==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-OCT-03 1R77 . COMPND 2 MOLECULE: CELL WALL TARGETING DOMAIN OF GLYCYLGLYCINE . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS CAPITIS; . AUTHOR J.Z.LU,T.FUJIWARA,H.KOMATSUZAWA,M.SUGAI,J.SAKON . 202 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11056.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 70.3 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 . 88 43.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 28 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 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 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 . 6 2 2 2 2 0 2 2 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 0 0 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 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 1 264 A D > 0 0 129 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 35.5 36.6 25.6 71.6 2 265 A D G >> + 0 0 40 1,-0.3 4,-2.5 2,-0.2 3,-1.6 0.785 360.0 67.7 -59.7 -26.9 34.4 28.3 73.0 3 266 A D G 34 S+ 0 0 95 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.528 90.2 65.5 -72.3 -2.0 36.9 28.6 75.9 4 267 A K G <4 S+ 0 0 79 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.644 117.1 23.5 -89.5 -18.3 39.3 30.0 73.3 5 268 A V T <4 S+ 0 0 3 -3,-1.6 130,-2.1 -4,-0.3 2,-0.3 0.572 123.1 49.7-120.1 -18.5 37.2 33.0 72.8 6 269 A K B < S-A 134 0A 2 -4,-2.5 2,-0.5 128,-0.3 128,-0.2 -0.950 82.5-111.6-126.6 147.3 35.2 33.4 76.0 7 270 A L - 0 0 39 126,-2.3 12,-0.4 -2,-0.3 2,-0.4 -0.622 35.8-173.6 -79.3 123.2 36.2 33.4 79.6 8 271 A Y - 0 0 38 -2,-0.5 2,-0.3 -5,-0.2 10,-0.2 -0.899 5.0-173.8-117.2 147.8 35.0 30.3 81.6 9 272 A K E -I 17 0B 85 8,-2.4 8,-2.8 -2,-0.4 2,-0.4 -0.836 19.6-127.5-130.4 167.7 35.3 29.6 85.3 10 273 A T E -I 16 0B 92 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.964 22.4-159.8-120.5 136.1 34.5 26.6 87.4 11 274 A N > - 0 0 52 4,-1.8 3,-2.3 -2,-0.4 4,-0.0 -0.474 40.9 -83.3-107.2-177.1 32.3 26.7 90.5 12 275 A K T 3 S+ 0 0 187 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.732 126.3 57.4 -56.4 -25.9 31.8 24.4 93.5 13 276 A Y T 3 S- 0 0 125 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.441 117.9-110.6 -86.2 0.2 29.4 22.2 91.6 14 277 A G < + 0 0 47 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.627 69.8 149.9 79.2 13.2 32.1 21.5 88.9 15 278 A T - 0 0 1 46,-0.1 -4,-1.8 44,-0.0 2,-0.6 -0.632 44.2-139.1 -82.7 135.1 30.0 23.6 86.5 16 279 A L E +IJ 10 60B 59 44,-1.9 44,-2.6 -2,-0.3 2,-0.3 -0.843 34.9 175.6 -92.8 123.0 31.9 25.5 83.8 17 280 A Y E -IJ 9 59B 59 -8,-2.8 -8,-2.4 -2,-0.6 2,-0.3 -0.946 23.1-168.4-136.3 155.9 30.3 28.9 83.4 18 281 A K E - J 0 58B 13 40,-2.4 40,-2.4 -2,-0.3 2,-0.6 -0.987 30.0-116.6-137.4 145.4 30.7 32.1 81.5 19 282 A S E + J 0 57B 35 -12,-0.4 114,-1.2 -2,-0.3 2,-0.3 -0.734 49.6 152.0 -83.0 122.3 29.0 35.5 82.0 20 283 A E E -P 132 0C 14 36,-1.3 2,-0.7 -2,-0.6 112,-0.2 -0.908 30.2-160.1-156.5 124.1 27.0 36.3 78.9 21 284 A S E + 0 0 49 110,-2.9 2,-0.2 -2,-0.3 35,-0.2 -0.901 41.5 119.0-111.5 104.8 23.8 38.4 78.5 22 285 A A E - J 0 55B 11 33,-0.9 33,-1.9 -2,-0.7 2,-0.4 -0.785 58.5 -90.1-145.9-171.9 21.9 37.6 75.3 23 286 A S E - J 0 54B 33 76,-2.9 76,-2.2 -2,-0.2 2,-0.4 -0.918 26.4-163.5-116.2 138.8 18.5 36.4 74.1 24 287 A F E -KJ 98 53B 0 29,-2.5 29,-2.3 -2,-0.4 2,-0.6 -0.982 1.1-164.8-121.8 127.5 17.4 32.8 73.5 25 288 A T E -KJ 97 52B 47 72,-2.9 72,-2.4 -2,-0.4 27,-0.2 -0.954 20.0-135.5-113.9 115.9 14.3 31.9 71.5 26 289 A A E -K 96 0B 3 25,-1.9 24,-2.9 -2,-0.6 70,-0.3 -0.395 15.9-166.9 -71.9 143.2 13.2 28.3 71.9 27 290 A N S S+ 0 0 94 68,-2.0 2,-0.3 22,-0.2 69,-0.2 0.216 78.6 28.3-109.8 12.7 12.1 26.2 68.8 28 291 A T S S- 0 0 63 67,-0.4 2,-0.7 19,-0.1 22,-0.1 -0.962 98.7 -81.4-160.7 165.4 10.6 23.6 71.1 29 292 A D - 0 0 100 -2,-0.3 2,-0.4 19,-0.1 19,-0.2 -0.702 52.6-162.8 -78.7 113.4 9.0 23.1 74.5 30 293 A I E -L 47 0B 7 17,-2.5 17,-2.9 -2,-0.7 2,-0.5 -0.842 16.4-131.1-107.5 134.6 11.9 22.9 77.0 31 294 A I E -L 46 0B 66 -2,-0.4 15,-0.2 15,-0.2 2,-0.2 -0.676 27.4-155.2 -81.1 121.9 11.8 21.6 80.5 32 295 A T E -L 45 0B 3 13,-1.9 12,-2.4 -2,-0.5 13,-0.7 -0.588 2.3-141.5 -97.1 160.7 13.5 24.1 82.9 33 296 A R E -LM 43 78B 52 45,-2.6 45,-2.5 10,-0.3 10,-0.2 -0.887 6.0-131.3-124.2 152.9 15.2 23.3 86.3 34 297 A L S S+ 0 0 49 8,-2.3 2,-3.0 -2,-0.3 4,-0.3 -0.538 80.1 6.4 -94.9 163.3 15.4 25.0 89.7 35 298 A T S S- 0 0 99 41,-0.5 -1,-0.1 -2,-0.2 42,-0.1 -0.083 123.3 -1.1 63.4 -42.9 18.5 25.7 91.8 36 299 A G S S- 0 0 5 -2,-3.0 2,-2.1 2,-0.2 42,-0.2 -0.992 83.0 -78.3-168.2 169.7 21.1 24.5 89.3 37 300 A P S S+ 0 0 7 0, 0.0 2,-0.4 0, 0.0 27,-0.2 -0.388 83.7 111.3 -77.5 62.2 21.9 23.0 85.8 38 301 A F > - 0 0 40 -2,-2.1 3,-1.8 -4,-0.3 -2,-0.2 -0.999 64.5-143.3-136.9 131.5 21.1 19.4 86.7 39 302 A R T 3 S+ 0 0 129 -2,-0.4 -1,-0.1 1,-0.3 4,-0.0 0.701 102.6 67.4 -66.1 -16.5 18.2 17.3 85.3 40 303 A S T 3 S+ 0 0 108 2,-0.0 -1,-0.3 -7,-0.0 3,-0.1 0.634 82.6 96.1 -77.8 -13.7 18.0 15.8 88.8 41 304 A M S < S- 0 0 45 -3,-1.8 -6,-0.1 -5,-0.2 3,-0.1 -0.301 94.6 -81.1 -72.5 160.6 16.9 19.2 90.2 42 305 A P - 0 0 78 0, 0.0 -8,-2.3 0, 0.0 2,-0.2 -0.281 53.6-102.5 -60.1 148.5 13.2 19.9 90.7 43 306 A Q E -L 33 0B 104 -10,-0.2 -10,-0.3 1,-0.2 3,-0.1 -0.537 30.3-168.2 -73.8 138.8 11.4 21.0 87.5 44 307 A S E - 0 0 23 -12,-2.4 2,-0.3 1,-0.3 -11,-0.2 0.852 52.1 -82.2 -91.9 -44.5 10.8 24.7 87.4 45 308 A G E -L 32 0B 22 -13,-0.7 -13,-1.9 -15,-0.0 2,-0.4 -0.909 49.9 -68.7 174.2-146.7 8.4 24.7 84.4 46 309 A V E -L 31 0B 77 -2,-0.3 2,-0.8 -15,-0.2 -15,-0.2 -0.989 25.4-141.7-142.8 129.2 8.5 24.7 80.7 47 310 A L E -L 30 0B 8 -17,-2.9 -17,-2.5 -2,-0.4 -19,-0.1 -0.838 34.7-130.9 -90.2 113.7 9.7 27.4 78.3 48 311 A R > - 0 0 158 -2,-0.8 3,-2.0 -19,-0.2 -22,-0.3 -0.298 26.2 -90.5 -68.4 147.9 7.2 27.2 75.4 49 312 A K T 3 S+ 0 0 132 1,-0.2 -22,-0.2 -22,-0.1 -1,-0.1 -0.260 111.9 23.7 -55.0 137.2 8.3 27.0 71.8 50 313 A G T 3 S+ 0 0 50 -24,-2.9 -1,-0.2 1,-0.3 2,-0.2 0.252 91.7 123.5 90.8 -13.6 8.6 30.5 70.2 51 314 A L < - 0 0 71 -3,-2.0 -25,-1.9 -26,-0.0 2,-0.4 -0.534 49.5-145.8 -83.1 150.0 9.2 32.4 73.4 52 315 A T E -J 25 0B 78 -27,-0.2 2,-0.3 -2,-0.2 -27,-0.2 -0.953 16.1-177.9-117.8 133.1 12.3 34.5 74.0 53 316 A I E -J 24 0B 22 -29,-2.3 -29,-2.5 -2,-0.4 2,-0.6 -0.906 25.1-127.4-125.8 156.3 14.0 35.0 77.3 54 317 A K E -J 23 0B 169 -2,-0.3 16,-0.4 -31,-0.2 -31,-0.2 -0.918 30.0-169.4-105.4 116.8 17.0 37.1 78.2 55 318 A Y E -J 22 0B 4 -33,-1.9 -33,-0.9 -2,-0.6 14,-0.2 -0.595 20.1-167.1-102.2 166.2 19.7 35.1 80.0 56 319 A D E S+ 0 0 55 12,-2.4 -36,-1.3 1,-0.2 2,-0.3 0.383 70.1 43.7-130.5 -1.7 22.8 36.3 81.8 57 320 A E E -JN 19 68B 38 11,-0.9 11,-2.2 -38,-0.2 2,-0.4 -0.997 57.2-156.9-148.2 146.7 24.9 33.1 82.3 58 321 A V E -JN 18 67B 8 -40,-2.4 -40,-2.4 -2,-0.3 2,-0.3 -0.991 20.0-175.3-125.5 133.5 25.9 30.1 80.2 59 322 A M E -JN 17 66B 3 7,-3.0 7,-3.4 -2,-0.4 2,-0.5 -0.953 23.5-149.8-134.8 151.8 26.9 26.8 81.8 60 323 A K E +JN 16 65B 29 -44,-2.6 -44,-1.9 -2,-0.3 2,-0.3 -0.979 46.8 121.7-119.2 116.3 28.2 23.4 80.9 61 324 A Q E > + N 0 64B 26 3,-2.2 3,-1.7 -2,-0.5 -46,-0.1 -0.965 57.1 21.4-168.8 154.4 27.1 20.7 83.3 62 325 A D T 3 S- 0 0 37 -2,-0.3 -23,-0.2 1,-0.3 3,-0.1 0.862 127.1 -54.9 46.5 50.2 25.2 17.4 83.3 63 326 A G T 3 S+ 0 0 21 1,-0.1 21,-2.3 20,-0.1 2,-0.3 0.640 120.6 77.6 63.2 18.6 25.6 16.6 79.6 64 327 A H E < S-NO 61 83B 22 -3,-1.7 -3,-2.2 19,-0.3 2,-0.4 -0.950 76.1-118.2-149.1 167.0 24.2 19.9 78.3 65 328 A V E -NO 60 82B 11 17,-2.3 16,-2.7 -2,-0.3 17,-1.0 -0.908 41.2-172.1-104.0 137.0 24.9 23.6 77.9 66 329 A W E -NO 59 80B 0 -7,-3.4 -7,-3.0 -2,-0.4 2,-0.4 -0.876 17.6-146.8-128.4 161.8 22.4 25.6 79.9 67 330 A V E -NO 58 79B 2 12,-2.1 12,-2.9 -2,-0.3 2,-0.4 -0.956 15.2-141.4-126.0 147.6 21.5 29.3 80.2 68 331 A G E +NO 57 78B 0 -11,-2.2 -12,-2.4 -2,-0.4 -11,-0.9 -0.914 30.8 150.1-112.7 138.3 20.4 30.9 83.5 69 332 A Y E - O 0 77B 21 8,-2.0 8,-3.3 -2,-0.4 2,-0.4 -0.952 38.1-113.9-154.3 170.6 17.8 33.6 83.7 70 333 A N E - O 0 76B 83 -16,-0.4 6,-0.2 -2,-0.3 -16,-0.2 -0.939 25.4-135.9-116.4 138.0 15.1 35.0 86.0 71 334 A T > - 0 0 38 4,-2.4 3,-1.7 -2,-0.4 -1,-0.0 -0.134 40.2 -88.2 -77.8-179.9 11.3 34.9 85.4 72 335 A N T 3 S+ 0 0 183 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.682 130.4 53.8 -64.1 -18.3 8.9 37.7 85.9 73 336 A S T 3 S- 0 0 100 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.463 121.8-107.0 -94.5 -3.9 8.5 36.6 89.5 74 337 A G < + 0 0 47 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.433 68.1 151.6 93.0 -0.1 12.2 36.7 90.1 75 338 A K - 0 0 79 1,-0.1 -4,-2.4 -5,-0.1 2,-0.5 -0.471 46.0-127.5 -68.3 130.7 12.6 32.9 90.1 76 339 A R E - O 0 70B 61 -6,-0.2 -41,-0.5 -2,-0.2 2,-0.3 -0.691 32.0-170.1 -82.6 125.9 16.0 31.7 89.0 77 340 A V E - O 0 69B 1 -8,-3.3 -8,-2.0 -2,-0.5 2,-0.6 -0.911 19.5-149.5-122.3 144.8 15.7 29.2 86.2 78 341 A Y E -MO 33 68B 32 -45,-2.5 -45,-2.6 -2,-0.3 -10,-0.2 -0.962 18.2-167.8-114.7 118.6 18.2 26.9 84.5 79 342 A L E - O 0 67B 0 -12,-2.9 -12,-2.1 -2,-0.6 2,-0.3 -0.922 14.4-142.3-112.6 117.4 17.4 26.1 80.8 80 343 A P E + O 0 66B 13 0, 0.0 -14,-0.3 0, 0.0 3,-0.1 -0.602 22.3 174.2 -76.5 134.1 19.1 23.4 78.8 81 344 A V E - 0 0 3 -16,-2.7 14,-3.1 1,-0.4 2,-0.3 0.523 59.3 -8.2-118.8 -8.2 19.7 24.5 75.2 82 345 A R E S- O 0 65B 65 -17,-1.0 -17,-2.3 12,-0.2 -1,-0.4 -0.939 75.6 -88.3-176.8 161.2 21.7 21.8 73.6 83 346 A T E - O 0 64B 61 10,-0.3 9,-2.2 -2,-0.3 2,-0.4 -0.463 32.1-160.9 -80.5 156.4 23.6 18.6 74.4 84 347 A W B -Q 91 0D 37 -21,-2.3 2,-1.0 7,-0.2 7,-0.2 -0.936 12.4-144.6-142.4 112.7 27.3 18.6 75.5 85 348 A N >> - 0 0 69 5,-3.4 4,-4.3 -2,-0.4 3,-1.8 -0.696 10.2-166.2 -80.8 103.6 29.4 15.5 75.3 86 349 A E T 34 S+ 0 0 104 -2,-1.0 -1,-0.2 1,-0.3 -24,-0.0 0.684 86.4 58.5 -63.5 -17.9 31.7 16.0 78.3 87 350 A S T 34 S+ 0 0 110 3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.463 128.0 9.5 -92.1 -2.5 33.9 13.2 76.8 88 351 A T T <4 S- 0 0 91 -3,-1.8 -2,-0.2 2,-0.1 3,-0.1 0.432 93.0-118.5-147.0 -21.1 34.6 15.0 73.6 89 352 A G < + 0 0 40 -4,-4.3 -3,-0.2 1,-0.3 2,-0.1 0.426 59.2 156.5 87.5 -1.2 33.3 18.5 73.9 90 353 A E - 0 0 117 -5,-0.4 -5,-3.4 -6,-0.1 2,-0.4 -0.355 30.2-149.8 -61.4 134.0 30.9 17.8 71.0 91 354 A L B -Q 84 0D 80 -7,-0.2 -7,-0.2 -3,-0.1 3,-0.1 -0.888 4.0-139.4-110.0 137.5 27.8 20.0 71.1 92 355 A G - 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