| ## |
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 |
51 |
9918 |
◊ |
H |
x,y,z |
1_555 |
158 |
42 |
13109 |
1558.5 |
-14.1 |
0.277 |
24 |
16 |
0 |
1.000 |
2 |
|
W |
174 |
53 |
9918 |
◊ |
V |
x,y,z |
1_555 |
159 |
42 |
13220 |
1557.9 |
-14.3 |
0.278 |
27 |
17 |
0 |
1.000 |
| Average: |
1558.2 |
-14.2 |
0.277 |
26 |
17 |
0 |
1.000 |
| 2 |
3 |
|
G |
161 |
40 |
12772 |
◊ |
A |
x,y,z |
1_555 |
143 |
38 |
13543 |
1450.9 |
-15.8 |
0.144 |
13 |
1 |
0 |
0.256 |
4 |
|
U |
154 |
39 |
12807 |
◊ |
O |
x,y,z |
1_555 |
146 |
39 |
13419 |
1416.3 |
-15.7 |
0.152 |
12 |
4 |
0 |
0.256 |
| Average: |
1433.6 |
-15.8 |
0.148 |
13 |
3 |
0 |
0.256 |
| 3 |
5 |
|
C |
145 |
34 |
13232 |
◊ |
B |
x,y,z |
1_555 |
162 |
39 |
12117 |
1418.0 |
-11.6 |
0.211 |
14 |
2 |
0 |
0.362 |
6 |
|
Q |
138 |
33 |
13317 |
◊ |
P |
x,y,z |
1_555 |
160 |
39 |
12229 |
1397.2 |
-12.3 |
0.180 |
18 |
2 |
0 |
0.362 |
| Average: |
1407.6 |
-11.9 |
0.196 |
16 |
2 |
0 |
0.362 |
| 4 |
7 |
|
Z |
155 |
38 |
11813 |
◊ |
H |
x,y,z |
1_555 |
135 |
34 |
13109 |
1377.6 |
-6.7 |
0.479 |
16 |
7 |
0 |
0.605 |
8 |
|
L |
153 |
38 |
11863 |
◊ |
V |
x,y,z |
1_555 |
133 |
35 |
13220 |
1377.3 |
-5.6 |
0.524 |
17 |
3 |
0 |
0.605 |
| Average: |
1377.4 |
-6.1 |
0.501 |
17 |
5 |
0 |
0.605 |
| 5 |
9 |
|
U |
140 |
33 |
12807 |
◊ |
T |
x,y,z |
1_555 |
151 |
34 |
12112 |
1354.8 |
-13.2 |
0.191 |
15 |
2 |
0 |
1.000 |
10 |
|
G |
140 |
33 |
12772 |
◊ |
F |
x,y,z |
1_555 |
143 |
35 |
12234 |
1319.8 |
-13.4 |
0.164 |
14 |
2 |
0 |
1.000 |
| Average: |
1337.3 |
-13.3 |
0.177 |
15 |
2 |
0 |
1.000 |
| 6 |
11 |
|
2 |
137 |
39 |
9704 |
◊ |
M |
x,y,z |
1_555 |
133 |
28 |
12609 |
1309.8 |
-7.1 |
0.411 |
27 |
7 |
0 |
1.000 |
12 |
|
N |
139 |
40 |
9625 |
◊ |
1 |
x,y,z |
1_555 |
131 |
28 |
12531 |
1295.5 |
-7.4 |
0.403 |
27 |
7 |
0 |
1.000 |
| Average: |
1302.7 |
-7.2 |
0.407 |
27 |
7 |
0 |
1.000 |
| 7 |
13 |
|
F |
141 |
31 |
12234 |
◊ |
E |
x,y,z |
1_555 |
141 |
37 |
11990 |
1272.0 |
-11.1 |
0.220 |
11 |
4 |
0 |
0.516 |
14 |
|
T |
124 |
31 |
12112 |
◊ |
S |
x,y,z |
1_555 |
139 |
38 |
12057 |
1269.0 |
-11.2 |
0.204 |
12 |
4 |
0 |
0.516 |
| Average: |
1270.5 |
-11.2 |
0.212 |
12 |
4 |
0 |
0.516 |
| 8 |
15 |
|
D |
120 |
34 |
12608 |
◊ |
C |
x,y,z |
1_555 |
143 |
38 |
13232 |
1262.6 |
-11.7 |
0.129 |
16 |
2 |
0 |
0.348 |
16 |
|
R |
114 |
30 |
12323 |
◊ |
Q |
x,y,z |
1_555 |
130 |
35 |
13317 |
1210.2 |
-11.6 |
0.134 |
13 |
2 |
0 |
0.348 |
| Average: |
1236.4 |
-11.6 |
0.131 |
15 |
2 |
0 |
0.348 |
| 9 |
17 |
|
P |
122 |
33 |
12229 |
◊ |
O |
x,y,z |
1_555 |
144 |
39 |
13419 |
1228.0 |
-11.3 |
0.288 |
12 |
1 |
0 |
1.000 |
18 |
|
B |
121 |
31 |
12117 |
◊ |
A |
x,y,z |
1_555 |
140 |
39 |
13543 |
1188.6 |
-12.8 |
0.221 |
15 |
1 |
0 |
1.000 |
| Average: |
1208.3 |
-12.1 |
0.254 |
14 |
1 |
0 |
1.000 |
| 10 |
19 |
|
E |
117 |
31 |
11990 |
◊ |
D |
x,y,z |
1_555 |
107 |
30 |
12608 |
1066.2 |
-9.2 |
0.196 |
13 |
5 |
0 |
1.000 |
20 |
|
S |
112 |
31 |
12057 |
◊ |
R |
x,y,z |
1_555 |
117 |
32 |
12323 |
1064.4 |
-11.6 |
0.123 |
8 |
6 |
0 |
1.000 |
| Average: |
1065.3 |
-10.4 |
0.160 |
11 |
6 |
0 |
1.000 |
| 11 |
21 |
|
Y |
110 |
29 |
10284 |
◊ |
I |
x,y,z |
1_555 |
111 |
27 |
9918 |
1019.3 |
-4.3 |
0.500 |
19 |
4 |
0 |
0.597 |
22 |
|
K |
108 |
29 |
10257 |
◊ |
W |
x,y,z |
1_555 |
102 |
25 |
9918 |
989.6 |
-3.6 |
0.549 |
18 |
7 |
0 |
0.597 |
| Average: |
1004.4 |
-3.9 |
0.525 |
19 |
6 |
0 |
0.597 |
| 12 |
23 |
|
M |
94 |
27 |
12609 |
◊ |
L |
x,y,z |
1_555 |
100 |
30 |
11863 |
960.0 |
2.0 |
0.780 |
14 |
11 |
0 |
0.178 |
24 |
|
1 |
97 |
27 |
12531 |
◊ |
Z |
x,y,z |
1_555 |
98 |
30 |
11813 |
956.7 |
0.0 |
0.671 |
15 |
10 |
0 |
0.178 |
| Average: |
958.3 |
1.0 |
0.725 |
15 |
11 |
0 |
0.178 |
| 13 |
25 |
|
M |
91 |
24 |
12609 |
◊ |
V |
x,y,z |
1_555 |
106 |
28 |
13220 |
924.9 |
-9.3 |
0.286 |
4 |
2 |
0 |
0.289 |
26 |
|
1 |
89 |
24 |
12531 |
◊ |
H |
x,y,z |
1_555 |
101 |
26 |
13109 |
910.5 |
-11.2 |
0.164 |
4 |
2 |
0 |
0.289 |
| Average: |
917.7 |
-10.3 |
0.225 |
4 |
2 |
0 |
0.289 |
| 14 |
27 |
|
Y |
90 |
23 |
10284 |
◊ |
J |
x,y,z |
1_555 |
85 |
19 |
10448 |
768.6 |
-1.9 |
0.569 |
10 |
11 |
0 |
0.168 |
28 |
|
K |
89 |
22 |
10257 |
◊ |
X |
x,y,z |
1_555 |
84 |
18 |
10569 |
767.3 |
-1.8 |
0.557 |
13 |
10 |
0 |
0.168 |
| Average: |
768.0 |
-1.9 |
0.563 |
12 |
11 |
0 |
0.168 |
| 15 |
29 |
|
Z |
81 |
19 |
11813 |
◊ |
I |
x,y,z |
1_555 |
87 |
20 |
9918 |
711.8 |
-3.6 |
0.432 |
8 |
6 |
0 |
0.117 |
30 |
|
L |
75 |
18 |
11863 |
◊ |
W |
x,y,z |
1_555 |
81 |
20 |
9918 |
708.3 |
-3.5 |
0.429 |
7 |
7 |
0 |
0.117 |
| Average: |
710.1 |
-3.6 |
0.431 |
8 |
7 |
0 |
0.117 |
| 16 |
31 |
|
Z |
75 |
22 |
11813 |
◊ |
Y |
x,y,z |
1_555 |
73 |
22 |
10284 |
701.9 |
-2.9 |
0.364 |
14 |
6 |
0 |
0.123 |
32 |
|
L |
76 |
24 |
11863 |
◊ |
K |
x,y,z |
1_555 |
71 |
21 |
10257 |
678.6 |
-3.1 |
0.359 |
13 |
4 |
0 |
0.123 |
| Average: |
690.3 |
-3.0 |
0.361 |
14 |
5 |
0 |
0.123 |
| 17 |
33 |
|
Y |
79 |
26 |
10284 |
◊ |
X |
x,y,z |
1_555 |
63 |
18 |
10569 |
688.8 |
-2.1 |
0.494 |
6 |
6 |
0 |
0.101 |
34 |
|
K |
68 |
23 |
10257 |
◊ |
J |
x,y,z |
1_555 |
57 |
18 |
10448 |
642.4 |
-0.8 |
0.618 |
7 |
4 |
0 |
0.101 |
| Average: |
665.6 |
-1.5 |
0.556 |
7 |
5 |
0 |
0.101 |
| 18 |
35 |
|
X |
76 |
19 |
10569 |
◊ |
J |
x,y,z |
1_555 |
80 |
19 |
10448 |
683.4 |
-2.1 |
0.497 |
15 |
1 |
0 |
0.088 |
| 19 |
36 |
|
H |
64 |
15 |
13109 |
◊ |
G |
x,y,z |
1_555 |
69 |
17 |
12772 |
659.4 |
-0.7 |
0.619 |
10 |
12 |
0 |
0.066 |
37 |
|
V |
65 |
15 |
13220 |
◊ |
U |
x,y,z |
1_555 |
67 |
17 |
12807 |
644.6 |
-0.9 |
0.582 |
10 |
13 |
0 |
0.066 |
| Average: |
652.0 |
-0.8 |
0.600 |
10 |
13 |
0 |
0.066 |
| 20 |
38 |
|
H |
65 |
18 |
13109 |
◊ |
A |
x,y,z |
1_555 |
77 |
21 |
13543 |
655.2 |
-5.2 |
0.454 |
11 |
3 |
0 |
0.085 |
39 |
|
V |
60 |
17 |
13220 |
◊ |
O |
x,y,z |
1_555 |
72 |
19 |
13419 |
645.3 |
-4.5 |
0.448 |
7 |
1 |
0 |
0.085 |
| Average: |
650.3 |
-4.9 |
0.451 |
9 |
2 |
0 |
0.085 |
| 21 |
40 |
|
N |
69 |
16 |
9625 |
◊ |
2 |
x,y,z |
1_555 |
71 |
15 |
9704 |
640.7 |
-4.3 |
0.357 |
10 |
6 |
0 |
0.045 |
| 22 |
41 |
|
N |
64 |
19 |
9625 |
◊ |
M |
x,y,z |
1_555 |
70 |
21 |
12609 |
616.8 |
-1.8 |
0.571 |
6 |
1 |
0 |
0.048 |
42 |
|
2 |
63 |
19 |
9704 |
◊ |
1 |
x,y,z |
1_555 |
64 |
19 |
12531 |
611.1 |
-2.5 |
0.513 |
7 |
1 |
0 |
0.048 |
| Average: |
613.9 |
-2.2 |
0.542 |
7 |
1 |
0 |
0.048 |
| 23 |
43 |
|
J |
63 |
22 |
10448 |
◊ |
I |
x,y,z |
1_555 |
67 |
25 |
9918 |
607.5 |
-4.7 |
0.302 |
7 |
3 |
0 |
0.173 |
44 |
|
X |
61 |
23 |
10569 |
◊ |
W |
x,y,z |
1_555 |
63 |
26 |
9918 |
603.5 |
-5.1 |
0.267 |
8 |
4 |
0 |
0.173 |
| Average: |
605.5 |
-4.9 |
0.284 |
8 |
4 |
0 |
0.173 |
| 24 |
45 |
|
1 |
66 |
19 |
12531 |
◊ |
S |
x,y,z |
1_555 |
59 |
14 |
12057 |
594.5 |
-3.2 |
0.450 |
5 |
2 |
0 |
0.015 |
46 |
|
M |
66 |
18 |
12609 |
◊ |
E |
x,y,z |
1_555 |
60 |
14 |
11990 |
585.7 |
-2.7 |
0.475 |
6 |
2 |
0 |
0.015 |
| Average: |
590.1 |
-3.0 |
0.462 |
6 |
2 |
0 |
0.015 |
| 25 |
47 |
|
X |
58 |
15 |
10569 |
◊ |
P |
x,y,z |
1_555 |
50 |
11 |
12229 |
542.8 |
0.1 |
0.593 |
12 |
3 |
0 |
0.021 |
48 |
|
J |
56 |
15 |
10448 |
◊ |
B |
x,y,z |
1_555 |
52 |
12 |
12117 |
541.7 |
0.7 |
0.661 |
13 |
4 |
0 |
0.021 |
| Average: |
542.3 |
0.4 |
0.627 |
13 |
4 |
0 |
0.021 |
| 26 |
49 |
|
Z |
59 |
16 |
11813 |
◊ |
R |
x,y,z |
1_555 |
59 |
15 |
12323 |
542.8 |
1.8 |
0.765 |
10 |
3 |
0 |
0.008 |
50 |
|
L |
56 |
14 |
11863 |
◊ |
D |
x,y,z |
1_555 |
60 |
15 |
12608 |
514.0 |
1.8 |
0.756 |
10 |
3 |
0 |
0.008 |
| Average: |
528.4 |
1.8 |
0.760 |
10 |
3 |
0 |
0.008 |
| 27 |
51 |
|
W |
60 |
17 |
9918 |
◊ |
O |
x,y,z |
1_555 |
46 |
12 |
13419 |
526.8 |
-1.9 |
0.549 |
6 |
1 |
0 |
0.032 |
52 |
|
I |
60 |
17 |
9918 |
◊ |
A |
x,y,z |
1_555 |
49 |
13 |
13543 |
524.0 |
-2.4 |
0.540 |
6 |
1 |
0 |
0.032 |
| Average: |
525.4 |
-2.2 |
0.545 |
6 |
1 |
0 |
0.032 |
| 28 |
53 |
|
N |
55 |
19 |
9625 |
◊ |
H |
x,y,z |
1_555 |
54 |
20 |
13109 |
507.0 |
-1.1 |
0.637 |
11 |
5 |
0 |
0.107 |
54 |
|
2 |
55 |
19 |
9704 |
◊ |
V |
x,y,z |
1_555 |
52 |
19 |
13220 |
494.5 |
-2.4 |
0.565 |
11 |
5 |
0 |
0.107 |
| Average: |
500.7 |
-1.7 |
0.601 |
11 |
5 |
0 |
0.107 |
| 29 |
55 |
|
W |
49 |
11 |
9918 |
◊ |
P |
x,y,z |
1_555 |
55 |
13 |
12229 |
490.9 |
-3.1 |
0.420 |
8 |
0 |
0 |
0.043 |
56 |
|
I |
44 |
11 |
9918 |
◊ |
B |
x,y,z |
1_555 |
52 |
13 |
12117 |
469.1 |
-3.4 |
0.385 |
5 |
0 |
0 |
0.043 |
| Average: |
480.0 |
-3.2 |
0.403 |
7 |
0 |
0 |
0.043 |
| 30 |
57 |
|
N |
58 |
17 |
9625 |
◊ |
F |
x,y,z |
1_555 |
46 |
11 |
12234 |
445.5 |
-3.2 |
0.419 |
5 |
1 |
0 |
0.026 |
58 |
|
2 |
58 |
18 |
9704 |
◊ |
T |
x,y,z |
1_555 |
46 |
11 |
12112 |
444.9 |
-3.3 |
0.404 |
6 |
1 |
0 |
0.026 |
| Average: |
445.2 |
-3.3 |
0.412 |
6 |
1 |
0 |
0.026 |
| 31 |
59 |
|
P |
47 |
15 |
12229 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
48 |
14 |
12608 |
430.6 |
-0.4 |
0.616 |
5 |
1 |
0 |
0.000 |
| 32 |
60 |
|
1 |
52 |
13 |
12531 |
◊ |
T |
x,y,z |
1_555 |
51 |
17 |
12112 |
422.3 |
0.3 |
0.693 |
7 |
6 |
0 |
0.011 |
61 |
|
M |
47 |
12 |
12609 |
◊ |
F |
x,y,z |
1_555 |
55 |
16 |
12234 |
421.7 |
-0.7 |
0.618 |
6 |
7 |
0 |
0.011 |
| Average: |
422.0 |
-0.2 |
0.655 |
7 |
7 |
0 |
0.011 |
| 33 |
62 |
|
Y |
38 |
10 |
10284 |
◊ |
R |
x,y,z |
1_555 |
45 |
12 |
12323 |
418.0 |
-2.6 |
0.432 |
5 |
8 |
0 |
0.016 |
63 |
|
K |
35 |
10 |
10257 |
◊ |
D |
x,y,z |
1_555 |
45 |
12 |
12608 |
416.8 |
-2.4 |
0.441 |
6 |
8 |
0 |
0.016 |
| Average: |
417.4 |
-2.5 |
0.437 |
6 |
8 |
0 |
0.016 |
| 34 |
64 |
|
N |
47 |
13 |
9625 |
◊ |
G |
x,y,z |
1_555 |
47 |
13 |
12772 |
417.6 |
-2.2 |
0.451 |
3 |
2 |
0 |
0.036 |
65 |
|
2 |
49 |
13 |
9704 |
◊ |
U |
x,y,z |
1_555 |
46 |
13 |
12807 |
416.1 |
-2.7 |
0.412 |
2 |
2 |
0 |
0.036 |
| Average: |
416.9 |
-2.4 |
0.432 |
3 |
2 |
0 |
0.036 |
| 35 |
66 |
|
X |
40 |
8 |
10569 |
◊ |
Q |
x,y,z |
1_555 |
48 |
11 |
13317 |
412.2 |
-3.0 |
0.273 |
6 |
3 |
0 |
0.017 |
67 |
|
J |
38 |
8 |
10448 |
◊ |
C |
x,y,z |
1_555 |
50 |
12 |
13232 |
409.5 |
-2.6 |
0.275 |
4 |
4 |
0 |
0.017 |
| Average: |
410.8 |
-2.8 |
0.274 |
5 |
4 |
0 |
0.017 |
| 36 |
68 |
|
[P3N]K:302 |
34 |
1 |
891 |
f |
K |
x,y,z |
1_555 |
45 |
20 |
10257 |
396.6 |
-2.6 |
0.429 |
4 |
0 |
0 |
0.207 |
69 |
|
[P3N]Y:301 |
35 |
1 |
895 |
f |
Y |
x,y,z |
1_555 |
45 |
20 |
10284 |
394.1 |
-2.4 |
0.448 |
4 |
0 |
0 |
0.207 |
| Average: |
395.3 |
-2.5 |
0.439 |
4 |
0 |
0 |
0.207 |
| 37 |
70 |
|
Z |
36 |
8 |
11813 |
◊ |
S |
x,y,z |
1_555 |
51 |
12 |
12057 |
371.7 |
1.6 |
0.710 |
4 |
2 |
0 |
0.002 |
71 |
|
L |
33 |
9 |
11863 |
◊ |
E |
x,y,z |
1_555 |
53 |
14 |
11990 |
354.2 |
0.3 |
0.603 |
3 |
1 |
0 |
0.002 |
| Average: |
362.9 |
0.9 |
0.656 |
4 |
2 |
0 |
0.002 |
| 38 |
72 |
|
U |
44 |
13 |
12807 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
38 |
11 |
13543 |
335.7 |
3.5 |
0.885 |
6 |
1 |
0 |
0.000 |
| 39 |
73 |
|
T |
29 |
12 |
12112 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
11 |
12234 |
314.2 |
0.7 |
0.742 |
4 |
5 |
0 |
0.000 |
| 40 |
74 |
|
K |
32 |
13 |
10257 |
◊ |
C |
x,y,z |
1_555 |
32 |
10 |
13232 |
305.4 |
2.1 |
0.803 |
7 |
8 |
0 |
0.006 |
75 |
|
Y |
31 |
13 |
10284 |
◊ |
Q |
x,y,z |
1_555 |
33 |
10 |
13317 |
304.1 |
1.8 |
0.792 |
6 |
8 |
0 |
0.006 |
| Average: |
304.7 |
1.9 |
0.798 |
7 |
8 |
0 |
0.006 |
| 41 |
76 |
|
U |
35 |
12 |
12807 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
14 |
12772 |
275.2 |
0.7 |
0.651 |
1 |
0 |
0 |
0.000 |
| 42 |
77 |
|
R |
41 |
14 |
12323 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
20 |
8 |
12117 |
252.4 |
-1.1 |
0.441 |
4 |
2 |
0 |
0.000 |
| 43 |
78 |
|
F |
25 |
7 |
12234 |
◊ |
A |
x,y,z |
1_555 |
21 |
5 |
13543 |
209.5 |
-2.7 |
0.311 |
1 |
0 |
0 |
0.040 |
79 |
|
T |
27 |
7 |
12112 |
◊ |
O |
x,y,z |
1_555 |
18 |
4 |
13419 |
200.6 |
-3.4 |
0.181 |
0 |
0 |
0 |
0.040 |
| Average: |
205.1 |
-3.1 |
0.246 |
1 |
0 |
0 |
0.040 |
| 44 |
80 |
|
[P3N]K:302 |
18 |
1 |
891 |
◊ |
L |
x,y,z |
1_555 |
24 |
8 |
11863 |
191.4 |
-3.4 |
0.328 |
1 |
0 |
0 |
0.046 |
81 |
|
[P3N]Y:301 |
18 |
1 |
895 |
◊ |
Z |
x,y,z |
1_555 |
24 |
8 |
11813 |
190.4 |
-3.1 |
0.338 |
1 |
0 |
0 |
0.046 |
| Average: |
190.9 |
-3.2 |
0.333 |
1 |
0 |
0 |
0.046 |
| 45 |
82 |
|
T |
20 |
8 |
12112 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
4 |
11990 |
162.9 |
-2.5 |
0.247 |
0 |
0 |
0 |
0.000 |
| 46 |
83 |
|
[MES]K:303 |
10 |
1 |
339 |
f |
K |
x,y,z |
1_555 |
27 |
8 |
10257 |
152.3 |
2.8 |
0.132 |
0 |
0 |
0 |
0.000 |
84 |
|
[MES]Y:302 |
10 |
1 |
339 |
f |
Y |
x,y,z |
1_555 |
25 |
8 |
10284 |
151.3 |
2.9 |
0.143 |
0 |
0 |
0 |
0.000 |
| Average: |
151.8 |
2.9 |
0.138 |
0 |
0 |
0 |
0.000 |
| 47 |
85 |
|
K |
13 |
3 |
10257 |
◊ |
V |
x,y,z |
1_555 |
8 |
2 |
13220 |
107.4 |
-1.7 |
0.306 |
0 |
0 |
0 |
0.016 |
86 |
|
Y |
13 |
3 |
10284 |
◊ |
H |
x,y,z |
1_555 |
9 |
2 |
13109 |
101.7 |
-2.5 |
0.174 |
0 |
0 |
0 |
0.016 |
| Average: |
104.6 |
-2.1 |
0.240 |
0 |
0 |
0 |
0.016 |
| 48 |
87 |
|
T |
13 |
4 |
12112 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
12772 |
91.1 |
0.6 |
0.715 |
1 |
0 |
0 |
0.000 |
| 49 |
88 |
|
Q |
13 |
3 |
13317 |
◊ |
O |
x,y,z |
1_555 |
10 |
4 |
13419 |
90.7 |
-1.4 |
0.352 |
1 |
0 |
0 |
0.033 |
89 |
|
C |
12 |
2 |
13232 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
13543 |
79.7 |
-1.3 |
0.329 |
0 |
0 |
0 |
0.033 |
| Average: |
85.2 |
-1.4 |
0.340 |
1 |
0 |
0 |
0.033 |
| 50 |
90 |
|
[MES]Y:302 |
9 |
1 |
339 |
f |
[P3N]Y:301 |
x,y,z |
1_555 |
8 |
1 |
895 |
70.5 |
2.8 |
0.036 |
0 |
0 |
0 |
0.000 |
91 |
|
[MES]K:303 |
10 |
1 |
339 |
f |
[P3N]K:302 |
x,y,z |
1_555 |
7 |
1 |
891 |
67.4 |
2.6 |
0.020 |
0 |
0 |
0 |
0.000 |
| Average: |
69.0 |
2.7 |
0.028 |
0 |
0 |
0 |
0.000 |
| 51 |
92 |
|
M |
8 |
3 |
12609 |
◊ |
U |
x,y,z |
1_555 |
7 |
3 |
12807 |
68.8 |
1.0 |
0.732 |
1 |
0 |
0 |
0.000 |
93 |
|
1 |
7 |
3 |
12531 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
12772 |
68.2 |
0.9 |
0.693 |
1 |
0 |
0 |
0.000 |
| Average: |
68.5 |
0.9 |
0.713 |
1 |
0 |
0 |
0.000 |
| 52 |
94 |
|
U |
7 |
2 |
12807 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
3 |
12234 |
58.8 |
-0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
| 53 |
95 |
|
[MG]I:202 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
13 |
8 |
9918 |
57.0 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.318 |
| 54 |
96 |
|
E |
7 |
2 |
11990 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
13543 |
55.8 |
-0.4 |
0.441 |
0 |
0 |
0 |
0.002 |
97 |
|
S |
4 |
1 |
12057 |
◊ |
O |
x,y,z |
1_555 |
5 |
1 |
13419 |
41.5 |
-0.2 |
0.437 |
0 |
0 |
0 |
0.002 |
| Average: |
48.7 |
-0.3 |
0.439 |
0 |
0 |
0 |
0.002 |
| 55 |
98 |
|
[MG]F:301 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
12 |
7 |
12234 |
55.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.211 |
| 56 |
99 |
|
[MG]L:201 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
13 |
7 |
11863 |
53.2 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.219 |
| 57 |
100 |
|
[MG]L:202 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
10 |
6 |
11863 |
50.8 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.278 |
| 58 |
101 |
|
[MG]G:301 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
7 |
5 |
12772 |
50.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.205 |
| 59 |
102 |
|
[MG]N:201 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
10 |
7 |
9625 |
47.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.247 |
| 60 |
103 |
|
V |
5 |
1 |
13220 |
◊ |
P |
x,y,z |
1_555 |
7 |
3 |
12229 |
47.2 |
0.2 |
0.585 |
0 |
0 |
0 |
0.000 |
104 |
|
H |
5 |
1 |
13109 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
12117 |
37.9 |
0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
| Average: |
42.5 |
0.2 |
0.619 |
0 |
0 |
0 |
0.000 |
| 61 |
105 |
|
[MG]H:301 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
10 |
6 |
13109 |
42.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.281 |
| 62 |
106 |
|
[MG]K:301 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
8 |
6 |
10257 |
42.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.320 |
| 63 |
107 |
|
[MG]I:201 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
9 |
4 |
9918 |
40.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.195 |
| 64 |
108 |
|
[MG]F:302 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
9 |
5 |
12772 |
36.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.093 |
| 65 |
109 |
|
[MG]F:302 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
12234 |
35.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.092 |
| 66 |
110 |
|
[MG]L:201 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
12608 |
28.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.004 |
| 67 |
111 |
|
[MG]K:301 |
1 |
1 |
98 |
◊ |
W |
x,y,z |
1_555 |
4 |
1 |
9918 |
27.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.132 |
| 68 |
112 |
|
[MG]H:301 |
1 |
1 |
98 |
◊ |
Z |
x,y,z |
1_555 |
5 |
2 |
11813 |
25.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.114 |
| 69 |
113 |
|
[MG]N:201 |
1 |
1 |
98 |
◊ |
1 |
x,y,z |
1_555 |
1 |
1 |
12531 |
21.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.081 |
| 70 |
114 |
|
[MG]F:302 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13543 |
15.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.014 |
| 71 |
115 |
|
[MG]L:202 |
1 |
1 |
98 |
◊ |
V |
x,y,z |
1_555 |
4 |
2 |
13220 |
15.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.040 |
| 72 |
116 |
|
[MG]I:202 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
3 |
2 |
10284 |
11.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.040 |
| 73 |
117 |
|
S |
2 |
1 |
12057 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
13232 |
8.2 |
-0.0 |
0.566 |
0 |
0 |
0 |
0.000 |
| 74 |
118 |
|
P |
1 |
1 |
12229 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
1 |
1 |
13232 |
2.8 |
0.1 |
0.575 |
0 |
0 |
0 |
0.000 |
|