==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-MAR-09 3GTH . COMPND 2 MOLECULE: ORGANOPHOSPHORUS HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR R.HAWWA,S.LARSEN,K.RATIA,A.MESECAR . 331 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 18 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 0 2 2 1 1 1 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 92 A G 0 0 131 0, 0.0 2,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-137.3 0.2 -36.8 -2.8 2 93 A D - 0 0 63 203,-0.0 3,-0.0 227,-0.0 0, 0.0 -0.814 360.0-175.5-100.4 99.1 -0.1 -37.2 1.0 3 94 A A - 0 0 71 -2,-0.9 203,-0.2 1,-0.1 2,-0.1 -0.614 38.5 -85.4 -93.8 154.0 -2.6 -34.7 2.2 4 95 A P - 0 0 47 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.366 47.3-161.2 -57.8 124.9 -3.5 -34.1 5.9 5 96 A G + 0 0 56 -2,-0.1 2,-0.3 -3,-0.0 201,-0.1 -0.932 46.4 22.6-120.4 115.0 -6.2 -36.5 6.9 6 97 A G S S+ 0 0 64 -2,-0.6 170,-0.1 171,-0.1 169,-0.1 -0.939 102.4 2.7 138.7-159.9 -8.4 -36.0 10.0 7 98 A A S S- 0 0 46 168,-0.7 2,-0.3 -2,-0.3 170,-0.2 -0.156 70.8-171.3 -53.0 157.2 -9.6 -33.1 12.2 8 99 A H - 0 0 109 168,-0.2 2,-0.3 170,-0.0 170,-0.2 -0.963 24.2-176.8-161.2 142.3 -8.3 -29.7 10.8 9 101 A M - 0 0 50 -2,-0.3 3,-0.1 168,-0.1 168,-0.0 -0.970 41.9-100.4-132.4 144.4 -8.0 -26.0 11.7 10 102 A T - 0 0 52 -2,-0.3 9,-0.1 1,-0.2 321,-0.1 -0.316 61.5 -70.1 -64.6 152.8 -6.6 -23.3 9.4 11 103 A A E -A 18 0A 4 320,-1.2 7,-2.4 7,-0.5 2,-0.6 -0.131 51.2-147.8 -45.2 124.4 -3.0 -22.2 10.2 12 104 A Q E +A 17 0A 25 5,-0.2 88,-0.3 318,-0.2 2,-0.2 -0.905 19.5 179.1-102.2 122.3 -2.9 -20.2 13.5 13 105 A T E > -A 16 0A 4 3,-1.9 3,-2.3 -2,-0.6 133,-0.4 -0.669 48.7 -95.9-111.0 170.5 -0.3 -17.5 13.6 14 106 A V T 3 S+ 0 0 3 84,-3.6 85,-0.1 1,-0.3 3,-0.1 0.589 128.2 47.0 -67.0 -5.1 0.2 -15.2 16.6 15 107 A T T 3 S- 0 0 68 1,-0.4 -1,-0.3 83,-0.3 2,-0.2 0.303 124.1 -86.6-116.5 7.7 -2.0 -12.7 14.8 16 108 A G E < -A 13 0A 25 -3,-2.3 -3,-1.9 130,-0.1 -1,-0.4 -0.628 68.8 -15.7 121.3-179.2 -4.7 -15.1 13.8 17 109 A A E -A 12 0A 64 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.319 53.8-172.7 -63.4 139.5 -5.9 -17.6 11.2 18 110 A V E -A 11 0A 7 -7,-2.4 -7,-0.5 313,-0.1 5,-0.1 -1.000 26.0-113.6-136.2 136.8 -4.1 -17.5 7.9 19 111 A A > - 0 0 42 -2,-0.4 3,-2.3 -9,-0.1 4,-0.4 -0.355 27.5-118.6 -65.7 145.0 -5.0 -19.5 4.7 20 112 A A G > S+ 0 0 34 311,-0.4 3,-1.3 1,-0.3 4,-0.4 0.846 115.5 57.8 -53.7 -35.3 -2.5 -22.1 3.6 21 113 A A G 3 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.695 101.2 57.2 -69.8 -17.3 -2.0 -20.2 0.4 22 114 A Q G < S+ 0 0 108 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.415 82.0 83.6 -96.3 5.1 -1.0 -17.1 2.3 23 115 A L < + 0 0 0 -3,-1.3 47,-0.3 -4,-0.4 -1,-0.2 0.895 68.6 175.6 -72.6 -38.4 1.9 -18.7 4.2 24 116 A G - 0 0 15 -4,-0.4 45,-0.1 -3,-0.3 -1,-0.1 -0.208 53.1 -2.7 65.0-159.6 4.3 -18.2 1.2 25 117 A A E S-b 69 0B 21 43,-0.8 45,-2.2 301,-0.1 46,-2.0 -0.441 82.9-168.0 -65.3 138.9 8.0 -19.1 1.6 26 118 A T E -b 71 0B 4 296,-2.2 243,-0.3 43,-0.2 46,-0.2 -0.952 32.7-144.9-135.8 145.0 8.5 -20.2 5.2 27 119 A L E -b 72 0B 4 44,-2.2 46,-2.5 -2,-0.3 3,-0.2 -0.975 22.3-160.6-106.5 111.4 11.3 -21.0 7.6 28 120 A P E S+ 0 0 1 0, 0.0 2,-0.2 0, 0.0 242,-0.1 0.492 73.4 35.6 -74.5 -5.3 9.8 -24.0 9.6 29 121 A H E S+ 0 0 0 240,-0.2 243,-1.9 45,-0.1 242,-0.4 -0.663 74.1 122.5-157.3 96.0 12.1 -23.7 12.6 30 122 A E E -b 74 0B 0 43,-2.2 45,-2.0 -3,-0.2 2,-0.4 -0.880 44.2-133.1-140.9 172.2 13.5 -20.5 14.1 31 123 A H E -d 274 0C 1 242,-1.7 244,-2.5 -2,-0.3 245,-0.4 -0.908 8.5-170.9-136.6 109.5 13.5 -18.6 17.4 32 124 A V E S+ 0 0 0 -2,-0.4 244,-1.9 1,-0.2 2,-0.3 0.984 88.4 3.7 -60.6 -57.2 12.7 -14.9 17.5 33 125 A I E S+d 276 0C 5 242,-0.2 2,-0.3 241,-0.1 -1,-0.2 -0.923 78.9 172.0-126.1 154.4 13.8 -14.9 21.2 34 126 A F E +d 277 0C 7 242,-1.6 244,-2.9 -2,-0.3 2,-0.3 -0.959 11.9 179.1-162.8 143.7 15.2 -17.8 23.1 35 127 A G - 0 0 0 45,-2.6 47,-0.1 -2,-0.3 244,-0.1 -0.989 31.7-116.9-148.4 136.6 16.8 -18.6 26.4 36 128 A Y > - 0 0 134 -2,-0.3 3,-2.7 242,-0.3 4,-0.2 -0.430 55.1 -81.0 -67.7 144.9 18.0 -21.7 27.9 37 129 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 43,-0.1 -0.298 122.6 37.1 -52.3 118.7 16.1 -22.8 31.1 38 130 A G T >> S+ 0 0 56 -3,-0.1 3,-1.1 -2,-0.1 4,-0.5 -0.012 79.1 111.8 124.3 -21.6 17.5 -20.8 34.0 39 131 A Y G X4 S+ 0 0 75 -3,-2.7 3,-1.7 1,-0.3 7,-0.1 0.853 75.0 58.0 -48.6 -37.2 18.0 -17.7 32.0 40 132 A A G >4 S+ 0 0 59 1,-0.3 3,-1.5 -4,-0.2 -1,-0.3 0.867 95.6 61.2 -67.1 -34.3 15.2 -16.1 34.1 41 133 A G G <4 S+ 0 0 76 -3,-1.1 -1,-0.3 1,-0.3 3,-0.3 0.631 100.1 58.1 -65.3 -8.3 17.1 -16.8 37.3 42 134 A D G - 0 0 95 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 -0.815 14.3-174.4 -96.2 94.7 15.6 -5.1 27.0 50 142 A H H > S+ 0 0 73 -2,-1.1 4,-2.7 1,-0.2 5,-0.2 0.867 77.9 51.2 -60.4 -38.3 12.2 -5.1 25.2 51 143 A A H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.946 114.9 42.4 -66.8 -46.5 12.9 -2.0 23.2 52 144 A A H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.888 114.9 50.0 -65.5 -40.2 16.2 -3.3 21.8 53 145 A A H X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 5,-0.3 0.951 112.3 48.4 -65.0 -44.2 14.8 -6.8 21.3 54 146 A L H X S+ 0 0 41 -4,-2.7 4,-2.4 -5,-0.2 5,-0.3 0.916 112.8 47.9 -62.4 -39.7 11.8 -5.4 19.4 55 147 A A H X S+ 0 0 57 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.940 117.4 41.4 -64.9 -48.0 14.1 -3.2 17.2 56 148 A S H X S+ 0 0 43 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.924 115.1 49.4 -66.7 -45.8 16.4 -6.0 16.4 57 149 A C H X S+ 0 0 0 -4,-3.4 4,-2.9 -5,-0.3 -2,-0.2 0.933 111.3 48.4 -64.1 -43.4 13.8 -8.6 15.9 58 150 A T H X S+ 0 0 6 -4,-2.4 4,-3.3 -5,-0.3 -1,-0.2 0.861 108.5 55.0 -66.3 -34.0 11.7 -6.5 13.6 59 151 A E H X S+ 0 0 127 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.945 110.2 45.4 -63.9 -43.2 14.8 -5.6 11.6 60 152 A T H X S+ 0 0 31 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.942 112.1 53.2 -63.5 -42.2 15.4 -9.3 11.1 61 153 A A H >X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 3,-0.6 0.959 108.5 49.3 -54.8 -52.4 11.8 -9.7 10.3 62 154 A R H 3X S+ 0 0 133 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.842 108.5 53.1 -56.1 -35.8 12.0 -7.0 7.6 63 155 A A H 3X S+ 0 0 27 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.805 107.9 51.5 -70.7 -30.2 15.2 -8.6 6.1 64 156 A L H X<>S+ 0 0 0 -4,-1.7 5,-2.3 -3,-0.6 3,-0.7 0.912 109.1 49.3 -71.7 -42.8 13.3 -11.9 5.7 65 157 A L H ><5S+ 0 0 54 -4,-2.2 3,-3.5 1,-0.3 -2,-0.2 0.928 102.8 62.0 -61.8 -40.2 10.4 -10.3 4.0 66 158 A A H 3<5S+ 0 0 83 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.850 105.4 49.4 -55.7 -27.1 13.0 -8.6 1.7 67 159 A R T <<5S- 0 0 91 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.404 125.0-104.1 -94.3 7.9 13.8 -12.1 0.7 68 160 A G T < 5S+ 0 0 40 -3,-3.5 -43,-0.8 1,-0.3 2,-0.7 0.530 74.4 140.9 85.5 3.5 10.3 -13.2 0.1 69 161 A I E < +b 25 0B 9 -5,-2.3 -1,-0.3 1,-0.2 -43,-0.2 -0.742 20.3 172.5 -81.6 116.1 10.0 -15.2 3.3 70 162 A Q E + 0 0 96 -45,-2.2 27,-2.6 -2,-0.7 2,-0.4 0.644 58.1 44.9 -98.2 -18.7 6.5 -14.4 4.5 71 163 A T E -bc 26 97B 1 -46,-2.0 -44,-2.2 25,-0.2 2,-0.4 -0.967 52.0-174.9-139.4 139.5 6.4 -16.9 7.3 72 164 A V E -bc 27 98B 0 25,-2.8 27,-2.0 -2,-0.4 2,-0.7 -0.966 16.8-146.7-124.9 139.5 8.4 -18.0 10.2 73 165 A V E - c 0 99B 0 -46,-2.5 -43,-2.2 -2,-0.4 2,-0.7 -0.925 14.4-149.8-107.5 112.3 7.6 -20.9 12.6 74 166 A D E -b 30 0B 1 25,-2.8 27,-0.5 -2,-0.7 -43,-0.2 -0.716 11.5-172.1 -84.1 115.4 8.9 -20.2 16.0 75 167 A A + 0 0 0 -45,-2.0 -44,-0.1 -2,-0.7 -1,-0.1 0.079 29.0 145.8 -96.3 19.7 9.8 -23.5 17.7 76 168 A T - 0 0 1 -46,-0.3 25,-0.3 -43,-0.1 5,-0.1 -0.461 46.7-128.0 -69.1 122.4 10.5 -22.1 21.1 77 169 A P > > - 0 0 0 0, 0.0 3,-2.4 0, 0.0 5,-1.1 -0.240 27.5-104.2 -65.3 152.1 9.5 -24.5 24.0 78 170 A N T 3 5S+ 0 0 30 25,-3.8 3,-0.3 1,-0.3 26,-0.2 0.707 121.0 43.2 -51.9 -29.3 7.3 -23.2 26.7 79 171 A G T 3 5S+ 0 0 23 24,-0.3 -1,-0.3 1,-0.2 25,-0.1 0.201 98.9 73.5-105.0 18.1 10.2 -23.1 29.2 80 172 A C T < 5S- 0 0 0 -3,-2.4 -45,-2.6 -43,-0.1 -1,-0.2 -0.043 126.0 -69.5-118.2 27.7 12.8 -21.6 26.8 81 173 A G T 5 + 0 0 4 -3,-0.3 -3,-0.1 -47,-0.2 -2,-0.1 0.510 69.2 174.1 100.8 4.7 11.6 -18.0 26.6 82 174 A R < + 0 0 41 -5,-1.1 -1,-0.2 -47,-0.1 -48,-0.1 -0.193 0.6 172.1 -48.7 131.5 8.4 -18.5 24.6 83 175 A N >> + 0 0 59 -50,-0.1 4,-2.3 1,-0.1 3,-0.6 -0.696 14.4 179.3-147.5 83.5 6.6 -15.2 24.5 84 176 A P H 3> S+ 0 0 10 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.872 83.9 56.7 -54.1 -39.9 3.5 -15.2 22.2 85 177 A A H 3> S+ 0 0 41 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.872 108.3 46.9 -62.8 -36.2 2.8 -11.5 23.0 86 178 A F H <> S+ 0 0 1 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.920 110.3 51.7 -72.7 -43.0 6.2 -10.4 21.9 87 179 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.908 108.2 52.9 -59.0 -37.5 6.0 -12.5 18.7 88 180 A R H X S+ 0 0 82 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.910 108.3 52.0 -64.6 -36.5 2.6 -10.8 18.0 89 181 A E H X S+ 0 0 68 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.963 110.4 46.0 -59.4 -54.1 4.4 -7.5 18.5 90 182 A V H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 6,-0.4 0.837 116.3 47.7 -59.1 -34.3 7.1 -8.4 16.0 91 183 A S H X S+ 0 0 6 -4,-2.5 4,-3.0 -5,-0.2 5,-0.3 0.915 111.3 46.4 -73.7 -50.3 4.5 -9.6 13.6 92 184 A E H < S+ 0 0 131 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.843 113.1 52.6 -63.7 -29.6 2.1 -6.7 13.7 93 185 A A H < S+ 0 0 68 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.900 125.8 19.1 -73.4 -39.2 5.0 -4.3 13.4 94 186 A T H < S- 0 0 25 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.741 92.6-120.2-105.6 -26.7 6.5 -5.9 10.2 95 187 A G < + 0 0 51 -4,-3.0 2,-0.4 1,-0.4 -4,-0.1 0.450 64.8 140.4 96.8 -2.7 3.8 -8.1 8.5 96 188 A L - 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