| ## |
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 |
|
W |
178 |
52 |
9840 |
◊ |
V |
x,y,z |
1_555 |
154 |
40 |
13026 |
1585.2 |
-14.2 |
0.245 |
23 |
16 |
0 |
1.000 |
2 |
|
I |
176 |
52 |
9814 |
◊ |
H |
x,y,z |
1_555 |
151 |
41 |
13022 |
1580.3 |
-14.3 |
0.236 |
23 |
16 |
0 |
1.000 |
| Average: |
1582.7 |
-14.3 |
0.240 |
23 |
16 |
0 |
1.000 |
| 2 |
3 |
|
C |
157 |
36 |
12929 |
◊ |
B |
x,y,z |
1_555 |
177 |
42 |
12914 |
1578.6 |
-10.2 |
0.267 |
15 |
3 |
0 |
1.000 |
4 |
|
Q |
156 |
34 |
12950 |
◊ |
P |
x,y,z |
1_555 |
174 |
41 |
12919 |
1517.0 |
-10.1 |
0.263 |
15 |
3 |
0 |
1.000 |
| Average: |
1547.8 |
-10.2 |
0.265 |
15 |
3 |
0 |
1.000 |
| 3 |
5 |
|
U |
156 |
41 |
12716 |
◊ |
O |
x,y,z |
1_555 |
137 |
38 |
13193 |
1395.3 |
-16.4 |
0.130 |
16 |
3 |
0 |
0.321 |
6 |
|
G |
156 |
40 |
12710 |
◊ |
A |
x,y,z |
1_555 |
136 |
38 |
13184 |
1377.8 |
-16.0 |
0.140 |
14 |
3 |
0 |
0.321 |
| Average: |
1386.6 |
-16.2 |
0.135 |
15 |
3 |
0 |
0.321 |
| 4 |
7 |
|
L |
149 |
37 |
11765 |
◊ |
V |
x,y,z |
1_555 |
132 |
34 |
13026 |
1387.0 |
-4.6 |
0.552 |
18 |
4 |
0 |
1.000 |
8 |
|
Z |
150 |
37 |
11767 |
◊ |
H |
x,y,z |
1_555 |
133 |
34 |
13022 |
1386.0 |
-5.0 |
0.545 |
17 |
4 |
0 |
1.000 |
| Average: |
1386.5 |
-4.8 |
0.549 |
18 |
4 |
0 |
1.000 |
| 5 |
9 |
|
G |
138 |
32 |
12710 |
◊ |
F |
x,y,z |
1_555 |
158 |
39 |
12292 |
1369.8 |
-14.3 |
0.145 |
16 |
3 |
0 |
0.549 |
10 |
|
U |
137 |
32 |
12716 |
◊ |
T |
x,y,z |
1_555 |
161 |
40 |
12317 |
1368.3 |
-14.2 |
0.152 |
16 |
3 |
0 |
0.549 |
| Average: |
1369.1 |
-14.2 |
0.149 |
16 |
3 |
0 |
0.549 |
| 6 |
11 |
|
P |
142 |
38 |
12919 |
◊ |
O |
x,y,z |
1_555 |
164 |
43 |
13193 |
1363.3 |
-15.8 |
0.140 |
17 |
1 |
0 |
1.000 |
12 |
|
B |
144 |
37 |
12914 |
◊ |
A |
x,y,z |
1_555 |
159 |
43 |
13184 |
1351.6 |
-14.4 |
0.206 |
12 |
1 |
0 |
1.000 |
| Average: |
1357.4 |
-15.1 |
0.173 |
15 |
1 |
0 |
1.000 |
| 7 |
13 |
|
T |
140 |
34 |
12317 |
◊ |
S |
x,y,z |
1_555 |
139 |
38 |
11797 |
1308.5 |
-11.5 |
0.177 |
13 |
4 |
0 |
0.562 |
14 |
|
F |
142 |
34 |
12292 |
◊ |
E |
x,y,z |
1_555 |
140 |
38 |
11798 |
1293.7 |
-11.5 |
0.182 |
15 |
4 |
0 |
0.562 |
| Average: |
1301.1 |
-11.5 |
0.179 |
14 |
4 |
0 |
0.562 |
| 8 |
15 |
|
D |
131 |
37 |
12655 |
◊ |
C |
x,y,z |
1_555 |
143 |
38 |
12929 |
1290.3 |
-11.4 |
0.136 |
15 |
1 |
0 |
1.000 |
16 |
|
R |
133 |
36 |
12654 |
◊ |
Q |
x,y,z |
1_555 |
141 |
37 |
12950 |
1283.6 |
-11.6 |
0.131 |
16 |
1 |
0 |
1.000 |
| Average: |
1287.0 |
-11.5 |
0.133 |
16 |
1 |
0 |
1.000 |
| 9 |
17 |
|
2 |
139 |
40 |
9526 |
◊ |
M |
x,y,z |
1_555 |
131 |
30 |
12345 |
1279.6 |
-8.2 |
0.354 |
23 |
4 |
0 |
1.000 |
18 |
|
N |
138 |
40 |
9534 |
◊ |
1 |
x,y,z |
1_555 |
131 |
30 |
12353 |
1276.9 |
-8.3 |
0.349 |
23 |
4 |
0 |
1.000 |
| Average: |
1278.3 |
-8.2 |
0.352 |
23 |
4 |
0 |
1.000 |
| 10 |
19 |
|
S |
122 |
36 |
11797 |
◊ |
R |
x,y,z |
1_555 |
129 |
36 |
12654 |
1234.6 |
-9.0 |
0.204 |
14 |
5 |
0 |
1.000 |
20 |
|
E |
122 |
36 |
11798 |
◊ |
D |
x,y,z |
1_555 |
128 |
35 |
12655 |
1202.6 |
-8.6 |
0.220 |
12 |
4 |
0 |
1.000 |
| Average: |
1218.6 |
-8.8 |
0.212 |
13 |
5 |
0 |
1.000 |
| 11 |
21 |
|
1 |
98 |
29 |
12353 |
◊ |
Z |
x,y,z |
1_555 |
99 |
30 |
11767 |
945.7 |
1.2 |
0.732 |
16 |
11 |
0 |
0.226 |
22 |
|
M |
99 |
29 |
12345 |
◊ |
L |
x,y,z |
1_555 |
97 |
30 |
11765 |
937.8 |
1.1 |
0.724 |
15 |
11 |
0 |
0.226 |
| Average: |
941.8 |
1.2 |
0.728 |
16 |
11 |
0 |
0.226 |
| 12 |
23 |
|
K |
105 |
28 |
10265 |
◊ |
W |
x,y,z |
1_555 |
100 |
24 |
9840 |
945.1 |
-4.0 |
0.519 |
17 |
5 |
0 |
0.245 |
24 |
|
Y |
106 |
28 |
10247 |
◊ |
I |
x,y,z |
1_555 |
101 |
24 |
9814 |
939.2 |
-4.0 |
0.525 |
17 |
5 |
0 |
0.245 |
| Average: |
942.1 |
-4.0 |
0.522 |
17 |
5 |
0 |
0.245 |
| 13 |
25 |
|
1 |
89 |
24 |
12353 |
◊ |
H |
x,y,z |
1_555 |
90 |
26 |
13022 |
889.7 |
-10.8 |
0.162 |
4 |
1 |
0 |
0.385 |
26 |
|
M |
85 |
24 |
12345 |
◊ |
V |
x,y,z |
1_555 |
89 |
26 |
13026 |
884.6 |
-10.7 |
0.151 |
4 |
2 |
0 |
0.385 |
| Average: |
887.1 |
-10.7 |
0.156 |
4 |
2 |
0 |
0.385 |
| 14 |
27 |
|
K |
86 |
21 |
10265 |
◊ |
X |
x,y,z |
1_555 |
80 |
19 |
10377 |
771.0 |
-4.3 |
0.380 |
8 |
9 |
0 |
0.184 |
28 |
|
Y |
86 |
21 |
10247 |
◊ |
J |
x,y,z |
1_555 |
81 |
19 |
10357 |
769.3 |
-4.4 |
0.374 |
8 |
9 |
0 |
0.184 |
| Average: |
770.2 |
-4.3 |
0.377 |
8 |
9 |
0 |
0.184 |
| 15 |
29 |
|
L |
72 |
21 |
11765 |
◊ |
K |
x,y,z |
1_555 |
74 |
21 |
10265 |
690.3 |
-2.8 |
0.373 |
13 |
5 |
0 |
0.177 |
30 |
|
Z |
71 |
21 |
11767 |
◊ |
Y |
x,y,z |
1_555 |
76 |
21 |
10247 |
686.6 |
-2.8 |
0.380 |
13 |
5 |
0 |
0.177 |
| Average: |
688.4 |
-2.8 |
0.376 |
13 |
5 |
0 |
0.177 |
| 16 |
31 |
|
X |
77 |
18 |
10377 |
◊ |
J |
x,y,z |
1_555 |
75 |
19 |
10357 |
688.6 |
-2.9 |
0.427 |
12 |
2 |
0 |
0.086 |
| 17 |
32 |
|
L |
77 |
21 |
11765 |
◊ |
W |
x,y,z |
1_555 |
85 |
19 |
9840 |
677.4 |
-2.5 |
0.508 |
7 |
5 |
0 |
0.137 |
33 |
|
Z |
79 |
21 |
11767 |
◊ |
I |
x,y,z |
1_555 |
84 |
19 |
9814 |
675.5 |
-2.5 |
0.510 |
7 |
5 |
0 |
0.137 |
| Average: |
676.5 |
-2.5 |
0.509 |
7 |
5 |
0 |
0.137 |
| 18 |
34 |
|
H |
64 |
16 |
13022 |
◊ |
G |
x,y,z |
1_555 |
69 |
17 |
12710 |
640.0 |
-0.1 |
0.649 |
10 |
12 |
0 |
0.072 |
35 |
|
V |
64 |
16 |
13026 |
◊ |
U |
x,y,z |
1_555 |
70 |
17 |
12716 |
639.0 |
-0.3 |
0.642 |
10 |
12 |
0 |
0.072 |
| Average: |
639.5 |
-0.2 |
0.645 |
10 |
12 |
0 |
0.072 |
| 19 |
36 |
|
H |
60 |
17 |
13022 |
◊ |
A |
x,y,z |
1_555 |
76 |
21 |
13184 |
630.1 |
-3.2 |
0.528 |
10 |
3 |
0 |
0.091 |
37 |
|
V |
61 |
16 |
13026 |
◊ |
O |
x,y,z |
1_555 |
75 |
20 |
13193 |
627.5 |
-3.4 |
0.520 |
10 |
3 |
0 |
0.091 |
| Average: |
628.8 |
-3.3 |
0.524 |
10 |
3 |
0 |
0.091 |
| 20 |
38 |
|
Y |
66 |
23 |
10247 |
◊ |
X |
x,y,z |
1_555 |
60 |
18 |
10377 |
628.8 |
-2.2 |
0.504 |
6 |
4 |
0 |
0.109 |
39 |
|
K |
66 |
23 |
10265 |
◊ |
J |
x,y,z |
1_555 |
61 |
18 |
10357 |
624.2 |
-2.2 |
0.506 |
6 |
4 |
0 |
0.109 |
| Average: |
626.5 |
-2.2 |
0.505 |
6 |
4 |
0 |
0.109 |
| 21 |
40 |
|
M |
72 |
20 |
12345 |
◊ |
E |
x,y,z |
1_555 |
59 |
14 |
11798 |
619.4 |
-2.1 |
0.501 |
8 |
3 |
0 |
0.032 |
41 |
|
1 |
71 |
20 |
12353 |
◊ |
S |
x,y,z |
1_555 |
59 |
14 |
11797 |
616.0 |
-2.0 |
0.505 |
8 |
3 |
0 |
0.032 |
| Average: |
617.7 |
-2.0 |
0.503 |
8 |
3 |
0 |
0.032 |
| 22 |
42 |
|
N |
70 |
16 |
9534 |
◊ |
2 |
x,y,z |
1_555 |
69 |
16 |
9526 |
618.8 |
-4.2 |
0.351 |
12 |
4 |
0 |
0.056 |
| 23 |
43 |
|
2 |
63 |
20 |
9526 |
◊ |
1 |
x,y,z |
1_555 |
66 |
20 |
12353 |
604.2 |
-1.8 |
0.524 |
8 |
2 |
0 |
0.063 |
44 |
|
N |
65 |
21 |
9534 |
◊ |
M |
x,y,z |
1_555 |
68 |
20 |
12345 |
603.6 |
-1.8 |
0.532 |
8 |
2 |
0 |
0.063 |
| Average: |
603.9 |
-1.8 |
0.528 |
8 |
2 |
0 |
0.063 |
| 24 |
45 |
|
X |
55 |
20 |
10377 |
◊ |
W |
x,y,z |
1_555 |
63 |
24 |
9840 |
555.6 |
-3.7 |
0.332 |
10 |
5 |
0 |
0.176 |
46 |
|
J |
56 |
20 |
10357 |
◊ |
I |
x,y,z |
1_555 |
62 |
24 |
9814 |
550.8 |
-3.6 |
0.335 |
10 |
5 |
0 |
0.176 |
| Average: |
553.2 |
-3.6 |
0.333 |
10 |
5 |
0 |
0.176 |
| 25 |
47 |
|
X |
57 |
15 |
10377 |
◊ |
P |
x,y,z |
1_555 |
48 |
12 |
12919 |
529.0 |
0.8 |
0.562 |
11 |
3 |
0 |
0.023 |
48 |
|
J |
55 |
15 |
10357 |
◊ |
B |
x,y,z |
1_555 |
49 |
12 |
12914 |
524.7 |
0.8 |
0.553 |
10 |
3 |
0 |
0.023 |
| Average: |
526.8 |
0.8 |
0.558 |
11 |
3 |
0 |
0.023 |
| 26 |
49 |
|
I |
60 |
16 |
9814 |
◊ |
A |
x,y,z |
1_555 |
48 |
12 |
13184 |
515.1 |
-3.5 |
0.480 |
6 |
2 |
0 |
0.046 |
50 |
|
W |
58 |
16 |
9840 |
◊ |
O |
x,y,z |
1_555 |
48 |
12 |
13193 |
514.0 |
-3.5 |
0.473 |
6 |
2 |
0 |
0.046 |
| Average: |
514.6 |
-3.5 |
0.476 |
6 |
2 |
0 |
0.046 |
| 27 |
51 |
|
Z |
57 |
15 |
11767 |
◊ |
R |
x,y,z |
1_555 |
59 |
14 |
12654 |
510.7 |
1.8 |
0.763 |
9 |
4 |
0 |
0.015 |
52 |
|
L |
55 |
14 |
11765 |
◊ |
D |
x,y,z |
1_555 |
56 |
14 |
12655 |
505.6 |
1.7 |
0.754 |
9 |
4 |
0 |
0.015 |
| Average: |
508.2 |
1.7 |
0.758 |
9 |
4 |
0 |
0.015 |
| 28 |
53 |
|
N |
50 |
18 |
9534 |
◊ |
H |
x,y,z |
1_555 |
57 |
20 |
13022 |
493.2 |
-2.3 |
0.559 |
8 |
4 |
0 |
0.110 |
54 |
|
2 |
50 |
17 |
9526 |
◊ |
V |
x,y,z |
1_555 |
54 |
20 |
13026 |
488.0 |
-2.3 |
0.555 |
8 |
4 |
0 |
0.110 |
| Average: |
490.6 |
-2.3 |
0.557 |
8 |
4 |
0 |
0.110 |
| 29 |
55 |
|
W |
45 |
11 |
9840 |
◊ |
P |
x,y,z |
1_555 |
53 |
14 |
12919 |
471.2 |
-2.5 |
0.432 |
8 |
0 |
0 |
0.032 |
56 |
|
I |
43 |
11 |
9814 |
◊ |
B |
x,y,z |
1_555 |
49 |
14 |
12914 |
469.3 |
-2.7 |
0.404 |
7 |
0 |
0 |
0.032 |
| Average: |
470.2 |
-2.6 |
0.418 |
8 |
0 |
0 |
0.032 |
| 30 |
57 |
|
N |
60 |
17 |
9534 |
◊ |
F |
x,y,z |
1_555 |
45 |
11 |
12292 |
457.8 |
-1.6 |
0.548 |
9 |
3 |
0 |
0.049 |
58 |
|
2 |
59 |
17 |
9526 |
◊ |
T |
x,y,z |
1_555 |
45 |
11 |
12317 |
455.9 |
-1.7 |
0.544 |
9 |
3 |
0 |
0.049 |
| Average: |
456.8 |
-1.6 |
0.546 |
9 |
3 |
0 |
0.049 |
| 31 |
59 |
|
[ESY]Y:2000 |
38 |
1 |
870 |
cf |
Y |
x,y,z |
1_555 |
69 |
26 |
10247 |
455.7 |
-4.8 |
0.558 |
5 |
0 |
0 |
0.141 |
60 |
|
[ESY]K:2000 |
38 |
1 |
870 |
cf |
K |
x,y,z |
1_555 |
68 |
26 |
10265 |
454.2 |
-4.8 |
0.551 |
5 |
0 |
0 |
0.141 |
| Average: |
455.0 |
-4.8 |
0.554 |
5 |
0 |
0 |
0.141 |
| 32 |
61 |
|
P |
44 |
17 |
12919 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
53 |
14 |
12655 |
433.3 |
-0.7 |
0.568 |
4 |
0 |
0 |
0.000 |
| 33 |
62 |
|
K |
34 |
10 |
10265 |
◊ |
D |
x,y,z |
1_555 |
41 |
11 |
12655 |
409.2 |
-2.6 |
0.393 |
4 |
7 |
0 |
0.032 |
63 |
|
Y |
33 |
10 |
10247 |
◊ |
R |
x,y,z |
1_555 |
41 |
11 |
12654 |
407.8 |
-2.7 |
0.376 |
5 |
8 |
0 |
0.032 |
| Average: |
408.5 |
-2.6 |
0.384 |
5 |
8 |
0 |
0.032 |
| 34 |
64 |
|
J |
40 |
9 |
10357 |
◊ |
C |
x,y,z |
1_555 |
45 |
11 |
12929 |
401.2 |
-2.2 |
0.332 |
5 |
4 |
0 |
0.027 |
65 |
|
X |
40 |
9 |
10377 |
◊ |
Q |
x,y,z |
1_555 |
46 |
11 |
12950 |
399.2 |
-2.4 |
0.317 |
5 |
4 |
0 |
0.027 |
| Average: |
400.2 |
-2.3 |
0.325 |
5 |
4 |
0 |
0.027 |
| 35 |
66 |
|
N |
44 |
12 |
9534 |
◊ |
G |
x,y,z |
1_555 |
45 |
13 |
12710 |
399.7 |
-3.7 |
0.309 |
2 |
2 |
0 |
0.050 |
67 |
|
2 |
45 |
12 |
9526 |
◊ |
U |
x,y,z |
1_555 |
45 |
13 |
12716 |
395.0 |
-3.0 |
0.369 |
2 |
2 |
0 |
0.050 |
| Average: |
397.3 |
-3.4 |
0.339 |
2 |
2 |
0 |
0.050 |
| 36 |
68 |
|
1 |
44 |
12 |
12353 |
◊ |
T |
x,y,z |
1_555 |
47 |
15 |
12317 |
383.1 |
-0.6 |
0.618 |
6 |
6 |
0 |
0.033 |
69 |
|
M |
42 |
12 |
12345 |
◊ |
F |
x,y,z |
1_555 |
45 |
15 |
12292 |
374.0 |
-0.6 |
0.606 |
6 |
6 |
0 |
0.033 |
| Average: |
378.5 |
-0.6 |
0.612 |
6 |
6 |
0 |
0.033 |
| 37 |
70 |
|
Z |
30 |
7 |
11767 |
◊ |
S |
x,y,z |
1_555 |
44 |
12 |
11797 |
344.7 |
0.5 |
0.571 |
4 |
2 |
0 |
0.010 |
71 |
|
L |
30 |
7 |
11765 |
◊ |
E |
x,y,z |
1_555 |
45 |
12 |
11798 |
338.5 |
0.5 |
0.570 |
5 |
1 |
0 |
0.010 |
| Average: |
341.6 |
0.5 |
0.571 |
5 |
2 |
0 |
0.010 |
| 38 |
72 |
|
U |
32 |
8 |
12716 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
12 |
13184 |
307.1 |
2.3 |
0.839 |
3 |
0 |
0 |
0.000 |
| 39 |
73 |
|
K |
31 |
12 |
10265 |
◊ |
C |
x,y,z |
1_555 |
30 |
9 |
12929 |
287.0 |
1.2 |
0.742 |
5 |
8 |
0 |
0.014 |
74 |
|
Y |
31 |
13 |
10247 |
◊ |
Q |
x,y,z |
1_555 |
31 |
10 |
12950 |
285.0 |
1.2 |
0.742 |
6 |
8 |
0 |
0.014 |
| Average: |
286.0 |
1.2 |
0.742 |
6 |
8 |
0 |
0.014 |
| 40 |
75 |
|
R |
37 |
11 |
12654 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
20 |
8 |
12914 |
240.3 |
-1.8 |
0.211 |
1 |
0 |
0 |
0.000 |
| 41 |
76 |
|
U |
34 |
11 |
12716 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
14 |
12710 |
234.3 |
-0.8 |
0.475 |
0 |
0 |
0 |
0.000 |
| 42 |
77 |
|
T |
21 |
7 |
12317 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
8 |
12292 |
160.8 |
1.0 |
0.759 |
1 |
2 |
0 |
0.000 |
| 43 |
78 |
|
R |
15 |
4 |
12654 |
◊ |
P |
x,y,z |
1_555 |
17 |
3 |
12919 |
137.7 |
0.8 |
0.730 |
1 |
2 |
0 |
0.000 |
79 |
|
D |
15 |
4 |
12655 |
◊ |
B |
x,y,z |
1_555 |
16 |
3 |
12914 |
134.9 |
0.7 |
0.717 |
1 |
2 |
0 |
0.000 |
| Average: |
136.3 |
0.8 |
0.723 |
1 |
2 |
0 |
0.001 |
| 44 |
80 |
|
U |
14 |
4 |
12716 |
◊ |
P |
x,y,z |
1_555 |
14 |
3 |
12919 |
136.8 |
-2.7 |
0.163 |
1 |
0 |
0 |
0.041 |
81 |
|
G |
13 |
4 |
12710 |
◊ |
B |
x,y,z |
1_555 |
15 |
3 |
12914 |
130.5 |
-2.6 |
0.172 |
0 |
0 |
0 |
0.041 |
| Average: |
133.6 |
-2.6 |
0.168 |
1 |
0 |
0 |
0.041 |
| 45 |
82 |
|
F |
15 |
4 |
12292 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
13184 |
136.1 |
-1.8 |
0.393 |
2 |
0 |
0 |
0.038 |
83 |
|
T |
15 |
4 |
12317 |
◊ |
O |
x,y,z |
1_555 |
16 |
4 |
13193 |
133.2 |
-1.8 |
0.397 |
2 |
0 |
0 |
0.038 |
| Average: |
134.6 |
-1.8 |
0.395 |
2 |
0 |
0 |
0.038 |
| 46 |
84 |
|
T |
15 |
5 |
12317 |
◊ |
P |
x,y,z |
1_555 |
14 |
4 |
12919 |
129.9 |
0.8 |
0.760 |
3 |
0 |
0 |
0.015 |
85 |
|
F |
15 |
5 |
12292 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
12914 |
129.7 |
0.8 |
0.753 |
4 |
0 |
0 |
0.015 |
| Average: |
129.8 |
0.8 |
0.756 |
4 |
0 |
0 |
0.015 |
| 47 |
86 |
|
E |
16 |
6 |
11798 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
12914 |
123.7 |
0.8 |
0.687 |
0 |
0 |
0 |
0.000 |
87 |
|
S |
14 |
5 |
11797 |
◊ |
P |
x,y,z |
1_555 |
10 |
4 |
12919 |
115.7 |
0.7 |
0.680 |
1 |
0 |
0 |
0.000 |
| Average: |
119.7 |
0.7 |
0.683 |
1 |
0 |
0 |
0.000 |
| 48 |
88 |
|
T |
16 |
5 |
12317 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
12710 |
99.3 |
-0.3 |
0.565 |
2 |
0 |
0 |
0.000 |
| 49 |
89 |
|
Q |
16 |
4 |
12950 |
◊ |
O |
x,y,z |
1_555 |
9 |
3 |
13193 |
88.4 |
-1.1 |
0.412 |
0 |
0 |
0 |
0.020 |
90 |
|
C |
15 |
4 |
12929 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
13184 |
80.6 |
-1.1 |
0.403 |
0 |
0 |
0 |
0.020 |
| Average: |
84.5 |
-1.1 |
0.408 |
0 |
0 |
0 |
0.020 |
| 50 |
91 |
|
T |
9 |
2 |
12317 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
4 |
11798 |
87.4 |
-1.0 |
0.412 |
1 |
0 |
0 |
0.000 |
| 51 |
92 |
|
[ESY]K:2000 |
8 |
1 |
870 |
◊ |
J |
x,y,z |
1_555 |
9 |
3 |
10357 |
83.8 |
-2.7 |
0.242 |
1 |
0 |
0 |
0.064 |
93 |
|
[ESY]Y:2000 |
8 |
1 |
870 |
◊ |
X |
x,y,z |
1_555 |
10 |
4 |
10377 |
83.0 |
-2.7 |
0.260 |
1 |
0 |
0 |
0.064 |
| Average: |
83.4 |
-2.7 |
0.251 |
1 |
0 |
0 |
0.064 |
| 52 |
94 |
|
Y |
8 |
3 |
10247 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
13022 |
81.4 |
-1.6 |
0.218 |
0 |
0 |
0 |
0.013 |
95 |
|
K |
8 |
3 |
10265 |
◊ |
V |
x,y,z |
1_555 |
6 |
2 |
13026 |
81.2 |
-1.6 |
0.221 |
0 |
0 |
0 |
0.013 |
| Average: |
81.3 |
-1.6 |
0.220 |
0 |
0 |
0 |
0.013 |
| 53 |
96 |
|
1 |
7 |
3 |
12353 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
12710 |
72.2 |
1.0 |
0.731 |
0 |
0 |
0 |
0.000 |
97 |
|
M |
7 |
3 |
12345 |
◊ |
U |
x,y,z |
1_555 |
7 |
3 |
12716 |
70.1 |
0.9 |
0.718 |
0 |
0 |
0 |
0.000 |
| Average: |
71.2 |
0.9 |
0.725 |
0 |
0 |
0 |
0.000 |
| 54 |
98 |
|
E |
5 |
2 |
11798 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
13184 |
55.2 |
-0.2 |
0.445 |
1 |
0 |
0 |
0.007 |
99 |
|
S |
5 |
2 |
11797 |
◊ |
O |
x,y,z |
1_555 |
5 |
1 |
13193 |
53.5 |
-0.2 |
0.434 |
1 |
0 |
0 |
0.007 |
| Average: |
54.3 |
-0.2 |
0.440 |
1 |
0 |
0 |
0.007 |
| 55 |
100 |
|
R |
4 |
2 |
12654 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
13193 |
35.9 |
0.8 |
0.822 |
1 |
0 |
0 |
0.000 |
101 |
|
D |
3 |
2 |
12655 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13184 |
30.8 |
0.7 |
0.814 |
1 |
0 |
0 |
0.000 |
| Average: |
33.4 |
0.7 |
0.818 |
1 |
0 |
0 |
0.000 |
| 56 |
102 |
|
V |
5 |
1 |
13026 |
◊ |
P |
x,y,z |
1_555 |
6 |
3 |
12919 |
34.9 |
0.1 |
0.630 |
0 |
0 |
0 |
0.000 |
103 |
|
H |
4 |
1 |
13022 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
12914 |
30.1 |
0.1 |
0.651 |
0 |
0 |
0 |
0.000 |
| Average: |
32.5 |
0.1 |
0.640 |
0 |
0 |
0 |
0.000 |
| 57 |
104 |
|
[ESY]Y:2000 |
3 |
1 |
870 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
10357 |
33.8 |
-0.8 |
0.276 |
0 |
0 |
0 |
0.015 |
105 |
|
[ESY]K:2000 |
3 |
1 |
870 |
◊ |
X |
x,y,z |
1_555 |
3 |
1 |
10377 |
32.8 |
-0.7 |
0.281 |
0 |
0 |
0 |
0.015 |
| Average: |
33.3 |
-0.8 |
0.279 |
0 |
0 |
0 |
0.015 |
| 58 |
106 |
|
[ESY]K:2000 |
3 |
1 |
870 |
◊ |
W |
x,y,z |
1_555 |
2 |
1 |
9840 |
31.2 |
1.0 |
0.787 |
0 |
0 |
0 |
0.000 |
107 |
|
[ESY]Y:2000 |
3 |
1 |
870 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
9814 |
30.3 |
1.0 |
0.801 |
0 |
0 |
0 |
0.000 |
| Average: |
30.7 |
1.0 |
0.794 |
0 |
0 |
0 |
0.000 |
| 59 |
108 |
|
U |
4 |
1 |
12716 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
3 |
12292 |
26.5 |
0.2 |
0.712 |
0 |
0 |
0 |
0.000 |
| 60 |
109 |
|
S |
1 |
1 |
11797 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12929 |
7.6 |
0.0 |
0.471 |
0 |
0 |
0 |
0.000 |
|