==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-APR-05 1ZAT . COMPND 2 MOLECULE: L,D-TRANSPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECIUM; . AUTHOR S.BIARROTTE-SORIN,J.-E.HUGONNET,J.-L.MAINARDI,L.GUTMANN, . 248 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12763.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 21.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 19 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 1 0 1 0 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 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 . 2 0 2 5 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 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 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 0 226 0, 0.0 3,-0.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-159.6 -44.2 62.7 20.4 2 218 A E >> + 0 0 132 1,-0.2 3,-1.1 2,-0.1 4,-1.1 0.195 360.0 105.3-100.3 18.3 -42.1 65.8 20.0 3 219 A Q H 3> S+ 0 0 69 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.577 73.2 73.5 -68.7 -4.6 -38.8 64.0 20.0 4 220 A L H 3> S+ 0 0 101 -3,-0.4 4,-2.8 2,-0.2 -1,-0.3 0.899 88.3 53.8 -71.7 -44.0 -39.3 64.9 16.4 5 221 A A H <> S+ 0 0 54 -3,-1.1 4,-1.7 1,-0.2 -2,-0.2 0.895 111.0 50.2 -55.5 -37.3 -38.5 68.5 17.3 6 222 A S H X S+ 0 0 45 -4,-1.1 4,-2.3 2,-0.2 3,-0.5 0.979 109.9 45.3 -63.7 -59.8 -35.4 66.9 18.7 7 223 A M H X S+ 0 0 42 -4,-2.7 4,-0.9 1,-0.3 -2,-0.2 0.818 114.4 51.1 -55.8 -32.3 -34.4 64.9 15.7 8 224 A N H X S+ 0 0 91 -4,-2.8 4,-0.9 2,-0.2 -1,-0.3 0.838 107.5 54.3 -73.1 -34.2 -35.1 68.0 13.5 9 225 A A H >X S+ 0 0 41 -4,-1.7 3,-0.7 -3,-0.5 4,-0.6 0.938 110.0 43.6 -65.7 -48.6 -32.9 70.0 15.8 10 226 A I H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.716 106.7 62.2 -72.2 -18.5 -29.9 67.7 15.5 11 227 A A H 3< S+ 0 0 16 -4,-0.9 -1,-0.2 -5,-0.3 -2,-0.2 0.786 110.9 40.0 -74.7 -25.4 -30.4 67.5 11.7 12 228 A N H << S+ 0 0 117 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.456 86.5 124.9 -99.3 -5.3 -29.8 71.2 11.6 13 229 A V < - 0 0 3 -4,-0.6 2,-1.0 88,-0.1 92,-0.1 -0.318 57.9-139.5 -59.5 132.0 -27.0 71.3 14.1 14 230 A K - 0 0 113 90,-0.1 93,-1.6 11,-0.1 2,-0.7 -0.822 21.0-167.6 -95.6 99.4 -23.9 72.9 12.6 15 231 A A E -a 107 0A 0 -2,-1.0 11,-2.7 11,-0.4 2,-0.5 -0.809 5.3-168.2 -92.0 113.2 -21.1 70.7 13.9 16 232 A T E -aB 108 25A 22 91,-3.1 93,-2.2 -2,-0.7 2,-0.4 -0.895 6.2-160.3-109.2 128.2 -17.7 72.4 13.4 17 233 A Y E -aB 109 24A 0 7,-2.5 7,-1.6 -2,-0.5 2,-0.5 -0.828 4.1-161.8-103.1 141.5 -14.4 70.7 13.8 18 234 A S E + B 0 23A 24 91,-3.0 2,-0.4 -2,-0.4 5,-0.2 -0.940 23.8 165.5-123.0 104.9 -11.1 72.5 14.3 19 235 A I E > - B 0 22A 3 3,-2.7 3,-3.0 -2,-0.5 101,-0.2 -0.985 63.9 -20.6-129.9 129.3 -8.2 70.2 13.5 20 236 A N T 3 S- 0 0 53 99,-1.3 103,-0.2 -2,-0.4 100,-0.1 0.814 127.3 -51.5 46.9 36.7 -4.5 71.0 12.9 21 237 A G T 3 S+ 0 0 36 98,-0.6 2,-0.4 1,-0.2 -1,-0.3 0.344 115.6 114.1 87.8 -8.0 -5.6 74.6 12.1 22 238 A E E < -B 19 0A 138 -3,-3.0 -3,-2.7 99,-0.1 2,-0.4 -0.820 49.3-156.5-102.4 137.8 -8.2 73.6 9.6 23 239 A T E +B 18 0A 93 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.898 21.9 151.9-114.0 139.7 -11.9 74.2 10.1 24 240 A F E -B 17 0A 47 -7,-1.6 -7,-2.5 -2,-0.4 2,-0.3 -0.979 35.9-117.9-158.4 159.8 -14.8 72.3 8.4 25 241 A Q E -B 16 0A 108 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.819 28.4-115.5-105.3 144.1 -18.4 71.4 9.1 26 242 A I - 0 0 1 -11,-2.7 -11,-0.4 -2,-0.3 5,-0.1 -0.676 46.8-107.9 -75.2 122.6 -19.8 67.9 9.4 27 243 A P >> - 0 0 60 0, 0.0 4,-1.6 0, 0.0 3,-1.0 -0.237 15.8-130.8 -53.6 136.9 -22.2 67.6 6.4 28 244 A S H 3> S+ 0 0 58 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.866 107.7 63.1 -56.3 -37.4 -25.9 67.5 7.4 29 245 A S H 3> S+ 0 0 73 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.839 102.4 48.6 -58.4 -35.4 -26.3 64.5 5.2 30 246 A D H <> S+ 0 0 49 -3,-1.0 4,-0.7 2,-0.2 -1,-0.2 0.911 111.4 49.7 -71.2 -41.7 -23.9 62.5 7.4 31 247 A I H >X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 3,-0.9 0.920 110.5 50.0 -61.5 -43.7 -25.7 63.6 10.5 32 248 A M H 3< S+ 0 0 110 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.852 109.6 51.4 -64.6 -33.7 -29.1 62.6 9.0 33 249 A S H 3< S+ 0 0 58 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.590 111.0 48.3 -79.4 -9.9 -27.6 59.2 8.1 34 250 A W H << S+ 0 0 9 -3,-0.9 11,-2.8 -4,-0.7 -2,-0.2 0.677 85.9 109.8 -96.6 -26.1 -26.4 58.8 11.7 35 251 A L E < +C 44 0B 40 -4,-1.6 2,-0.2 9,-0.2 9,-0.2 -0.309 45.5 161.8 -54.1 122.3 -29.8 59.8 13.0 36 252 A T E -C 43 0B 50 7,-2.4 7,-1.8 -2,-0.1 2,-0.3 -0.747 28.1-145.6-133.5-178.9 -31.4 56.7 14.5 37 253 A Y E +C 42 0B 121 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.877 31.3 136.9-158.5 119.2 -34.2 56.0 16.9 38 254 A N E > +C 41 0B 74 3,-1.8 3,-1.6 -2,-0.3 -2,-0.1 -0.970 61.1 29.4-162.1 151.8 -34.5 53.2 19.4 39 255 A D T 3 S- 0 0 131 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.834 127.1 -69.8 62.9 32.8 -35.6 52.7 23.0 40 256 A G T 3 S+ 0 0 33 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.554 112.7 116.1 63.9 8.4 -37.9 55.6 22.5 41 257 A K E < S-C 38 0B 127 -3,-1.6 -3,-1.8 -38,-0.0 2,-0.2 -0.851 70.6-121.3-114.2 144.8 -34.9 57.8 22.3 42 258 A V E +C 37 0B 20 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.595 52.4 152.3 -74.5 140.3 -33.4 60.0 19.6 43 259 A D E -C 36 0B 41 -7,-1.8 -7,-2.4 -2,-0.2 2,-0.4 -0.866 42.0-106.9-154.7-172.8 -29.9 58.8 19.0 44 260 A L E -C 35 0B 2 -2,-0.3 2,-1.3 -9,-0.2 -9,-0.2 -0.993 38.6-106.5-130.7 137.1 -26.9 58.4 16.6 45 261 A D >> - 0 0 56 -11,-2.8 4,-2.2 -2,-0.4 3,-0.9 -0.459 33.1-159.6 -62.9 96.1 -25.7 55.2 15.0 46 262 A T H 3> S+ 0 0 66 -2,-1.3 4,-2.2 1,-0.3 -1,-0.2 0.769 87.5 60.0 -51.3 -28.0 -22.6 54.9 17.2 47 263 A E H 3> S+ 0 0 154 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.935 107.9 43.1 -68.9 -43.0 -21.0 52.6 14.6 48 264 A Q H <> S+ 0 0 70 -3,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.884 113.6 50.4 -69.3 -40.1 -21.2 55.3 11.9 49 265 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.922 109.6 52.3 -64.3 -41.7 -20.0 58.0 14.1 50 266 A R H X S+ 0 0 102 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.838 107.2 52.0 -63.4 -33.0 -17.1 55.9 15.2 51 267 A Q H X S+ 0 0 106 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.918 108.2 52.1 -69.4 -40.7 -16.2 55.3 11.5 52 268 A Y H X S+ 0 0 37 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.919 112.5 44.0 -60.7 -44.7 -16.2 59.0 10.9 53 269 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.858 110.1 55.7 -70.1 -33.1 -13.9 59.7 13.9 54 270 A T H X S+ 0 0 47 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.842 109.3 48.7 -66.0 -30.4 -11.7 56.7 12.7 55 271 A D H X S+ 0 0 66 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.850 106.2 54.4 -77.1 -34.3 -11.5 58.5 9.4 56 272 A L H X>S+ 0 0 3 -4,-1.8 4,-3.1 1,-0.2 5,-0.6 0.939 109.2 51.5 -62.1 -43.1 -10.6 61.9 11.0 57 273 A G H X5S+ 0 0 4 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.934 111.1 44.6 -58.7 -49.1 -7.8 60.0 12.7 58 274 A T H <5S+ 0 0 83 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.828 119.5 42.9 -67.6 -30.1 -6.4 58.5 9.5 59 275 A K H <5S+ 0 0 123 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.865 130.3 17.9 -84.0 -36.6 -6.7 61.8 7.6 60 276 A Y H <5S+ 0 0 71 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.681 79.3 123.1-112.6 -22.3 -5.4 64.2 10.2 61 277 A N >X< - 0 0 14 -4,-2.0 3,-1.6 -5,-0.6 4,-0.7 -0.209 49.8-152.4 -46.3 118.4 -3.4 62.4 12.9 62 278 A T T 34 S+ 0 0 5 24,-0.5 20,-0.3 1,-0.3 -1,-0.2 0.495 93.5 70.1 -72.5 -1.7 -0.0 64.1 12.8 63 279 A S T 34 S+ 0 0 31 23,-1.0 -1,-0.3 1,-0.1 24,-0.1 0.647 114.6 21.7 -88.3 -16.3 1.2 60.7 14.1 64 280 A T T <4 S+ 0 0 88 -3,-1.6 2,-0.4 22,-0.2 -2,-0.2 0.251 116.3 69.8-132.7 10.7 0.5 59.1 10.7 65 281 A N S < S- 0 0 54 -4,-0.7 -1,-0.1 -5,-0.1 -6,-0.0 -0.997 78.6-123.6-133.3 128.7 0.4 62.0 8.3 66 282 A D - 0 0 89 -2,-0.4 2,-0.4 15,-0.1 -2,-0.1 -0.129 28.2-113.7 -64.1 166.4 3.5 64.0 7.4 67 283 A T E -D 79 0C 14 12,-2.8 12,-3.2 -5,-0.1 2,-0.5 -0.889 11.0-134.5-110.9 134.0 3.7 67.7 7.9 68 284 A K E -D 78 0C 144 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.747 33.3-170.0 -82.6 124.8 3.9 70.4 5.2 69 285 A F E -D 77 0C 7 8,-3.1 8,-2.9 -2,-0.5 2,-1.4 -0.966 27.0-135.1-125.0 134.9 6.6 72.8 6.3 70 286 A K E -D 76 0C 157 -2,-0.4 6,-0.3 6,-0.2 5,-0.1 -0.693 35.1-159.8 -87.5 91.5 7.6 76.2 4.9 71 287 A S - 0 0 13 4,-2.3 4,-0.5 -2,-1.4 59,-0.0 -0.119 22.3-121.5 -66.2 168.4 11.4 75.8 4.9 72 288 A T S S+ 0 0 49 1,-0.1 -1,-0.1 2,-0.1 4,-0.1 0.896 105.6 24.3 -79.0 -40.5 13.8 78.7 4.8 73 289 A K S S+ 0 0 136 2,-0.1 -1,-0.1 1,-0.1 -3,-0.0 0.200 128.7 35.3-112.8 16.5 15.6 77.8 1.5 74 290 A R S S- 0 0 85 1,-0.3 -2,-0.1 3,-0.0 2,-0.1 0.365 91.2-125.2-151.2 6.0 13.2 75.7 -0.4 75 291 A G S S- 0 0 42 -4,-0.5 -4,-2.3 -5,-0.1 2,-0.5 -0.454 74.2 -2.6 76.4-153.8 9.6 76.8 0.1 76 292 A E E S+D 70 0C 117 -6,-0.3 -6,-0.2 -2,-0.1 2,-0.2 -0.597 74.4 166.0 -80.2 124.1 7.0 74.2 1.3 77 293 A V E -D 69 0C 29 -8,-2.9 -8,-3.1 -2,-0.5 2,-0.6 -0.752 38.3-101.7-126.7 173.8 8.4 70.7 1.7 78 294 A T E -D 68 0C 86 -2,-0.2 -10,-0.2 -10,-0.2 -12,-0.0 -0.895 27.3-163.6-105.8 120.8 7.2 67.6 3.4 79 295 A V E -D 67 0C 0 -12,-3.2 -12,-2.8 -2,-0.6 86,-0.1 -0.901 25.1-121.4-102.4 123.5 8.7 66.7 6.8 80 296 A P - 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