==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-SEP-05 2B44 . COMPND 2 MOLECULE: GLYCYL-GLYCINE ENDOPEPTIDASE LYTM; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.FIRCZUK,A.MUCHA,M.BOCHTLER . 258 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 64.3 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 . 100 38.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.6 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 . 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 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 3.1 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+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 4 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 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 . 4 8 2 2 2 2 2 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 2 0 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 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 1 186 A A 0 0 26 0, 0.0 2,-0.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 143.0 32.3 30.2 22.8 2 187 A K + 0 0 112 39,-1.7 88,-0.3 1,-0.2 126,-0.0 -0.935 360.0 1.7-128.7 143.6 35.5 28.6 24.2 3 188 A D S > S+ 0 0 114 -2,-0.3 3,-0.5 86,-0.1 -1,-0.2 0.824 85.9 147.8 59.1 38.6 39.3 29.0 23.3 4 189 A A T >> + 0 0 14 1,-0.2 4,-2.1 -3,-0.2 3,-2.1 0.406 22.7 102.4 -96.7 0.3 38.1 31.5 20.9 5 190 A S H 3> S+ 0 0 84 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.725 72.0 70.4 -65.7 -21.5 40.8 34.2 20.6 6 191 A W H <4 S+ 0 0 32 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.823 117.8 24.9 -56.7 -27.5 42.1 32.9 17.3 7 192 A L H X4 S+ 0 0 0 -3,-2.1 3,-1.8 2,-0.1 -2,-0.2 0.828 119.9 53.6-102.8 -47.7 38.8 34.2 15.9 8 193 A T H 3< S+ 0 0 58 -4,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.653 98.8 65.2 -73.0 -16.6 37.7 37.0 18.3 9 194 A S T 3< S+ 0 0 87 -4,-1.6 -1,-0.3 -5,-0.3 2,-0.2 0.552 89.9 92.9 -72.8 -10.4 40.9 38.9 17.9 10 195 A R S < S- 0 0 86 -3,-1.8 2,-0.2 -5,-0.1 22,-0.1 -0.525 82.4-108.9 -87.0 153.1 40.1 39.4 14.3 11 196 A K - 0 0 149 -2,-0.2 20,-2.8 1,-0.1 2,-0.7 -0.499 32.1-116.2 -73.9 146.7 38.3 42.3 12.7 12 197 A Q E -A 30 0A 92 18,-0.2 18,-0.2 -2,-0.2 -1,-0.1 -0.764 28.3-178.5 -83.6 117.1 34.8 41.8 11.4 13 198 A L E S+ 0 0 55 16,-2.2 7,-0.2 -2,-0.7 17,-0.2 0.805 77.6 16.2 -80.3 -35.5 34.7 42.3 7.7 14 199 A Q E S-A 29 0A 44 15,-1.4 15,-2.6 5,-0.1 -1,-0.3 -0.983 81.6-136.2-142.6 129.0 30.9 41.8 7.4 15 200 A P - 0 0 35 0, 0.0 12,-0.2 0, 0.0 2,-0.1 -0.343 28.7 -92.2 -81.3 162.9 28.5 41.9 10.4 16 201 A Y S S+ 0 0 65 1,-0.2 2,-0.6 10,-0.1 10,-0.2 -0.439 103.3 35.0 -63.6 142.7 25.6 39.5 11.2 17 202 A G E S+I 25 0B 13 8,-2.6 8,-2.1 10,-0.2 2,-0.3 -0.695 122.3 2.8 118.3 -80.3 22.3 40.6 9.9 18 203 A Q E S-I 24 0B 125 -2,-0.6 6,-0.2 6,-0.3 5,-0.1 -0.987 76.4-107.2-137.3 143.2 22.9 42.2 6.5 19 204 A Y > - 0 0 50 4,-2.7 3,-2.7 -2,-0.3 2,-1.0 -0.339 53.7 -87.7 -58.0 152.1 26.1 42.7 4.4 20 205 A H T 3 S+ 0 0 135 1,-0.3 -1,-0.1 -7,-0.2 -7,-0.0 -0.530 127.8 24.6 -63.7 106.7 27.4 46.4 4.3 21 206 A G T 3 S- 0 0 92 -2,-1.0 -1,-0.3 -3,-0.0 -2,-0.1 0.167 127.9 -78.2 106.8 -9.1 25.3 47.4 1.3 22 207 A G S < S+ 0 0 41 -3,-2.7 -3,-0.1 1,-0.2 -2,-0.1 -0.137 72.6 100.0 116.0 158.3 22.6 44.8 1.8 23 208 A G S S- 0 0 49 -5,-0.1 -4,-2.7 -4,-0.1 -1,-0.2 0.204 75.7 -59.7 91.6 138.4 21.1 41.4 1.6 24 209 A A E -I 18 0B 50 -6,-0.2 2,-0.4 2,-0.0 -6,-0.3 -0.101 43.8-174.8 -62.5 141.0 20.8 39.0 4.3 25 210 A H E -I 17 0B 3 -8,-2.1 -8,-2.6 -6,-0.1 -2,-0.1 -0.976 5.8-168.6-134.8 121.5 23.9 37.6 6.1 26 211 A Y + 0 0 91 -2,-0.4 85,-0.3 -10,-0.2 2,-0.2 0.347 68.9 23.8 -99.9 1.7 23.2 34.9 8.7 27 212 A G S S- 0 0 0 -12,-0.2 2,-0.4 83,-0.2 83,-0.2 -0.746 86.2 -91.1-141.0-162.6 26.7 34.8 10.3 28 213 A V E - B 0 109A 3 81,-2.6 81,-2.4 -2,-0.2 2,-0.6 -0.926 25.5-142.7-120.5 138.3 29.7 37.0 10.9 29 214 A D E -AB 14 108A 3 -15,-2.6 -16,-2.2 -2,-0.4 -15,-1.4 -0.938 17.5-167.5-102.7 122.2 32.8 37.2 8.6 30 215 A Y E -AB 12 107A 15 77,-2.6 77,-2.2 -2,-0.6 -18,-0.2 -0.877 29.3-108.1-106.0 139.1 36.1 37.6 10.4 31 216 A A E + B 0 106A 22 -20,-2.8 75,-0.3 -2,-0.4 -20,-0.0 -0.342 47.7 169.7 -61.2 138.6 39.3 38.6 8.6 32 217 A M - 0 0 4 73,-1.7 3,-0.1 65,-0.1 4,-0.1 -0.890 37.2-114.6-157.3 122.5 41.6 35.6 8.4 33 218 A P > - 0 0 74 0, 0.0 3,-1.3 0, 0.0 63,-0.2 -0.278 55.1 -87.1 -53.7 141.1 44.8 34.9 6.5 34 219 A E T 3 S+ 0 0 86 1,-0.3 63,-0.2 61,-0.1 64,-0.1 -0.203 110.3 13.6 -56.6 138.2 44.3 32.1 4.0 35 220 A N T 3 S+ 0 0 91 61,-2.6 -1,-0.3 1,-0.2 62,-0.1 0.730 86.0 150.8 62.4 30.9 44.8 28.6 5.3 36 221 A S < - 0 0 18 -3,-1.3 60,-2.8 1,-0.1 -1,-0.2 -0.547 57.0 -89.9 -75.9 154.1 44.8 29.6 9.0 37 222 A P E -J 95 0C 48 0, 0.0 2,-0.4 0, 0.0 58,-0.2 -0.444 37.4-156.8 -68.8 138.0 43.5 27.0 11.4 38 223 A V E -J 94 0C 0 56,-2.6 55,-2.9 -2,-0.1 56,-1.7 -0.978 14.2-168.1-114.4 130.9 39.8 27.0 12.1 39 224 A Y E -J 92 0C 65 -2,-0.4 2,-0.2 53,-0.3 53,-0.2 -0.853 28.4 -99.5-119.6 153.4 38.7 25.4 15.4 40 225 A S - 0 0 0 51,-2.6 50,-3.3 -2,-0.3 51,-0.2 -0.527 20.9-155.5 -65.0 133.7 35.4 24.3 16.9 41 226 A L S S+ 0 0 1 -2,-0.2 -39,-1.7 48,-0.2 2,-0.3 0.463 74.4 45.6 -84.8 -4.1 34.1 26.9 19.3 42 227 A T S S- 0 0 13 46,-0.2 2,-0.3 -41,-0.2 49,-0.2 -0.963 79.7-113.4-143.7 150.5 32.2 24.1 21.1 43 228 A D S S+ 0 0 46 -2,-0.3 22,-2.2 45,-0.2 2,-0.3 -0.636 72.6 92.1 -66.8 140.4 32.1 20.7 22.5 44 229 A G E S-CD 64 87A 7 43,-2.5 43,-2.7 -2,-0.3 2,-0.4 -0.992 72.0 -57.2 166.7-153.8 29.6 18.7 20.3 45 230 A T E -CD 63 86A 30 18,-2.2 18,-2.7 -2,-0.3 2,-0.7 -0.982 33.9-128.9-126.6 131.2 29.2 16.5 17.2 46 231 A V E +C 62 0A 0 39,-3.2 38,-3.6 -2,-0.4 16,-0.3 -0.679 30.2 174.6 -73.9 111.4 30.2 17.1 13.6 47 232 A V E + 0 0 58 14,-2.4 2,-0.3 -2,-0.7 15,-0.2 0.624 67.3 14.7 -95.1 -15.8 26.9 16.3 11.8 48 233 A Q E +C 61 0A 47 13,-1.5 13,-3.0 34,-0.1 -1,-0.3 -0.956 59.5 168.9-158.0 138.4 28.2 17.3 8.3 49 234 A A E +C 60 0A 29 -2,-0.3 34,-0.4 11,-0.2 2,-0.3 -0.852 46.9 48.0-155.5 113.8 31.6 18.0 6.8 50 235 A G E S-C 59 0A 21 9,-2.3 9,-2.7 -2,-0.3 2,-0.4 -0.972 93.8 -10.8 150.9-160.8 32.3 18.5 3.2 51 236 A W E -C 58 0A 30 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.519 62.9-134.2 -75.7 125.3 31.0 20.3 0.1 52 237 A S - 0 0 9 5,-2.7 5,-0.3 -2,-0.4 -1,-0.1 -0.578 0.6-146.5 -73.9 134.3 27.6 22.0 0.7 53 238 A N S S+ 0 0 105 -2,-0.3 -1,-0.1 3,-0.1 133,-0.1 0.467 90.5 37.4 -79.7 -1.3 25.0 21.5 -2.0 54 239 A Y S S- 0 0 167 130,-0.2 131,-1.8 131,-0.1 3,-0.3 0.213 126.8 -43.6-114.2-117.9 23.7 25.0 -1.2 55 240 A G S S+ 0 0 11 128,-0.3 129,-0.1 1,-0.2 -2,-0.0 0.544 105.8 86.3-100.8 -5.1 25.7 28.1 -0.3 56 241 A G - 0 0 1 1,-0.2 19,-2.5 127,-0.1 20,-0.3 0.469 62.5-164.1 -82.2 -7.8 28.3 26.9 2.3 57 242 A G S S+ 0 0 0 -3,-0.3 -5,-2.7 -5,-0.3 2,-0.9 -0.291 74.7 4.6 55.9-141.0 31.2 25.7 0.1 58 243 A N E S+CE 51 76A 22 18,-0.6 18,-2.1 -7,-0.2 2,-0.3 -0.664 99.0 177.6 -73.7 107.1 33.6 23.5 2.1 59 244 A Q E -C 50 0A 10 -9,-2.7 -9,-2.3 -2,-0.9 2,-0.4 -0.886 33.3-157.3-126.0 144.8 31.5 23.5 5.3 60 245 A V E -CE 49 73A 0 13,-2.0 13,-2.3 -2,-0.3 2,-0.5 -0.988 10.3-164.7-117.9 131.6 31.5 22.0 8.8 61 246 A T E -CE 48 72A 3 -13,-3.0 -14,-2.4 -2,-0.4 -13,-1.5 -0.981 9.4-174.2-113.6 123.9 28.2 21.7 10.7 62 247 A I E -CE 46 71A 0 9,-2.2 9,-2.5 -2,-0.5 2,-0.6 -0.970 18.7-145.8-122.8 129.0 28.5 21.0 14.5 63 248 A K E -CE 45 70A 64 -18,-2.7 -18,-2.2 -2,-0.4 7,-0.2 -0.879 31.6-120.2 -88.1 121.9 25.6 20.3 16.9 64 249 A E E > -C 44 0A 15 5,-2.7 3,-1.3 -2,-0.6 5,-0.3 -0.379 43.8 -86.8 -64.4 140.0 26.5 21.9 20.3 65 250 A A T 3 S- 0 0 46 -22,-2.2 -1,-0.1 1,-0.2 3,-0.1 -0.223 105.1 -3.3 -54.3 130.3 26.6 19.2 23.0 66 251 A N T 3 S+ 0 0 168 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.786 117.8 83.8 62.5 31.6 23.2 18.4 24.6 67 252 A S S < S- 0 0 29 -3,-1.3 -1,-0.2 2,-0.2 46,-0.0 -0.951 81.9-117.8-148.7 170.3 21.2 21.1 22.7 68 253 A N S S+ 0 0 94 -2,-0.3 46,-2.8 -3,-0.1 2,-0.4 -0.118 77.5 116.7-102.6 36.0 19.4 21.8 19.5 69 254 A N E - F 0 113A 31 -5,-0.3 -5,-2.7 44,-0.2 2,-0.3 -0.877 45.9-169.3 -98.8 141.0 21.9 24.6 18.7 70 255 A Y E -EF 63 112A 39 42,-2.6 42,-2.6 -2,-0.4 2,-0.4 -0.892 11.2-148.6-131.6 155.9 24.0 24.2 15.6 71 256 A Q E -EF 62 111A 0 -9,-2.5 -9,-2.2 -2,-0.3 2,-0.4 -0.981 3.1-159.0-129.1 136.0 27.1 26.0 14.1 72 257 A W E -EF 61 110A 33 38,-2.6 38,-2.2 -2,-0.4 2,-0.5 -0.964 5.2-172.6-112.0 131.4 28.1 26.5 10.5 73 258 A Y E -EF 60 109A 0 -13,-2.3 -13,-2.0 -2,-0.4 3,-0.3 -0.981 28.2-175.6-116.8 106.4 31.7 27.2 9.5 74 259 A M E + F 0 108A 16 34,-1.9 34,-1.0 -2,-0.5 23,-0.2 -0.652 44.3 27.9-107.3 160.1 31.5 28.0 5.8 75 260 A H E S+ 0 0 3 -19,-2.5 24,-0.5 -2,-0.2 22,-0.5 0.818 77.3 152.8 67.1 36.5 33.7 28.8 2.9 76 261 A N E -E 58 0A 1 -18,-2.1 -18,-0.6 -20,-0.3 20,-0.2 -0.300 41.9-135.7 -80.8 169.4 36.8 26.9 4.1 77 262 A N S S+ 0 0 42 18,-2.7 -1,-0.2 1,-0.3 20,-0.1 0.343 79.3 5.9 -88.8-123.5 39.6 25.3 2.2 78 263 A R S S- 0 0 158 18,-0.2 17,-2.3 16,-0.1 -1,-0.3 -0.312 72.7-143.2 -66.7 138.0 40.7 21.8 3.5 79 264 A L B -K 94 0C 35 15,-0.2 15,-0.3 -3,-0.1 -1,-0.1 -0.708 11.0-165.2 -95.9 154.0 38.5 20.2 6.2 80 265 A T + 0 0 53 13,-2.4 2,-0.3 -2,-0.3 14,-0.2 0.259 65.3 60.5-124.2 10.1 40.1 18.1 9.0 81 266 A V - 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