==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDE-BINDING PROTEIN 08-FEB-12 4DN0 . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN PELD; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.C.WHITNEY,K.M.COLVIN,L.S.MARMONT,H.ROBINSON,M.R.PARSEK,P.L . 279 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 20 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 0 0 0 0 1 1 0 0 0 1 1 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 0 0 3 1 1 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 . 0 0 1 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 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 1 158 A Q >> 0 0 119 0, 0.0 3,-1.2 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 -38.4 9.9 -6.2 -2.2 2 159 A S H 3> + 0 0 76 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.749 360.0 75.7 -54.4 -21.4 7.1 -8.8 -2.2 3 160 A L H 3> S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.905 85.6 55.8 -57.5 -45.7 7.7 -8.0 1.4 4 161 A R H <> S+ 0 0 108 -3,-1.2 4,-2.9 1,-0.2 5,-0.2 0.948 109.8 44.8 -52.5 -55.3 5.8 -4.7 1.1 5 162 A S H X S+ 0 0 72 -4,-0.9 4,-2.8 2,-0.2 -1,-0.2 0.877 112.0 51.5 -60.3 -44.1 2.6 -6.3 -0.3 6 163 A S H X S+ 0 0 22 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.965 115.0 41.1 -59.4 -54.5 2.6 -9.1 2.2 7 164 A L H X S+ 0 0 2 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.918 116.5 50.0 -59.9 -43.9 2.9 -6.8 5.2 8 165 A L H X S+ 0 0 54 -4,-2.9 4,-1.9 -5,-0.3 -1,-0.2 0.891 111.4 49.0 -62.2 -38.9 0.4 -4.4 3.7 9 166 A G H X S+ 0 0 39 -4,-2.8 4,-1.3 -5,-0.2 -1,-0.2 0.815 113.6 46.5 -71.2 -31.1 -2.0 -7.2 3.0 10 167 A L H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.929 108.1 54.7 -75.5 -46.8 -1.7 -8.5 6.6 11 168 A R H X S+ 0 0 22 -4,-3.2 4,-2.3 1,-0.3 -2,-0.2 0.907 107.5 52.4 -52.5 -43.6 -2.0 -5.0 8.1 12 169 A Q H X S+ 0 0 58 -4,-1.9 4,-1.3 1,-0.2 -1,-0.3 0.914 106.9 51.8 -59.2 -44.1 -5.3 -4.7 6.2 13 170 A L H < S+ 0 0 60 -4,-1.3 3,-0.5 1,-0.2 -2,-0.2 0.918 110.0 50.0 -58.9 -45.7 -6.5 -8.0 7.6 14 171 A L H >< S+ 0 0 31 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.913 109.3 50.7 -54.5 -48.7 -5.7 -6.8 11.1 15 172 A R H 3< S+ 0 0 127 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.703 109.4 51.9 -70.2 -19.8 -7.6 -3.5 10.6 16 173 A E T 3< S+ 0 0 136 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.023 89.4 91.4-112.2 29.7 -10.7 -5.2 9.3 17 174 A L S < S- 0 0 44 -3,-1.2 4,-0.1 4,-0.0 9,-0.0 -0.905 76.6-103.3-119.0 153.6 -11.4 -7.8 12.0 18 175 A P - 0 0 86 0, 0.0 3,-0.2 0, 0.0 -2,-0.1 -0.229 21.7-121.5 -69.0 157.9 -13.6 -7.5 15.2 19 176 A G S S+ 0 0 80 1,-0.2 2,-2.1 3,-0.0 -2,-0.0 0.713 97.2 94.1 -67.8 -19.7 -12.3 -7.0 18.7 20 177 A D S S+ 0 0 97 1,-0.1 -1,-0.2 2,-0.0 2,-0.2 0.017 90.1 38.4 -67.5 34.4 -14.1 -10.2 19.5 21 178 A E S S- 0 0 50 -2,-2.1 -1,-0.1 -3,-0.2 -4,-0.0 -0.713 87.4-110.8 178.8 131.0 -10.9 -12.1 18.8 22 179 A A >> - 0 0 54 -2,-0.2 4,-1.8 1,-0.1 3,-0.8 -0.487 32.6-123.9 -68.0 136.1 -7.1 -11.5 19.5 23 180 A P H 3> S+ 0 0 42 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.863 106.5 57.0 -49.7 -48.7 -5.2 -10.9 16.3 24 181 A L H 3> S+ 0 0 15 1,-0.2 4,-0.5 117,-0.2 7,-0.1 0.874 110.2 44.9 -55.1 -40.4 -2.7 -13.7 16.7 25 182 A D H <4 S+ 0 0 79 -3,-0.8 3,-0.4 2,-0.2 4,-0.3 0.900 115.3 45.3 -71.8 -41.3 -5.4 -16.3 16.9 26 183 A A H < S+ 0 0 47 -4,-1.8 3,-0.3 1,-0.2 4,-0.2 0.857 120.9 38.5 -71.2 -34.1 -7.5 -15.0 14.0 27 184 A L H X S+ 0 0 11 -4,-2.6 4,-3.2 -5,-0.2 5,-0.3 0.331 80.7 108.7-102.9 5.6 -4.5 -14.6 11.7 28 185 A A H X S+ 0 0 2 -4,-0.5 4,-2.6 -3,-0.4 5,-0.2 0.896 82.5 47.4 -47.1 -49.8 -2.5 -17.7 12.7 29 186 A E H > S+ 0 0 123 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.2 0.885 114.3 46.4 -62.4 -42.6 -3.3 -19.4 9.4 30 187 A T H > S+ 0 0 51 -4,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.933 112.6 49.5 -66.0 -48.3 -2.4 -16.3 7.3 31 188 A V H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.937 112.5 47.3 -57.4 -49.2 0.8 -15.7 9.2 32 189 A L H X S+ 0 0 7 -4,-2.6 4,-3.5 -5,-0.3 -1,-0.2 0.908 110.7 53.3 -57.4 -43.6 1.9 -19.3 8.8 33 190 A A H X S+ 0 0 56 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.922 108.3 49.1 -60.1 -47.6 1.1 -19.2 5.2 34 191 A L H X S+ 0 0 30 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.942 114.9 44.3 -53.6 -51.7 3.2 -16.0 4.6 35 192 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 6,-0.3 0.945 110.6 55.0 -61.4 -48.2 6.2 -17.7 6.4 36 193 A A H <>S+ 0 0 15 -4,-3.5 5,-2.2 1,-0.2 -1,-0.2 0.844 110.0 48.0 -50.5 -38.0 5.6 -20.9 4.6 37 194 A Q H ><5S+ 0 0 69 -4,-1.9 3,-0.9 3,-0.2 -1,-0.2 0.919 112.0 46.3 -74.9 -43.2 5.8 -19.1 1.3 38 195 A Y H 3<5S+ 0 0 40 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.854 122.7 35.8 -70.7 -34.2 9.0 -17.1 2.0 39 196 A G T 3<5S- 0 0 1 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.203 103.5-126.9 -99.3 15.0 10.8 -20.1 3.4 40 197 A S T < 5 - 0 0 65 -3,-0.9 -3,-0.2 -5,-0.2 -4,-0.1 0.883 45.5-171.3 38.0 48.6 9.2 -22.6 0.9 41 198 A L < - 0 0 17 -5,-2.2 76,-0.2 -6,-0.3 -1,-0.1 -0.333 27.8-179.3 -73.9 150.8 8.3 -24.5 4.0 42 199 A R S S+ 0 0 45 74,-2.3 2,-0.4 1,-0.3 75,-0.2 0.689 73.6 21.5-118.3 -39.9 6.8 -28.0 3.7 43 200 A I E S+A 116 0A 34 73,-2.3 73,-2.3 21,-0.1 72,-2.1 -0.940 81.7 120.4-136.3 116.7 6.2 -29.1 7.3 44 201 A A E -AB 114 63A 0 19,-1.5 19,-2.9 -2,-0.4 2,-0.3 -0.959 36.8-143.3-159.6 173.5 5.9 -26.6 10.2 45 202 A G E -AB 113 62A 0 68,-1.9 68,-2.8 -2,-0.3 2,-0.5 -0.986 11.4-137.8-145.4 154.4 3.7 -25.1 12.9 46 203 A L E -AB 112 61A 0 15,-3.0 14,-2.8 -2,-0.3 15,-1.3 -0.964 26.0-173.0-116.1 129.4 3.0 -21.8 14.5 47 204 A Y E -A 111 0A 3 64,-2.5 64,-2.6 -2,-0.5 2,-0.2 -0.946 26.0-120.5-127.7 140.0 2.7 -21.5 18.3 48 205 A R E -A 110 0A 54 10,-0.4 8,-3.0 -2,-0.4 2,-0.4 -0.545 29.2-143.3 -66.6 137.9 1.7 -18.9 20.8 49 206 A V B -E 55 0B 10 60,-1.9 2,-0.1 6,-0.3 4,-0.0 -0.908 15.7-128.4-104.9 137.0 4.5 -18.1 23.2 50 207 A R > - 0 0 104 4,-3.7 3,-3.3 -2,-0.4 4,-0.2 -0.401 27.2-101.7 -82.6 160.0 3.6 -17.4 26.9 51 208 A H T 3 S+ 0 0 116 1,-0.3 57,-0.1 2,-0.2 -1,-0.1 0.792 125.3 58.5 -44.8 -32.1 4.7 -14.4 29.0 52 209 A D T 3 S- 0 0 103 2,-0.2 -1,-0.3 1,-0.0 -2,-0.1 0.202 121.2-109.7 -87.8 15.1 7.1 -16.8 30.5 53 210 A R S < S+ 0 0 99 -3,-3.3 -2,-0.2 1,-0.2 27,-0.1 0.814 80.2 122.3 61.1 31.5 8.7 -17.5 27.1 54 211 A T - 0 0 54 -4,-0.2 -4,-3.7 26,-0.0 -1,-0.2 -0.960 61.2-116.5-117.6 147.6 7.4 -21.1 26.9 55 212 A P B -E 49 0B 5 0, 0.0 -6,-0.3 0, 0.0 16,-0.1 -0.509 19.6-114.1 -84.4 146.0 5.2 -22.1 23.9 56 213 A E - 0 0 61 -8,-3.0 -8,-0.2 -2,-0.2 4,-0.1 -0.728 26.4-142.8 -71.3 118.3 1.6 -23.3 24.1 57 214 A P S S+ 0 0 72 0, 0.0 12,-0.4 0, 0.0 -1,-0.2 0.841 83.2 82.0 -52.9 -43.2 1.9 -27.0 23.0 58 215 A Q S S- 0 0 67 10,-0.1 -10,-0.4 1,-0.1 -2,-0.1 -0.583 88.5-127.6 -69.2 118.4 -1.3 -26.8 21.0 59 216 A P - 0 0 60 0, 0.0 -12,-0.2 0, 0.0 3,-0.1 -0.379 7.7-146.9 -69.7 144.7 -0.4 -25.2 17.7 60 217 A L S S- 0 0 30 -14,-2.8 2,-0.3 1,-0.3 -13,-0.2 0.837 86.6 -6.4 -74.4 -36.6 -2.3 -22.2 16.4 61 218 A A E -B 46 0A 4 -15,-1.3 -15,-3.0 -33,-0.1 -1,-0.3 -0.985 67.2-158.6-156.4 152.0 -1.8 -23.5 12.9 62 219 A T E -B 45 0A 69 -2,-0.3 2,-0.4 -17,-0.2 -17,-0.3 -0.901 7.3-150.0-132.2 161.3 0.1 -26.3 11.2 63 220 A L E -B 44 0A 53 -19,-2.9 -19,-1.5 -2,-0.3 -21,-0.1 -0.995 66.8 -23.7-134.0 125.3 1.4 -27.1 7.7 64 221 A G S S- 0 0 52 -2,-0.4 2,-2.0 -21,-0.2 -21,-0.1 -0.223 119.8 -25.0 64.4-162.8 1.7 -30.6 6.5 65 222 A E S S- 0 0 88 -23,-0.1 -1,-0.2 -3,-0.1 -22,-0.1 -0.440 76.9-174.1 -85.6 67.9 2.0 -33.5 9.0 66 223 A M - 0 0 30 -2,-2.0 3,-0.1 -22,-0.2 -2,-0.1 -0.423 16.9-131.6 -68.4 127.9 3.5 -31.5 11.8 67 224 A P - 0 0 57 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.352 37.2 -78.0 -74.2 157.4 4.5 -33.6 14.9 68 225 A V - 0 0 144 1,-0.1 2,-0.4 -2,-0.1 -10,-0.1 -0.253 57.8-109.0 -48.1 137.5 3.6 -32.8 18.5 69 226 A L - 0 0 12 -12,-0.4 2,-0.9 -3,-0.1 -1,-0.1 -0.640 20.2-144.7 -80.1 126.7 5.9 -30.0 19.7 70 227 A D > - 0 0 99 -2,-0.4 3,-1.9 1,-0.2 6,-0.2 -0.809 9.6-166.4 -89.0 103.4 8.6 -31.0 22.2 71 228 A A T 3 S+ 0 0 41 -2,-0.9 -1,-0.2 1,-0.3 -2,-0.0 0.695 87.9 55.7 -64.6 -19.1 8.8 -27.9 24.4 72 229 A D T 3 S+ 0 0 112 4,-0.1 -1,-0.3 -3,-0.1 2,-0.1 0.440 75.0 126.2 -92.5 -4.0 12.0 -29.3 25.9 73 230 A D <> - 0 0 44 -3,-1.9 4,-2.5 1,-0.2 3,-0.3 -0.375 65.7-133.3 -52.0 126.5 13.6 -29.6 22.5 74 231 A L H > S+ 0 0 123 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.835 103.2 56.7 -56.3 -34.3 16.9 -27.7 22.8 75 232 A L H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.927 109.0 44.7 -66.3 -46.2 16.3 -25.8 19.6 76 233 A V H > S+ 0 0 0 -3,-0.3 4,-2.8 -6,-0.2 5,-0.2 0.945 116.6 47.1 -59.1 -48.1 13.0 -24.4 20.8 77 234 A R H X S+ 0 0 106 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.899 112.6 48.0 -65.9 -38.2 14.5 -23.5 24.1 78 235 A T H X S+ 0 0 34 -4,-3.1 4,-2.2 -5,-0.2 6,-0.3 0.896 113.0 49.3 -68.5 -39.7 17.5 -21.9 22.6 79 236 A C H X>S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 5,-1.2 0.933 115.2 43.8 -61.1 -46.7 15.3 -19.9 20.2 80 237 A L H <5S+ 0 0 5 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.762 114.1 48.9 -75.4 -27.6 13.0 -18.8 23.0 81 238 A E H <5S+ 0 0 123 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.915 120.2 36.3 -75.1 -41.8 15.8 -17.9 25.5 82 239 A R H <5S- 0 0 155 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.686 96.3-134.1 -84.0 -21.7 17.8 -15.9 22.9 83 240 A G T <5 + 0 0 20 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.865 69.9 113.3 64.7 36.4 14.8 -14.4 21.1 84 241 A E S - 0 0 69 1,-0.2 3,-1.5 -2,-0.1 -1,-0.1 -0.323 37.3-134.7 -49.4 128.4 23.9 -27.5 12.1 90 247 A Q T 3 S+ 0 0 100 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.789 104.6 64.9 -61.7 -26.8 23.6 -27.9 8.3 91 248 A E T 3 0 0 109 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.776 360.0 360.0 -65.6 -25.4 26.1 -30.8 8.6 92 249 A L < 0 0 115 -3,-1.5 -2,-0.2 0, 0.0 -1,-0.2 0.637 360.0 360.0-114.3 360.0 23.5 -32.7 10.7 93 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 94 260 A A 0 0 104 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 61.7 13.3 -33.4 14.6 95 261 A L - 0 0 19 1,-0.1 20,-0.3 21,-0.0 3,-0.1 -0.396 360.0-169.0 -72.1 144.3 13.1 -29.7 14.1 96 262 A Q S S+ 0 0 56 18,-3.2 -8,-2.8 1,-0.4 2,-0.3 0.759 71.1 3.5-100.7 -34.4 15.4 -28.1 11.5 97 263 A V E -CD 87 114A 0 17,-1.3 17,-3.1 -10,-0.3 2,-0.4 -0.991 54.8-156.7-152.7 144.5 14.8 -24.4 12.4 98 264 A C E -CD 86 113A 0 -12,-3.7 -12,-3.1 -2,-0.3 15,-0.2 -0.993 10.2-172.3-123.2 132.1 13.0 -22.3 14.9 99 265 A V E - D 0 112A 0 13,-2.8 13,-3.2 -2,-0.4 2,-0.2 -0.968 11.1-151.1-126.5 114.9 12.0 -18.7 14.3 100 266 A P E - 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