==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-JUL-06 2HKL . COMPND 2 MOLECULE: L,D-TRANSPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECIUM; . AUTHOR V.DELFOSSE,J.-E.HUGONNET,S.MAGNET,J.-L.MAINARDI,M.ARTHUR, . 744 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 506 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 159 21.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 57 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 3 0 3 1 2 3 0 0 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 9 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 . 3 2 6 14 3 3 1 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 . 11 3 0 6 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 1 217 A K > 0 0 165 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0-148.5 37.4 -36.0 30.9 2 218 A E T 3> + 0 0 141 1,-0.2 4,-0.8 2,-0.1 0, 0.0 0.303 360.0 83.2 -86.7 8.3 34.5 -33.5 31.5 3 219 A Q H 3> S+ 0 0 40 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.791 78.4 60.1 -79.6 -32.6 36.9 -31.1 29.8 4 220 A L H <> S+ 0 0 117 -3,-0.7 4,-2.0 2,-0.2 5,-0.2 0.905 103.7 50.4 -63.7 -40.5 35.9 -32.2 26.3 5 221 A A H > S+ 0 0 73 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.895 111.6 51.1 -62.0 -38.3 32.3 -31.1 27.0 6 222 A S H X S+ 0 0 44 -4,-0.8 4,-3.4 2,-0.2 5,-0.3 0.940 105.8 52.7 -63.0 -50.9 33.8 -27.8 28.1 7 223 A M H X S+ 0 0 39 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.875 111.5 47.4 -54.7 -39.4 35.9 -27.4 25.0 8 224 A N H X S+ 0 0 104 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.926 111.4 50.7 -69.1 -43.0 32.7 -27.8 22.9 9 225 A A H >< S+ 0 0 44 -4,-2.3 3,-1.1 2,-0.2 -2,-0.2 0.969 113.5 45.1 -55.8 -56.2 30.8 -25.4 25.1 10 226 A I H >< S+ 0 0 2 -4,-3.4 3,-2.7 1,-0.3 -2,-0.2 0.931 107.3 58.0 -52.7 -51.6 33.6 -22.8 24.8 11 227 A A H 3< S+ 0 0 11 -4,-2.7 -1,-0.3 1,-0.3 21,-0.2 0.761 110.8 45.8 -51.5 -27.0 33.8 -23.4 21.0 12 228 A N T << S+ 0 0 87 -4,-1.2 -1,-0.3 -3,-1.1 -2,-0.2 0.261 83.5 127.4-102.3 9.9 30.2 -22.4 20.9 13 229 A V < - 0 0 2 -3,-2.7 2,-0.9 -4,-0.1 18,-0.1 -0.360 57.4-135.8 -69.6 147.7 30.3 -19.4 23.1 14 230 A K - 0 0 98 11,-0.0 93,-2.0 2,-0.0 2,-0.8 -0.826 24.4-171.5-105.6 90.4 28.8 -16.1 21.7 15 231 A A E -a 107 0A 0 -2,-0.9 11,-3.2 11,-0.4 2,-0.5 -0.765 7.2-171.6 -86.1 107.8 31.5 -13.6 22.7 16 232 A T E -aB 108 25A 25 91,-3.1 93,-2.7 -2,-0.8 2,-0.3 -0.882 8.9-156.6-110.4 131.8 30.1 -10.1 21.9 17 233 A Y E -aB 109 24A 1 7,-3.1 7,-2.0 -2,-0.5 2,-0.5 -0.786 5.3-163.3-102.9 145.7 32.0 -6.9 22.1 18 234 A S E + B 0 23A 26 91,-2.6 2,-0.4 -2,-0.3 5,-0.2 -0.957 22.5 167.7-127.2 105.6 30.5 -3.4 22.6 19 235 A I E > - B 0 22A 0 3,-2.7 3,-3.0 -2,-0.5 101,-0.2 -0.982 66.2 -21.6-128.8 123.6 33.0 -0.8 21.5 20 236 A N T 3 S- 0 0 40 99,-1.7 103,-0.2 -2,-0.4 100,-0.1 0.872 127.8 -51.0 49.1 41.8 32.3 2.9 21.0 21 237 A G T 3 S+ 0 0 38 98,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.282 114.7 121.3 82.5 -13.0 28.7 2.0 20.5 22 238 A E E < -B 19 0A 119 -3,-3.0 -3,-2.7 99,-0.1 2,-0.4 -0.660 46.6-158.5 -86.4 138.8 29.5 -0.6 17.9 23 239 A T E +B 18 0A 95 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.955 22.2 147.6-121.8 137.0 28.4 -4.2 18.6 24 240 A F E -B 17 0A 47 -7,-2.0 -7,-3.1 -2,-0.4 2,-0.3 -0.984 36.1-123.2-160.9 158.5 29.8 -7.4 17.1 25 241 A Q E -B 16 0A 96 -2,-0.3 -9,-0.2 -9,-0.3 -11,-0.0 -0.829 30.5-111.7-109.2 145.1 30.5 -11.0 17.9 26 242 A I - 0 0 0 -11,-3.2 -11,-0.4 -2,-0.3 2,-0.1 -0.620 45.7-103.6 -74.8 132.0 33.8 -12.8 17.8 27 243 A P >> - 0 0 61 0, 0.0 4,-1.6 0, 0.0 3,-1.3 -0.324 18.6-133.8 -58.3 129.1 33.8 -15.3 14.9 28 244 A S H 3> S+ 0 0 49 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.879 107.3 61.8 -51.0 -40.8 33.3 -18.9 16.0 29 245 A S H 3> S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.880 102.6 51.3 -55.6 -37.6 36.2 -19.9 13.7 30 246 A D H <> S+ 0 0 53 -3,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.951 110.3 46.0 -65.6 -49.4 38.5 -17.6 15.7 31 247 A I H >X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 3,-0.7 0.928 114.1 48.7 -59.3 -45.6 37.6 -19.1 19.1 32 248 A M H 3< S+ 0 0 107 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.886 109.1 54.6 -61.1 -36.9 37.9 -22.6 17.7 33 249 A S H 3< S+ 0 0 70 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.771 110.9 45.8 -67.0 -25.5 41.2 -21.5 16.3 34 250 A W H << S+ 0 0 7 -4,-1.3 11,-1.7 -3,-0.7 -1,-0.2 0.674 83.5 119.2 -91.2 -20.5 42.3 -20.4 19.8 35 251 A L E < -C 44 0B 40 -4,-1.6 2,-0.3 9,-0.2 9,-0.2 -0.110 42.9-174.2 -47.0 142.7 41.2 -23.5 21.6 36 252 A T E -C 43 0B 38 7,-1.7 7,-2.3 2,-0.0 2,-0.4 -0.999 19.5-176.8-147.7 138.1 44.0 -25.3 23.4 37 253 A Y E +C 42 0B 97 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.941 21.8 147.5-138.9 115.4 44.4 -28.5 25.3 38 254 A N E > -C 41 0B 98 3,-1.9 3,-2.2 -2,-0.4 -2,-0.0 -0.993 66.4 -0.0-148.0 141.6 47.7 -29.4 26.9 39 255 A D T 3 S- 0 0 156 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.903 129.7 -55.0 43.7 53.7 48.7 -31.3 30.0 40 256 A G T 3 S+ 0 0 36 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.674 112.8 122.9 57.9 19.9 45.1 -31.9 30.9 41 257 A K E < -C 38 0B 145 -3,-2.2 -3,-1.9 -38,-0.0 2,-0.4 -0.941 53.2-147.3-119.7 134.8 44.3 -28.2 30.7 42 258 A V E +C 37 0B 31 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.786 41.2 132.4 -93.1 136.0 41.8 -26.3 28.6 43 259 A D E -C 36 0B 57 -7,-2.3 -7,-1.7 -2,-0.4 2,-0.3 -0.894 48.9 -99.8-162.0-170.9 43.0 -22.8 27.6 44 260 A L E -C 35 0B 2 -2,-0.3 2,-1.3 -9,-0.2 -9,-0.2 -0.945 40.3-100.8-127.0 150.0 43.3 -20.3 24.7 45 261 A D >> - 0 0 51 -11,-1.7 4,-2.4 -2,-0.3 3,-0.5 -0.549 33.8-159.5 -71.9 97.4 46.4 -19.4 22.7 46 262 A T H 3> S+ 0 0 55 -2,-1.3 4,-3.6 1,-0.2 5,-0.3 0.877 85.0 56.9 -44.2 -52.0 47.4 -16.2 24.3 47 263 A E H 3> S+ 0 0 150 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.915 112.0 41.3 -48.8 -51.4 49.4 -14.9 21.4 48 264 A Q H <> S+ 0 0 69 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.918 115.9 48.6 -65.2 -45.5 46.5 -15.2 19.0 49 265 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.909 111.8 51.0 -62.4 -39.2 44.0 -13.8 21.4 50 266 A R H X S+ 0 0 96 -4,-3.6 4,-2.4 -5,-0.3 -1,-0.2 0.886 106.7 54.1 -65.3 -37.3 46.4 -10.9 22.2 51 267 A Q H X S+ 0 0 103 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.914 108.3 50.1 -62.1 -42.3 46.7 -10.2 18.5 52 268 A Y H X S+ 0 0 35 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.972 112.0 46.2 -58.3 -56.1 43.0 -9.9 18.2 53 269 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.3 -1,-0.2 0.848 110.8 54.2 -57.0 -35.0 42.8 -7.6 21.1 54 270 A T H X S+ 0 0 38 -4,-2.4 4,-2.3 2,-0.2 -1,-0.3 0.932 107.7 49.9 -64.7 -43.3 45.6 -5.6 19.6 55 271 A D H X S+ 0 0 63 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.935 104.6 58.4 -60.0 -46.1 43.7 -5.4 16.4 56 272 A L H X S+ 0 0 7 -4,-2.7 4,-2.8 1,-0.2 5,-0.4 0.917 108.9 45.5 -49.0 -47.3 40.6 -4.1 18.3 57 273 A G H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.915 111.5 50.7 -64.8 -42.4 42.8 -1.2 19.6 58 274 A T H < S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.896 118.5 40.9 -60.5 -37.2 44.2 -0.5 16.2 59 275 A K H < S+ 0 0 137 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.777 131.3 17.7 -83.2 -30.9 40.6 -0.5 14.9 60 276 A Y H < S+ 0 0 49 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.660 75.8 127.4-120.9 -17.9 38.8 1.4 17.6 61 277 A N >X - 0 0 17 -4,-2.2 3,-1.8 -5,-0.4 4,-0.7 -0.192 44.5-155.9 -48.9 116.7 41.1 3.4 19.9 62 278 A T T 34 S+ 0 0 4 24,-0.6 20,-0.3 1,-0.3 -1,-0.2 0.446 93.3 70.0 -73.3 2.5 39.8 6.9 19.9 63 279 A S T 34 S+ 0 0 29 23,-0.8 -1,-0.3 22,-0.1 24,-0.1 0.658 116.6 18.8 -90.5 -19.6 43.3 7.7 20.8 64 280 A T T <4 S+ 0 0 94 -3,-1.8 2,-0.4 -7,-0.2 -2,-0.2 0.195 116.8 72.3-134.6 14.0 44.4 6.8 17.3 65 281 A N S < S- 0 0 57 -4,-0.7 -1,-0.1 -5,-0.2 -6,-0.0 -0.979 76.2-129.5-134.6 120.5 41.2 6.9 15.3 66 282 A D - 0 0 91 -2,-0.4 2,-0.5 15,-0.1 -2,-0.1 -0.110 25.5-112.9 -61.9 164.9 39.4 10.2 14.5 67 283 A T E -D 79 0C 18 12,-2.6 12,-2.6 -5,-0.1 2,-0.4 -0.905 14.3-134.8-110.5 122.1 35.7 10.7 15.2 68 284 A K E -D 78 0C 155 -2,-0.5 2,-0.4 10,-0.2 10,-0.2 -0.594 32.9-164.2 -71.0 125.0 33.1 11.1 12.5 69 285 A F E -D 77 0C 8 8,-3.4 8,-3.1 -2,-0.4 2,-1.3 -0.954 23.9-141.1-124.0 131.0 30.9 14.0 13.6 70 286 A K E -D 76 0C 159 -2,-0.4 6,-0.2 6,-0.2 5,-0.0 -0.714 33.2-160.9 -88.1 94.3 27.5 15.2 12.5 71 287 A S - 0 0 15 4,-2.3 4,-0.4 -2,-1.3 59,-0.0 -0.115 23.8-120.9 -70.3 170.4 27.9 19.0 12.5 72 288 A T S S+ 0 0 41 1,-0.1 -1,-0.1 2,-0.1 4,-0.1 0.798 105.8 19.3 -84.1 -30.4 25.1 21.5 12.6 73 289 A K S S+ 0 0 141 2,-0.1 -1,-0.1 1,-0.0 -3,-0.0 0.302 126.5 42.8-125.2 10.4 26.0 23.3 9.4 74 290 A R S S- 0 0 102 1,-0.4 2,-0.2 3,-0.0 -2,-0.1 0.349 90.3-127.1-138.3 8.9 28.2 21.0 7.3 75 291 A G S S- 0 0 45 -4,-0.4 -4,-2.3 -5,-0.0 2,-0.6 -0.562 72.3 -5.1 78.4-145.1 26.7 17.5 7.5 76 292 A E E S+D 70 0C 121 -6,-0.2 -6,-0.2 -2,-0.2 2,-0.2 -0.773 74.7 164.3 -94.0 121.6 29.1 14.7 8.5 77 293 A V E -D 69 0C 18 -8,-3.1 -8,-3.4 -2,-0.6 2,-0.5 -0.655 36.6-104.1-122.7 179.3 32.8 15.7 9.0 78 294 A T E -D 68 0C 83 -10,-0.2 -10,-0.2 -2,-0.2 -12,-0.0 -0.933 21.7-162.2-113.0 124.2 35.9 14.3 10.6 79 295 A V E -D 67 0C 0 -12,-2.6 -12,-2.6 -2,-0.5 86,-0.1 -0.918 26.3-125.8-104.5 118.6 37.2 15.6 13.9 80 296 A P - 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