 |
14 |
7 |
9866 |
52.5 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.248 |
Average: |
52.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.248 |
56 |
101 |
|
U |
5 |
2 |
12740 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
4 |
12349 |
52.6 |
0.5 |
0.720 |
0 |
0 |
0 |
0.000 |
57 |
102 |
|
[MG]Z:301 |
1 |
1 |
98 |
f |
Z |
x,y,z |
1_555 |
9 |
6 |
11990 |
50.7 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.323 |
58 |
103 |
|
[MG]G:301 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
5 |
4 |
12723 |
50.6 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.164 |
59 |
104 |
|
[MG]N:201 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
10 |
7 |
9501 |
48.1 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.253 |
60 |
105 |
|
[MG]K:301 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
8 |
6 |
10199 |
41.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.217 |
106 |
|
[MG]Y:301 |
1 |
1 |
98 |
f |
Y |
x,y,z |
1_555 |
7 |
6 |
10194 |
41.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.217 |
Average: |
41.7 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.217 |
61 |
107 |
|
[MG]V:301 |
1 |
1 |
98 |
f |
V |
x,y,z |
1_555 |
9 |
6 |
13653 |
41.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.262 |
62 |
108 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
V |
x,y,z |
1_555 |
3 |
1 |
13653 |
34.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.032 |
109 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
13676 |
33.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
34.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.032 |
63 |
110 |
|
[MG]V:301 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
11975 |
28.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.117 |
64 |
111 |
|
[MG]Y:301 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
9877 |
26.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.094 |
112 |
|
[MG]K:301 |
1 |
1 |
98 |
◊ |
W |
x,y,z |
1_555 |
5 |
2 |
9866 |
25.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.094 |
Average: |
26.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.094 |
65 |
113 |
|
[MG]N:201 |
1 |
1 |
98 |
◊ |
a |
x,y,z |
1_555 |
2 |
2 |
12445 |
24.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.098 |
66 |
114 |
|
R |
3 |
1 |
12132 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
13250 |
22.9 |
0.3 |
0.702 |
1 |
0 |
0 |
0.002 |
115 |
|
D |
3 |
1 |
12131 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13246 |
19.4 |
0.3 |
0.721 |
0 |
0 |
0 |
0.002 |
Average: |
21.1 |
0.3 |
0.712 |
1 |
0 |
0 |
0.002 |
67 |
116 |
|
[MG]I:301 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
4 |
2 |
10194 |
17.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.058 |
117 |
|
[MG]W:301 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
10199 |
16.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.058 |
Average: |
17.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.058 |
68 |
118 |
|
[MG]Z:301 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
13676 |
14.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.046 |
69 |
119 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
13250 |
8.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.007 |
120 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13246 |
8.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
8.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.007 |
70 |
121 |
|
S |
2 |
1 |
11719 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12792 |
7.2 |
0.1 |
0.705 |
0 |
0 |
0 |
0.000 |
|