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root/owl/trunk/src/owl/tests/core/structure/data/1tdrA.grades
Revision: 1008
Committed: Wed Mar 31 14:03:27 2010 UTC (12 years, 3 months ago) by hstehr
File size: 11017 byte(s)
Log Message:
refactoring: adapting test packages to match new package structure
Line User Rev File contents
1 jmduarteg 987 Amino Acid Conservation Scores
2     ===============================
3    
4     - POS: The position of the AA in the SEQRES derived sequence.
5     - SEQ: The SEQRES derived sequence in one letter code.
6     - SCORE: The normalized conservation scores.
7     - 3LATOM: The ATOM derived sequence in three letter code, including the AA's positions as they appear in the PDB file and the chain identifier.
8     - COLOR: The color scale representing the conservation scores (9 - conserved, 1 - variable).
9     - MSA DATA: The number of aligned sequences having an amino acid (non-gapped) from the overall number of sequences at each position.
10     - RESIDUE VARIETY: The residues variety at each position of the multiple sequence alignment.
11    
12     POS SEQ 3LATOM SCORE COLOR MSA DATA RESIDUE VARIETY
13     1 M MET1:A -0.724 7 30/173 I,L,M,V
14     2 I ILE2:A -0.424 6 105/173 F,I,L,M,V
15     3 S SER3:A -0.621 7 131/173 A,C,D,G,H,I,K,M,N,Q,S,T,V,Y
16     4 L LEU4:A -0.188 6 137/173 A,C,F,G,I,L,M,S,V
17     5 I ILE5:A -0.961 8 140/173 I,K,L,M,V,Y
18     6 A ALA6:A -0.832 8 140/173 A,F,I,L,S,V,W,Y
19     7 A ALA7:A -1.351 9 146/173 A,C,F,S
20     8 L LEU8:A 0.473 4 146/173 A,C,E,G,H,I,K,L,M,N,Q,R,S,T,V
21     9 A ALA9:A -0.312 6 146/173 A,C,D,G,K,N,Q,R,S,T,V
22     10 V VAL10:A 0.808 2 146/173 A,D,E,H,I,K,L,M,P,Q,R,S,T,V
23     11 D ASP11:A -0.555 7 146/173 A,D,E,F,H,K,N,Q,R,S,T,Y
24     12 R ARG12:A -0.045 5 162/173 C,F,G,H,K,L,M,N,R,S,W,Y
25     13 V VAL13:A -0.778 7 162/173 A,C,E,G,I,L,N,V,Y
26     14 I ILE14:A -1.310 9 164/173 F,I,L,M
27     15 G GLY15:A -1.357 9 164/173 G,N,S
28     16 M MET16:A 0.226 4 164/173 A,C,D,E,F,G,I,K,L,M,N,Q,R,S,V,Y
29     17 E GLU17:A 0.014 5 164/173 A,D,E,G,K,L,N,Q,R,S
30     18 N ASN18:A -0.741 7 164/173 D,E,G,L,M,N,P,R,S
31     19 A ALA19:A 1.098 2 164/173 A,D,E,G,H,K,L,M,N,Q,R,S,T,V,Y
32     20 M MET20:A -0.632 7 164/173 F,I,L,M,V
33     21 P PRO21:A -1.362 9 164/173 I,P,R
34     22 W TRP22:A -1.355 9 164/173 L,W
35     23 N ASN23:A -0.243 6 164/173 D,E,H,K,N,P,R,S,T,Y
36     24 L LEU24:A -0.461 6 164/173 A,C,E,I,L,N,S,V,W,X,Y
37     25 P PRO25:A -0.489 7 164/173 A,I,K,M,N,P,R,S,T
38     26 A ALA26:A 0.003 5 164/173 A,D,E,G,K,L,N,Q,R,S,T,V
39     27 D ASP27:A -1.190 9 164/173 D,E,T
40     28 L LEU28:A -0.580 7 164/173 F,I,K,L,M,Q,W,Y
41     29 A ALA29:A 0.032 5 164/173 A,D,E,K,L,M,N,Q,R,S,T,V,Y
42     30 W TRP30:A -0.122 5 164/173 F,H,I,L,M,Q,R,W,Y
43     31 F PHE31:A -1.232 9 164/173 E,F,I,V,Y
44     32 K LYS32:A -0.465 6 172/173 A,K,N,Q,R,S,T,X,Y
45     33 R ARG33:A 0.410 4 172/173 A,D,E,H,K,N,Q,R,S,T,V
46     34 N ASN34:A 0.346 4 173/173 C,D,H,I,K,L,M,N,P,Q,R,T,V,Y
47     35 T THR35:A -1.256 9 173/173 I,K,N,S,T
48     36 L LEU36:A -0.121 5 173/173 A,E,I,K,L,M,N,Q,R,S,T,V,Y
49     37 D ASP37:A -0.433 6 173/173 D,F,G,K,M,N,Q,R,S,T
50     38 K LYS38:A -0.849 8 173/173 A,C,D,H,K,L,N,Q,R,S,V
51     39 P PRO39:A -0.541 7 173/173 A,C,I,K,L,N,P,S,T,V,W
52     40 V VAL40:A -0.778 7 173/173 I,L,M,N,T,V
53     41 I ILE41:A -0.781 7 173/173 I,L,V
54     42 M MET42:A -1.370 9 173/173 L,M,V
55     43 G GLY43:A -1.396 9 173/173 A,G
56     44 R ARG44:A -1.308 9 173/173 K,R
57     45 H HIS45:A -0.857 8 173/173 A,H,K,L,N,R,S,T,V
58     46 T THR46:A -1.216 9 173/173 C,N,S,T,V,X
59     47 W TRP47:A -0.280 6 173/173 A,F,L,M,R,W,Y
60     48 E GLU48:A -0.711 7 173/173 A,D,E,F,H,L,N,Q
61     49 S SER49:A -1.280 9 173/173 C,E,G,S,T,V
62     50 I ILE50:A -0.811 8 173/173 I,L,M,P,T,V
63     51 G GLY51:A -0.818 8 173/173 A,D,E,G,K,L,N,P,R,V
64     52 R ARG52:A -0.882 8 161/173 D,F,G,H,K,N,R,V
65     53 P PRO53:A -0.792 7 173/173 A,D,G,K,L,P,R,S,V
66     54 L LEU54:A -1.395 9 173/173 L,Y
67     55 P PRO55:A -0.490 7 173/173 A,E,K,L,N,P,Q,S,V
68     56 G GLY56:A -0.319 6 173/173 C,D,E,G,H,K,M,N,P,Y
69     57 R ARG57:A -1.335 9 173/173 G,K,Q,R,S
70     58 K LYS58:A 0.179 4 173/173 A,E,H,I,K,L,M,N,P,R,T,V
71     59 N ASN59:A -1.068 8 173/173 C,D,E,H,I,N,Q,S,T,V,Y
72     60 I ILE60:A -0.717 7 173/173 A,F,I,L,T,V
73     61 I ILE61:A -1.093 8 173/173 I,L,V
74     62 L LEU62:A -0.290 6 173/173 F,I,L,M,V
75     63 S SER63:A -1.114 8 173/173 F,L,S,T
76     64 S SER64:A -0.702 7 173/173 C,G,H,K,N,R,S,T
77     65 Q GLN65:A 0.159 5 172/173 A,D,E,G,K,N,Q,R,S,T
78     66 P PRO66:A 1.808 1 170/173 A,D,E,F,G,H,I,K,L,N,P,Q,R,S,T,V,Y
79     67 G GLY67:A 1.577 1 169/173 A,D,E,F,G,H,I,K,L,M,N,P,Q,R,S,T,V,W,Y
80     68 T THR68:A 1.593 1 169/173 A,C,D,E,F,H,I,K,L,M,N,P,Q,R,S,T,V,Y
81     69 D ASP69:A 1.476 1 170/173 A,C,D,E,F,G,H,I,K,L,N,P,Q,R,S,T,V,Y
82     70 D ASP70:A 0.605 3 170/173 A,C,D,E,F,G,H,K,N,P,Q,R,S,T
83     71 R ARG71:A 0.323 4 170/173 D,E,G,H,I,K,L,N,P,Q,R,S,T
84     72 V VAL72:A -0.039 5 170/173 A,C,D,G,I,K,L,M,N,P,R,S,T,V,W,Y
85     73 T THR73:A 1.420 1 170/173 A,C,D,E,F,G,H,I,K,L,M,Q,R,S,T,V,Y
86     74 W TRP74:A 0.159 5 170/173 A,C,E,F,G,H,I,L,P,Q,R,S,T,V,W,Y
87     75 V VAL75:A 0.112 5 170/173 A,C,F,G,I,K,L,M,N,P,Q,S,T,V,Y
88     76 K LYS76:A 1.374 1 170/173 A,C,D,E,F,G,H,I,K,L,N,P,Q,R,S,T,V,Y
89     77 S SER77:A -0.849 8 170/173 A,D,E,G,K,N,Q,R,S,T
90     78 V VAL78:A 0.424 4 170/173 A,E,F,G,I,K,L,M,P,R,T,V,Y
91     79 D ASP79:A 0.508 3 170/173 A,D,E,F,I,K,L,M,N,P,Q,S,V
92     80 E GLU80:A 0.425 4 170/173 A,D,E,G,H,I,K,N,Q,R,S,V
93     81 A ALA81:A -0.897 8 170/173 A,E,H,I,L,P,S,T,V,Y
94     82 I ILE82:A 0.302 4 170/173 A,E,F,G,I,K,L,M,Q,R,V,W,Y
95     83 A ALA83:A 1.270 1 170/173 A,D,E,I,K,L,M,N,P,Q,R,S,T,V,Y
96     84 A ALA84:A 1.484 1 169/173 A,E,F,G,H,I,K,L,N,P,Q,R,S,T,V,W,Y
97     85 C CYS85:A 0.800 2 166/173 A,C,D,E,H,I,K,L,M,N,P,Q,R,S,T,V,W,Y
98     86 G GLY86:A 3.577 1 167/173 A,D,E,G,I,K,L,N,P,Q,R,S,T,V
99     87 D ASP87:A 0.241 4 167/173 A,D,E,G,H,K,L,N,Q,S,T,Y
100     88 V VAL88:A 1.406 1 168/173 A,C,D,E,F,G,H,I,K,L,N,P,Q,S,T,V,Y
101     89 P PRO89:A 0.407 4 165/173 D,E,G,K,N,P,Q,R,S,T,Y
102     90 E GLU90:A -0.550 7 163/173 A,D,E,H,K,M,N,P,Q,R,S,T,V
103     91 I ILE91:A -0.318 6 163/173 A,C,I,L,M,N,P,T,V
104     92 M MET92:A -0.277 6 169/173 A,C,F,I,L,M,S,V,W,Y
105     93 V VAL93:A -0.752 7 169/173 C,I,L,N,V
106     94 I ILE94:A -0.896 8 169/173 A,C,F,I,L,M,S,T,V
107     95 G GLY95:A -1.396 9 169/173 G,R
108     96 G GLY96:A -1.435 9 169/173 G
109     97 G GLY97:A -0.365 6 169/173 A,E,G,K,N,Q,R,S,T,Y
110     98 R ARG98:A 0.183 4 169/173 A,D,E,G,K,N,Q,R,S,T,V,Y
111     99 V VAL99:A -0.731 7 169/173 A,I,L,V
112     100 Y TYR100:A -0.746 7 169/173 F,L,Y
113     101 E GLU101:A 0.767 3 169/173 A,D,E,G,K,L,N,Q,R,S,T,V
114     102 Q GLN102:A 0.594 3 169/173 A,D,E,L,M,N,Q,R,S,V,W
115     103 F PHE103:A -0.355 6 169/173 A,C,F,H,I,L,M,S,T,V,Y
116     104 L LEU104:A -0.250 6 169/173 A,E,F,I,K,L,M,Q,W
117     105 P PRO105:A 1.195 1 169/173 A,C,D,E,F,G,H,K,L,N,P,Q,R,S,T
118     106 K LYS106:A 1.466 1 169/173 A,D,E,F,G,H,I,K,L,M,N,P,Q,R,S,V,Y
119     107 A ALA107:A -0.342 6 169/173 A,C,D,H,I,K,L,N,P,S,T,V
120     108 Q GLN108:A 0.162 4 169/173 A,D,E,G,H,K,L,N,Q,R,S,T,V
121     109 K LYS109:A 0.129 5 169/173 A,D,E,G,H,I,K,L,Q,R,S,T,V
122     110 L LEU110:A -0.646 7 169/173 C,I,L,M,V,W
123     111 Y TYR111:A -0.063 5 169/173 E,F,G,H,I,L,M,R,S,V,W,Y
124     112 L LEU112:A -0.035 5 169/173 A,E,F,I,L,M,R,V
125     113 T THR113:A -1.372 9 169/173 S,T
126     114 H HIS114:A 0.430 4 169/173 D,E,F,H,I,K,L,Q,R,T,V,Y
127     115 I ILE115:A -1.060 8 169/173 I,L,V
128     116 D ASP116:A 0.327 4 168/173 A,D,E,F,G,H,K,L,M,N,P,Q,R,Y
129     117 A ALA117:A 0.477 4 168/173 A,E,G,H,I,K,L,M,N,P,Q,R,S,T,V
130     118 E GLU118:A 0.396 4 168/173 A,D,E,H,K,L,N,P,Q,R,S,T,V,Y
131     119 V VAL119:A 0.388 4 167/173 A,D,E,F,H,I,L,P,Q,R,S,T,V,Y
132     120 E GLU120:A 0.500 3 167/173 A,D,E,G,H,K,N,P,Q,R,S,T,V,W
133     121 G GLY121:A -0.724 7 164/173 A,C,D,E,F,G,N,Q,R,S
134     122 D ASP122:A -1.243 9 165/173 A,C,D,N,S
135     123 T THR123:A -0.711 7 165/173 A,D,I,R,S,T,V
136     124 H HIS124:A 0.799 2 164/173 A,D,E,F,G,H,K,L,N,P,Q,R,T,V,Y
137     125 F PHE125:A -0.696 7 164/173 A,D,F,H,I,L,M,V,Y
138     126 P PRO126:A -0.815 8 164/173 A,D,E,F,G,K,M,P,V
139     127 D ASP127:A 1.872 1 162/173 A,D,E,F,G,H,I,K,L,M,N,P,Q,R,S,T,V
140     128 Y TYR128:A 0.420 4 161/173 A,D,E,F,I,K,L,M,P,S,T,V,W,Y
141     129 E GLU129:A -0.007 5 150/173 A,D,E,F,G,K,L,N,P,R,T,V
142     130 P PRO130:A 2.079 1 144/173 A,D,E,F,G,I,K,L,M,P,R,S,T,W,Y
143     131 D ASP131:A 0.942 2 140/173 A,D,E,F,G,H,K,L,M,N,P,Q,R,S,T,V
144     132 D ASP132:A 1.796 1 142/173 A,D,E,F,G,H,I,K,L,N,P,Q,R,S,T,V,Y
145     133 W TRP133:A 0.499 3 142/173 A,D,F,I,K,L,M,R,S,W,Y
146     134 E GLU134:A 0.806 2 160/173 A,E,H,I,K,L,M,N,P,Q,R,S,T,V
147     135 S SER135:A 1.641 1 154/173 C,D,E,G,I,K,L,M,N,P,Q,R,S,T,V,W
148     136 V VAL136:A -0.029 5 155/173 A,D,E,F,G,I,K,L,M,N,Q,R,S,T,V,W,Y
149     137 F PHE137:A 1.006 2 146/173 A,C,D,E,F,G,I,K,L,M,P,Q,R,S,T,V,W,Y
150     138 S SER138:A 1.260 1 147/173 D,E,G,K,N,Q,R,S,T,V,W
151     139 E GLU139:A 0.426 4 156/173 A,C,D,E,G,H,K,L,P,Q,S,T,V,Y
152     140 F PHE140:A 4.597 1 151/173 A,D,E,F,G,H,I,K,L,M,P,Q,S,T,V,W,Y
153     141 H HIS141:A 0.489 3 146/173 A,D,E,F,G,H,I,K,L,M,N,P,Q,R,S,T,V,W,Y
154     142 D ASP142:A 1.710 1 136/173 A,D,E,G,H,I,K,L,N,P,Q,R,S,T,V,W,Y
155     143 A ALA143:A 0.330 4 140/173 A,C,D,E,G,H,I,K,L,P,Q,R,S,T,V
156     144 D ASP144:A 0.136 5 146/173 A,D,E,F,G,I,K,L,N,Q,S,T,V,Y
157     145 A ALA145:A 0.778 3 148/173 A,C,D,E,F,G,H,I,K,L,N,Q,R,S,T,V,Y
158     146 Q GLN146:A 0.845 2 155/173 A,D,E,G,H,I,K,L,M,N,P,Q,R,S,T,V,Y
159     147 N ASN147:A -0.367 6 155/173 A,C,D,E,G,H,I,K,L,N,Q,S,T,Y
160     148 S SER148:A 1.307 1 154/173 A,D,E,F,G,H,K,L,N,P,Q,R,S,T,V,W,Y
161     149 H HIS149:A 0.376 4 151/173 A,D,E,F,G,H,I,K,L,N,P,R,S,T,V,Y
162     150 S SER150:A 1.041 2 154/173 A,D,E,F,G,I,K,N,P,Q,R,S,T,W,Y
163     151 Y TYR151:A 0.557 3 154/173 A,C,E,F,H,I,L,M,S,T,V,W,Y
164     152 C CYS152:A 1.525 1 149/173 A,C,D,E,F,G,H,I,K,L,N,Q,R,S,T,V,Y
165     153 F PHE153:A -0.371 6 150/173 E,F,H,I,K,L,M,S,T,V,Y
166     154 K LYS154:A 1.346 1 150/173 D,E,F,G,H,I,K,L,M,N,Q,R,S,T,V,W,Y
167     155 I ILE155:A 0.448 4 148/173 D,E,F,G,H,I,K,L,M,S,T,V,Y
168     156 L LEU156:A 0.926 2 147/173 F,I,L,N,P,R,V,W,Y
169     157 E GLU157:A 0.957 2 130/173 A,C,E,G,I,K,L,P,Q,R,S,T,V,Y
170     158 R ARG158:A -0.933 8 127/173 G,H,K,P,R
171     159 R ARG159:A -0.360 6 69/173 H,K,Q,R,S