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2-[3-methyl-4-(n-methyl-guanidino)-butyrylamino]-3-(4-phenylethynyl-phenyl)-propionic acid methyl ester (FRG) Summary
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2-[3-methyl-4-(n-methyl-guanidino)-butyrylamino]-3-(4-phenylethynyl-phenyl)-propionic acid methyl ester (FRG) Summary
PCA
Molecule
Trajectories
PCA
Clusters
Dihedrals
QM
PCA Table
Animation mode
Eigen value (Ų)
Collectivity index
Eigen vector stiffness constant (kcal/(mol*Ų))
1
67.5546
0.9363
8.82
2
65.5060
0.9499
9.10
3
52.6642
0.9522
11.32
4
51.1447
0.9524
11.66
5
27.2306
0.9631
21.89
6
26.6459
0.9562
22.37
7
18.9982
0.7726
31.38
8
17.9154
0.7539
33.27
9
16.5215
0.8153
36.08
10
15.7944
0.7881
37.74
11
15.3161
0.7637
38.92
12
14.4899
0.7304
41.14
13
8.9438
0.8228
66.65
14
7.8311
0.8600
76.12
15
7.1884
0.6532
82.93
16
6.8952
0.7125
86.46
17
6.6014
0.6386
90.30
18
6.4186
0.6379
92.88
19
6.0050
0.8061
99.27
20
5.7456
0.8632
103.75
21
5.4114
0.7532
110.16
22
5.1858
0.7148
114.95
23
5.0691
0.6474
117.60
24
4.9318
0.8246
120.87
25
4.8167
0.7529
123.76
26
4.8113
0.7976
123.90
27
4.4667
0.8075
133.46
28
4.3902
0.7615
135.79
29
4.2013
0.6620
141.89
30
4.0767
0.7705
146.23
31
3.6883
0.8647
161.63
32
3.5237
0.7727
169.17
33
3.3128
0.8182
179.95
34
3.2456
0.8052
183.67
35
3.1768
0.7759
187.65
36
3.1147
0.8024
191.39
37
2.9653
0.8246
201.03
38
2.9055
0.6305
205.18
39
2.6489
0.8509
225.05
40
2.5555
0.7867
233.27
41
2.3629
0.7388
252.29
42
2.3053
0.6853
258.59
43
2.2556
0.7731
264.29
44
2.0544
0.7770
290.17
45
2.0494
0.8224
290.88
46
1.9604
0.7223
304.08
47
1.9194
0.7563
310.58
48
1.8713
0.7459
318.56
49
1.7643
0.8169
337.88
50
1.5934
0.7839
374.12
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