==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 23-MAR-09 3GPK . COMPND 2 MOLECULE: PPIC-TYPE PEPTIDYL-PROLYL CIS-TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NOVOSPHINGOBIUM AROMATICIVORANS; . AUTHOR L.SATYANARAYANA,S.ESWARAMOORTHY,S.K.BURLEY,S.SWAMINATHAN,NEW . 216 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11932.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 71.8 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 22.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 12 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 3 1 0 0 0 0 0 0 2 0 0 0 0 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 . 0 0 1 1 2 0 0 0 0 2 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 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 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 1 207 A T 0 0 69 0, 0.0 99,-0.0 0, 0.0 148,-0.0 0.000 360.0 360.0 360.0 2.5 33.0 2.2 15.6 2 208 A E - 0 0 62 99,-0.1 2,-0.4 97,-0.0 60,-0.3 -0.255 360.0-166.1 -63.4 143.7 29.6 0.9 14.6 3 209 A E E -A 100 0A 49 97,-2.6 97,-2.0 58,-0.1 2,-0.4 -0.950 8.2-151.8-126.4 147.1 28.9 0.1 10.9 4 210 A Y E -AB 99 60A 8 56,-2.8 56,-2.7 -2,-0.4 2,-0.8 -0.977 14.1-149.6-128.6 135.6 25.4 -0.5 9.6 5 211 A R E -AB 98 59A 64 93,-2.5 93,-1.6 -2,-0.4 92,-1.4 -0.905 36.9-178.5 -99.3 109.3 24.1 -2.5 6.7 6 212 A I E -A 96 0A 0 52,-1.3 51,-3.0 -2,-0.8 2,-0.4 -0.891 25.7-152.3-119.2 143.9 21.0 -0.5 5.8 7 213 A G E -AB 95 56A 0 88,-2.6 88,-1.9 -2,-0.4 2,-0.4 -0.884 21.3-167.2-106.9 140.4 18.3 -0.9 3.2 8 214 A E E -A 94 0A 26 47,-2.3 2,-0.5 -2,-0.4 86,-0.2 -0.993 21.1-169.6-136.1 139.9 16.6 2.2 1.9 9 215 A I E -A 93 0A 0 84,-1.9 84,-2.0 -2,-0.4 2,-0.5 -0.990 21.0-165.1-122.0 115.4 13.5 3.1 -0.2 10 216 A F E -A 92 0A 33 -2,-0.5 37,-2.9 82,-0.2 2,-0.5 -0.900 10.8-171.1-108.8 131.9 13.5 6.7 -1.2 11 217 A L E -A 91 0A 7 80,-3.0 80,-2.5 -2,-0.5 2,-0.1 -0.971 19.3-140.8-121.8 114.6 10.5 8.6 -2.5 12 218 A A E +A 90 0A 41 -2,-0.5 2,-0.3 78,-0.2 78,-0.3 -0.434 27.3 168.7 -74.4 146.2 11.2 12.1 -3.8 13 219 A A - 0 0 13 76,-2.5 2,-0.1 -2,-0.1 5,-0.1 -0.932 32.1-130.7-161.3 135.0 8.7 14.9 -3.2 14 220 A T >> - 0 0 74 -2,-0.3 4,-1.2 1,-0.1 3,-0.7 -0.396 45.2-101.1 -75.3 163.0 8.6 18.6 -3.5 15 221 A E G >4 S+ 0 0 107 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.888 125.3 54.4 -54.6 -38.0 7.4 20.4 -0.4 16 222 A E G 34 S+ 0 0 158 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.832 114.0 39.7 -64.3 -34.9 4.0 20.8 -2.0 17 223 A N G <> S+ 0 0 90 -3,-0.7 4,-2.6 1,-0.2 3,-0.3 0.468 87.8 98.9 -94.7 -2.4 3.7 17.0 -2.7 18 224 A K H S+ 0 0 96 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.921 114.1 45.2 -57.3 -39.7 2.0 15.0 2.4 20 226 A Q H > S+ 0 0 117 -3,-0.3 4,-1.7 -4,-0.2 -2,-0.2 0.914 114.2 47.1 -67.7 -44.2 0.8 12.9 -0.6 21 227 A V H X S+ 0 0 17 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.855 107.5 57.6 -67.7 -32.6 4.1 11.1 -0.9 22 228 A F H X S+ 0 0 86 -4,-3.0 4,-2.7 -5,-0.3 -1,-0.2 0.906 105.4 51.4 -61.6 -39.8 4.2 10.5 2.8 23 229 A A H X S+ 0 0 44 -4,-1.5 4,-1.8 -5,-0.3 -1,-0.2 0.905 109.9 48.6 -62.7 -41.8 0.9 8.7 2.4 24 230 A N H X S+ 0 0 74 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.914 112.6 48.5 -64.3 -43.3 2.4 6.6 -0.4 25 231 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.887 107.9 54.1 -64.5 -41.0 5.4 5.8 1.7 26 232 A E H X S+ 0 0 82 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.881 105.1 53.8 -63.3 -37.6 3.3 4.8 4.8 27 233 A K H X S+ 0 0 135 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.880 109.4 49.4 -63.9 -35.1 1.3 2.4 2.7 28 234 A I H X S+ 0 0 7 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.927 108.9 51.3 -68.7 -43.8 4.6 0.8 1.7 29 235 A V H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.913 107.8 54.4 -58.6 -41.4 5.8 0.6 5.3 30 236 A E H X S+ 0 0 77 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.923 109.2 46.7 -58.3 -46.3 2.5 -1.1 6.1 31 237 A Q H <>S+ 0 0 79 -4,-1.9 5,-2.8 2,-0.2 -1,-0.2 0.870 113.6 48.9 -64.3 -37.1 3.1 -3.8 3.5 32 238 A L H ><5S+ 0 0 11 -4,-2.3 3,-1.7 3,-0.2 -2,-0.2 0.923 108.8 51.4 -69.3 -44.6 6.7 -4.3 4.7 33 239 A K H 3<5S+ 0 0 132 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.807 108.3 54.2 -62.5 -27.7 5.7 -4.6 8.3 34 240 A Q T 3<5S- 0 0 136 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.433 136.8 -78.4 -86.9 0.5 3.1 -7.2 7.3 35 241 A G T < 5S+ 0 0 67 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.369 76.1 150.2 124.6 -6.8 5.7 -9.3 5.5 36 242 A G < - 0 0 27 -5,-2.8 2,-0.4 -6,-0.1 -1,-0.2 -0.192 55.0 -99.6 -60.6 149.7 6.5 -7.8 2.1 37 243 A S > - 0 0 67 1,-0.2 4,-2.4 2,-0.0 5,-0.2 -0.558 22.4-151.8 -71.9 122.4 10.0 -8.2 0.6 38 244 A F H > S+ 0 0 19 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.904 98.0 52.4 -60.4 -42.1 12.1 -5.1 1.2 39 245 A V H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 109.5 48.6 -59.6 -45.3 14.0 -5.9 -2.0 40 246 A A H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.928 114.3 44.3 -62.8 -46.8 10.8 -6.2 -4.1 41 247 A Y H X S+ 0 0 56 -4,-2.4 4,-3.1 2,-0.2 5,-0.5 0.873 113.0 52.3 -67.4 -35.4 9.3 -2.9 -2.8 42 248 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.925 109.2 49.2 -66.1 -44.1 12.7 -1.1 -3.2 43 249 A R H < S+ 0 0 158 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.876 118.6 40.4 -63.0 -35.3 13.0 -2.2 -6.8 44 250 A Q H < S+ 0 0 132 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.893 132.1 17.6 -80.2 -41.3 9.4 -1.1 -7.5 45 251 A Y H < S+ 0 0 101 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.710 87.9 107.5-108.9 -24.2 9.3 2.2 -5.6 46 252 A S < - 0 0 13 -4,-2.0 -35,-0.2 -5,-0.5 5,-0.1 -0.367 42.0-167.3 -66.0 135.5 12.7 3.5 -4.7 47 253 A E + 0 0 115 -37,-2.9 2,-0.2 -2,-0.1 -1,-0.1 0.246 59.2 100.3-102.0 9.7 13.8 6.5 -6.6 48 254 A A S > S- 0 0 26 -38,-0.2 3,-1.9 -40,-0.1 4,-0.2 -0.572 88.7-110.1 -91.6 159.7 17.4 6.3 -5.5 49 255 A S T 3 S+ 0 0 126 1,-0.3 3,-0.4 -2,-0.2 4,-0.2 0.622 115.4 66.8 -64.4 -13.5 20.1 4.8 -7.7 50 256 A T T > >S+ 0 0 31 1,-0.2 5,-2.5 2,-0.1 3,-0.8 0.392 70.4 98.6 -88.7 2.9 20.2 1.8 -5.3 51 257 A A G X 5S+ 0 0 15 -3,-1.9 3,-2.0 1,-0.2 -1,-0.2 0.915 76.0 58.1 -55.6 -46.0 16.7 0.7 -6.3 52 258 A A G 3 5S+ 0 0 77 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.800 105.2 50.7 -56.2 -32.3 18.1 -1.9 -8.7 53 259 A V G X 5S- 0 0 90 -3,-0.8 3,-1.0 -4,-0.2 -1,-0.3 0.068 127.6 -94.9 -95.5 25.2 20.0 -3.6 -5.9 54 260 A G T < 5S- 0 0 2 -3,-2.0 -3,-0.2 1,-0.2 -12,-0.2 0.718 70.7 -69.5 72.9 18.5 17.0 -3.8 -3.5 55 261 A G T 3 - 0 0 88 -2,-0.3 3,-2.5 -58,-0.2 4,-0.3 -0.811 34.6-115.4-101.5 146.7 29.0 4.7 8.8 62 268 A L G > S+ 0 0 6 -2,-0.3 3,-1.7 -60,-0.3 131,-0.1 0.776 111.9 68.7 -54.2 -29.3 26.2 7.1 10.1 63 269 A A G 3 S+ 0 0 12 1,-0.3 -1,-0.3 129,-0.1 130,-0.1 0.678 89.9 64.9 -64.9 -15.1 28.1 10.1 8.9 64 270 A Q G < S+ 0 0 65 -3,-2.5 -1,-0.3 82,-0.1 -2,-0.2 0.654 94.3 74.2 -80.9 -15.3 27.4 9.0 5.4 65 271 A L S < S- 0 0 10 -3,-1.7 2,-0.0 -4,-0.3 6,-0.0 -0.655 94.1-100.7 -98.0 154.1 23.7 9.5 6.0 66 272 A P >> - 0 0 45 0, 0.0 4,-2.8 0, 0.0 3,-0.8 -0.385 45.4-101.0 -68.0 154.1 21.8 12.8 6.1 67 273 A T H 3> S+ 0 0 40 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.845 120.2 54.8 -42.1 -50.4 21.1 13.9 9.7 68 274 A E H 3> S+ 0 0 64 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.881 116.6 36.9 -55.4 -43.5 17.4 12.8 9.7 69 275 A L H <> S+ 0 0 2 -3,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.835 114.7 55.1 -80.0 -33.1 18.4 9.2 8.6 70 276 A A H X S+ 0 0 1 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.929 109.9 45.9 -64.6 -46.4 21.6 9.0 10.7 71 277 A T H X S+ 0 0 42 -4,-2.9 4,-0.6 -5,-0.2 -1,-0.2 0.803 114.6 49.1 -68.4 -27.4 19.7 9.9 13.9 72 278 A T H >X S+ 0 0 36 -4,-0.9 3,-0.9 -5,-0.3 4,-0.7 0.928 111.1 48.5 -74.9 -46.7 17.0 7.4 13.0 73 279 A A H >< S+ 0 0 0 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.839 102.5 63.5 -61.3 -36.0 19.4 4.6 12.3 74 280 A A H 3< S+ 0 0 27 -4,-2.0 -1,-0.2 116,-0.3 -2,-0.2 0.782 108.9 40.3 -61.7 -27.8 21.3 5.2 15.5 75 281 A S H << S+ 0 0 106 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.518 92.1 111.3 -98.9 -7.8 18.3 4.2 17.6 76 282 A X << - 0 0 17 -4,-0.7 6,-0.1 -3,-0.7 3,-0.1 -0.350 61.0-134.7 -71.2 147.3 17.1 1.3 15.4 77 283 A G > - 0 0 18 1,-0.1 3,-1.5 4,-0.1 19,-0.3 -0.684 41.8 -82.6 -94.7 154.1 17.2 -2.3 16.6 78 284 A P T 3 S+ 0 0 99 0, 0.0 19,-0.2 0, 0.0 -1,-0.1 -0.243 112.7 16.0 -59.2 141.1 18.5 -5.0 14.2 79 285 A G T 3 S+ 0 0 45 17,-2.9 2,-0.2 1,-0.3 18,-0.1 0.541 98.9 125.1 75.9 7.3 16.0 -6.3 11.7 80 286 A Q < - 0 0 111 -3,-1.5 16,-2.3 16,-0.2 2,-0.3 -0.613 54.5-133.2 -99.9 160.9 13.6 -3.5 12.2 81 287 A L E -C 95 0A 30 14,-0.2 2,-0.3 -2,-0.2 14,-0.2 -0.799 21.5-168.5-106.2 150.5 12.0 -1.0 9.7 82 288 A A E -C 94 0A 16 12,-2.4 12,-2.7 -2,-0.3 3,-0.2 -0.992 25.2 -35.0-141.1 147.7 11.8 2.7 10.3 83 289 A G E - 0 0 33 1,-0.3 10,-0.2 -2,-0.3 2,-0.1 -0.629 35.7-117.6 114.6-172.9 10.0 5.6 8.7 84 290 A P E - 0 0 17 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.393 60.3-173.2 -65.5 140.9 8.9 7.1 6.6 85 291 A V E -C 92 0A 22 7,-3.0 7,-2.2 -3,-0.2 2,-0.2 -0.938 20.3-127.4-110.2 124.7 11.5 9.7 7.6 86 292 A E E +C 91 0A 94 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.482 32.9 171.0 -72.6 137.5 11.3 13.1 6.0 87 293 A I E > -C 90 0A 22 3,-2.8 3,-1.4 -2,-0.2 0, 0.0 -0.840 51.4 -85.5-133.9 171.8 14.6 14.4 4.5 88 294 A R T 3 S+ 0 0 196 -2,-0.3 -75,-0.0 1,-0.3 -73,-0.0 0.887 125.4 36.3 -48.8 -47.8 15.1 17.5 2.3 89 295 A G T 3 S- 0 0 38 -77,-0.1 -76,-2.5 -75,-0.0 2,-0.3 0.377 128.6 -64.6 -91.6 5.9 14.2 15.8 -1.0 90 296 A G E < S-AC 12 87A 0 -3,-1.4 -3,-2.8 -78,-0.3 2,-0.3 -0.958 73.3 -39.8 155.8-134.6 11.4 13.5 0.2 91 297 A F E -AC 11 86A 13 -80,-2.5 -80,-3.0 -2,-0.3 2,-0.3 -0.981 38.5-159.7-136.5 146.9 11.0 10.5 2.4 92 298 A S E -AC 10 85A 0 -7,-2.2 -7,-3.0 -2,-0.3 2,-0.5 -0.950 7.6-153.8-128.0 146.9 13.0 7.4 3.2 93 299 A I E -A 9 0A 1 -84,-2.0 -84,-1.9 -2,-0.3 2,-0.3 -0.972 22.3-156.1-114.3 130.2 12.1 4.0 4.7 94 300 A L E -AC 8 82A 0 -12,-2.7 -12,-2.4 -2,-0.5 2,-0.4 -0.828 14.3-167.4-113.5 152.1 15.0 2.3 6.4 95 301 A Y E -AC 7 81A 79 -88,-1.9 -88,-2.6 -2,-0.3 2,-1.4 -0.972 18.1-143.1-136.0 115.6 15.6 -1.4 7.1 96 302 A L E +A 6 0A 0 -16,-2.3 -17,-2.9 -2,-0.4 -16,-0.2 -0.659 27.6 171.1 -83.4 92.8 18.5 -2.3 9.5 97 303 A I E - 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0 0 30 -4,-1.1 60,-0.5 -3,-0.2 2,-0.4 -0.288 60.1-138.3 -59.4 142.2 22.5 16.4 29.6 115 209 B E E -DE 173 212B 46 97,-2.7 97,-2.2 58,-0.1 2,-0.4 -0.878 12.2-155.5-109.2 138.2 25.8 14.7 28.8 116 210 B Y E -DE 172 211B 3 56,-3.3 56,-2.3 -2,-0.4 2,-1.0 -0.926 11.6-151.1-115.9 131.9 27.2 14.4 25.3 117 211 B R E -DE 171 210B 84 93,-2.9 92,-1.9 -2,-0.4 93,-1.3 -0.860 36.1-179.4-100.2 100.6 29.6 11.8 24.0 118 212 B I E - E 0 208B 1 52,-1.1 51,-3.0 -2,-1.0 2,-0.4 -0.818 28.8-153.1-111.5 142.6 31.4 13.8 21.3 119 213 B G E -DE 168 207B 2 88,-2.8 88,-2.4 -2,-0.4 2,-0.4 -0.912 25.6-169.2-105.9 135.4 34.1 13.0 18.8 120 214 B E E - E 0 206B 22 47,-2.2 2,-0.6 -2,-0.4 86,-0.2 -0.986 24.5-166.6-134.4 140.3 36.1 16.1 17.8 121 215 B I E - E 0 205B 0 84,-2.0 84,-2.3 -2,-0.4 2,-0.5 -0.982 21.5-162.7-119.5 112.6 38.6 17.0 15.1 122 216 B F E - E 0 204B 38 -2,-0.6 37,-2.6 82,-0.2 2,-0.6 -0.888 9.6-172.0-103.8 125.5 40.2 20.3 16.0 123 217 B L E - E 0 203B 4 80,-3.4 80,-2.6 -2,-0.5 35,-0.1 -0.940 16.9-146.8-116.3 108.7 42.1 22.3 13.3 124 218 B A E + E 0 202B 35 -2,-0.6 2,-0.3 78,-0.2 78,-0.3 -0.355 20.6 177.5 -73.8 152.9 43.9 25.3 14.8 125 219 B A - 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