==== 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 HYDROLASE 22-MAR-05 1Z6F . COMPND 2 MOLECULE: PENICILLIN-BINDING PROTEIN 5; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.NICOLA,S.PEDDI,M.STEFANOVA,R.A.NICHOLAS,W.G.GUTHEIL,C.DAVI . 354 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16849.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 24.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 18 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 1 0 0 0 0 1 0 0 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 1 1 3 1 1 1 2 1 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 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 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 4 A N 0 0 181 0, 0.0 4,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.7 37.7 -31.9 4.4 2 5 A I + 0 0 144 2,-0.2 3,-0.5 1,-0.2 0, 0.0 0.883 360.0 47.9 -70.3 -41.1 41.2 -30.5 5.2 3 6 A K S S+ 0 0 100 1,-0.2 -1,-0.2 297,-0.0 298,-0.0 0.935 118.6 39.4 -61.2 -47.6 41.0 -28.3 2.1 4 7 A T S S+ 0 0 82 2,-0.1 -1,-0.2 330,-0.0 -2,-0.2 0.308 84.6 138.1 -93.5 8.0 37.5 -27.0 2.9 5 8 A M - 0 0 85 -3,-0.5 -3,-0.1 -4,-0.4 0, 0.0 -0.209 44.6-147.6 -53.4 137.4 37.9 -26.7 6.7 6 9 A I - 0 0 157 292,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.958 26.0-128.7-103.6 113.4 36.4 -23.6 8.4 7 10 A P - 0 0 22 0, 0.0 2,-0.3 0, 0.0 252,-0.0 -0.267 17.5-115.8 -65.6 143.2 38.7 -22.8 11.4 8 11 A G - 0 0 66 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.598 30.1-122.8 -73.9 138.7 37.1 -22.4 14.9 9 12 A V - 0 0 67 -2,-0.3 3,-0.1 1,-0.1 243,-0.1 -0.615 25.9-113.3 -83.1 137.9 37.5 -18.9 16.3 10 13 A P - 0 0 35 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.326 34.4-101.1 -64.6 148.6 39.3 -18.5 19.6 11 14 A Q - 0 0 173 2,-0.0 2,-0.5 240,-0.0 240,-0.0 -0.548 37.8-155.3 -66.0 136.0 37.3 -17.2 22.7 12 15 A I - 0 0 11 -2,-0.2 2,-2.3 2,-0.1 236,-0.0 -0.981 13.2-139.7-122.9 122.5 38.1 -13.5 23.2 13 16 A D S S+ 0 0 58 -2,-0.5 227,-2.1 231,-0.1 228,-0.4 -0.393 70.2 90.7 -82.4 64.0 37.6 -12.1 26.7 14 17 A A E S-A 239 0A 1 -2,-2.3 225,-0.3 225,-0.3 224,-0.2 -0.974 82.2-114.0-153.6 159.9 36.1 -8.8 25.5 15 18 A E E S- 0 0 77 223,-0.9 2,-0.3 222,-0.6 223,-0.2 0.844 96.4 -0.6 -67.9 -36.6 32.7 -7.2 24.8 16 19 A S E +A 237 0A 1 221,-2.1 221,-2.8 17,-0.1 2,-0.3 -0.998 64.0 167.6-153.6 156.4 33.4 -6.8 21.1 17 20 A Y E -AB 236 31A 15 14,-2.1 14,-2.4 -2,-0.3 2,-0.3 -0.989 10.7-168.6-159.4 161.4 36.1 -7.5 18.5 18 21 A I E -AB 235 30A 0 217,-2.1 217,-2.4 -2,-0.3 2,-0.4 -0.981 6.8-159.8-150.2 151.5 36.8 -7.7 14.8 19 22 A L E +AB 234 29A 0 10,-2.3 9,-2.8 -2,-0.3 10,-1.1 -0.990 22.2 172.5-131.1 121.4 39.7 -8.9 12.8 20 23 A I E -AB 233 27A 6 213,-2.8 213,-2.6 -2,-0.4 2,-0.5 -0.916 35.9-114.8-127.2 160.1 40.1 -7.7 9.2 21 24 A D E > -A 232 0A 0 5,-2.4 4,-2.3 -2,-0.3 211,-0.2 -0.809 23.2-146.0 -90.5 126.1 42.6 -7.9 6.4 22 25 A Y T 4 S+ 0 0 42 209,-2.5 -1,-0.1 -2,-0.5 210,-0.1 0.874 94.0 39.2 -58.1 -43.5 44.1 -4.4 5.7 23 26 A N T 4 S+ 0 0 55 208,-0.5 271,-0.2 1,-0.1 -1,-0.2 0.881 127.1 28.9 -79.3 -43.8 44.4 -4.9 1.9 24 27 A S T 4 S- 0 0 28 2,-0.1 -2,-0.2 269,-0.1 -1,-0.1 0.652 91.7-133.0 -89.3 -20.1 41.2 -6.9 1.0 25 28 A G < + 0 0 37 -4,-2.3 -3,-0.1 1,-0.2 270,-0.1 0.449 49.6 158.9 75.6 -0.5 38.9 -5.5 3.8 26 29 A K - 0 0 92 -6,-0.1 -5,-2.4 -5,-0.1 2,-0.7 -0.313 40.7-134.5 -56.9 131.6 37.9 -9.1 4.4 27 30 A V E -B 20 0A 45 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.839 23.6-179.1 -87.4 114.7 36.4 -9.7 7.9 28 31 A L E - 0 0 19 -9,-2.8 2,-0.3 -2,-0.7 -8,-0.2 0.816 67.0 -6.8 -85.1 -34.2 38.0 -12.8 9.3 29 32 A A E +B 19 0A 8 -10,-1.1 -10,-2.3 -20,-0.0 -1,-0.3 -0.966 66.7 174.5-159.3 150.3 36.2 -13.0 12.6 30 33 A E E -B 18 0A 95 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.982 13.7-176.1-159.9 147.8 33.8 -10.7 14.5 31 34 A Q E S-B 17 0A 85 -14,-2.4 -14,-2.1 -2,-0.3 128,-0.1 -0.912 83.2 -19.0-146.3 121.6 31.6 -10.5 17.6 32 35 A N S > S+ 0 0 88 -2,-0.3 3,-1.4 -16,-0.2 127,-0.4 0.839 81.2 160.0 56.4 33.9 29.4 -7.6 18.4 33 36 A A T 3 + 0 0 3 1,-0.3 127,-2.6 -16,-0.2 128,-0.5 0.707 68.6 44.4 -68.6 -19.1 31.5 -5.6 15.9 34 37 A D T 3 S+ 0 0 69 125,-0.2 2,-0.3 124,-0.1 -1,-0.3 0.396 81.4 121.7-104.9 1.9 28.8 -2.9 15.3 35 38 A V < - 0 0 75 -3,-1.4 124,-0.4 1,-0.1 2,-0.3 -0.504 67.6-120.0 -65.8 128.9 27.8 -2.4 19.0 36 39 A R + 0 0 131 -2,-0.3 2,-0.3 122,-0.1 122,-0.2 -0.571 45.3 163.0 -77.1 127.3 28.3 1.2 20.1 37 40 A R B -E 157 0B 48 120,-2.9 120,-2.1 -2,-0.3 180,-0.1 -0.899 47.3 -81.4-140.1 162.7 30.7 1.5 22.9 38 41 A D - 0 0 39 178,-0.3 200,-0.2 -2,-0.3 118,-0.1 -0.555 37.2-157.9 -66.0 124.0 32.9 4.1 24.7 39 42 A P > - 0 0 0 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.679 15.5-176.9 -84.0 -14.0 36.0 4.5 22.6 40 43 A A G > S- 0 0 0 1,-0.2 3,-2.1 109,-0.2 4,-0.2 -0.195 72.3 -10.5 48.3-142.9 38.4 6.0 25.2 41 44 A S G > S+ 0 0 12 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.540 117.8 85.9 -66.0 -5.3 41.9 6.8 23.6 42 45 A L G X> S+ 0 0 0 -3,-2.0 3,-1.6 1,-0.3 4,-0.6 0.792 76.7 73.0 -61.3 -24.8 41.0 5.0 20.4 43 46 A T H X> S+ 0 0 0 -3,-2.1 4,-1.5 1,-0.3 3,-1.5 0.865 83.0 68.7 -50.4 -34.7 39.4 8.5 19.7 44 47 A K H <> S+ 0 0 0 -3,-1.5 4,-3.0 104,-0.4 -1,-0.3 0.687 84.2 67.8 -69.0 -20.6 43.0 9.6 19.3 45 48 A M H <> S+ 0 0 0 -3,-1.6 4,-1.9 -4,-0.3 -1,-0.3 0.863 105.0 44.4 -58.6 -38.7 43.4 7.6 16.1 46 49 A M H S+ 0 0 20 -4,-2.3 5,-2.4 1,-0.2 6,-0.3 0.942 112.8 45.8 -63.3 -44.2 46.5 18.4 7.5 55 58 A M H ><5S+ 0 0 35 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.927 109.5 53.3 -63.4 -42.7 50.2 17.5 7.2 56 59 A K H 3<5S+ 0 0 137 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.828 109.1 51.0 -59.8 -32.6 49.8 15.6 4.0 57 60 A A T 3<5S- 0 0 60 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.461 118.5-117.3 -82.1 -6.6 48.0 18.7 2.6 58 61 A G T < 5S+ 0 0 59 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.640 70.5 137.5 80.6 21.3 51.0 20.8 3.8 59 62 A K S - 0 0 130 -2,-0.3 3,-1.9 -3,-0.1 35,-0.4 -0.845 31.3-102.2-129.5 162.8 55.2 20.6 9.2 62 65 A E T 3 S+ 0 0 68 -2,-0.3 35,-2.8 1,-0.3 36,-0.3 0.768 118.4 52.3 -56.6 -28.7 56.8 18.5 11.9 63 66 A T T 3 S+ 0 0 103 33,-0.2 -1,-0.3 32,-0.2 2,-0.1 0.594 81.3 113.6 -85.0 -11.1 59.3 21.3 12.7 64 67 A D < - 0 0 59 -3,-1.9 32,-2.4 31,-0.1 2,-0.4 -0.386 67.8-125.2 -64.6 135.8 56.7 24.1 13.2 65 68 A L E -F 95 0C 90 30,-0.2 2,-0.5 31,-0.1 -1,-0.1 -0.702 17.0-153.8 -86.6 132.2 56.5 25.3 16.8 66 69 A V E -F 94 0C 3 28,-2.8 28,-2.4 -2,-0.4 2,-0.6 -0.912 11.1-139.6-104.7 127.1 53.1 25.3 18.5 67 70 A T E -F 93 0C 89 -2,-0.5 2,-0.3 26,-0.2 26,-0.2 -0.761 24.3-125.4 -91.4 122.4 52.6 27.8 21.3 68 71 A I - 0 0 6 24,-2.8 23,-2.6 -2,-0.6 2,-0.1 -0.540 26.4-157.5 -74.7 126.4 50.7 26.2 24.1 69 72 A G > - 0 0 35 -2,-0.3 3,-1.8 21,-0.2 4,-0.3 -0.457 34.0 -93.5 -95.8 173.7 47.5 28.0 25.2 70 73 A N G > S+ 0 0 89 1,-0.3 3,-1.5 2,-0.2 6,-0.2 0.823 119.2 61.4 -55.3 -38.3 45.5 27.9 28.5 71 74 A D G 3 S+ 0 0 81 1,-0.3 -1,-0.3 42,-0.1 42,-0.1 0.643 105.4 47.7 -67.4 -16.7 43.2 25.1 27.4 72 75 A A G < S+ 0 0 2 -3,-1.8 2,-0.8 41,-0.1 16,-0.3 0.305 78.4 121.7-106.2 5.3 46.1 22.6 26.9 73 76 A W X - 0 0 81 -3,-1.5 3,-1.6 -4,-0.3 4,-0.3 -0.610 55.3-152.8 -71.9 108.4 47.6 23.5 30.3 74 77 A A G > S+ 0 0 5 14,-1.8 3,-0.7 -2,-0.8 6,-0.3 0.904 91.4 34.8 -54.3 -49.3 47.6 20.0 31.9 75 78 A T G 3 S+ 0 0 87 13,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.252 108.5 68.0 -94.4 12.4 47.4 21.3 35.5 76 79 A G G < S+ 0 0 24 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.294 97.5 53.6-106.1 6.2 45.2 24.2 34.7 77 80 A N X - 0 0 36 -3,-0.7 3,-2.8 -4,-0.3 -1,-0.2 -0.799 65.5-157.7-149.5 92.4 42.1 22.2 33.7 78 81 A P G > S+ 0 0 113 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.596 86.0 82.2 -52.9 -12.2 40.8 19.5 36.2 79 82 A V G 3 S+ 0 0 94 1,-0.3 -5,-0.1 3,-0.0 0, 0.0 0.814 87.2 59.5 -57.5 -25.8 39.1 17.7 33.3 80 83 A F G X S+ 0 0 4 -3,-2.8 3,-2.3 -6,-0.3 -1,-0.3 0.408 75.0 135.7 -85.3 0.8 42.6 16.2 32.8 81 84 A K T < S- 0 0 184 -3,-2.0 3,-0.1 1,-0.3 -6,-0.0 -0.325 80.8 -0.1 -56.5 122.4 42.7 14.7 36.3 82 85 A G T 3 S+ 0 0 87 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.566 105.6 125.9 77.0 10.0 44.0 11.1 36.1 83 86 A S S < S- 0 0 25 -3,-2.3 2,-0.4 1,-0.1 -1,-0.3 -0.518 73.4 -89.9 -98.4 166.9 44.6 11.3 32.4 84 87 A S + 0 0 24 23,-0.3 25,-3.0 -2,-0.2 26,-0.3 -0.658 60.0 175.8 -72.5 128.7 47.6 10.6 30.3 85 88 A L - 0 0 17 -2,-0.4 23,-0.1 23,-0.3 22,-0.0 -0.997 47.3-153.4-147.1 134.2 49.5 14.0 29.9 86 89 A M - 0 0 12 -2,-0.3 -1,-0.1 13,-0.0 22,-0.0 0.642 50.9-124.9 -68.9 -16.9 52.6 15.7 28.6 87 90 A F - 0 0 108 1,-0.1 2,-0.1 -15,-0.1 -14,-0.1 0.932 40.7-174.9 60.2 48.8 52.2 18.3 31.3 88 91 A L - 0 0 0 -16,-0.3 -14,-1.8 4,-0.0 -13,-0.4 -0.393 7.1-157.1 -63.4 148.1 52.2 21.1 28.8 89 92 A K > - 0 0 87 -16,-0.2 3,-1.8 -15,-0.1 -21,-0.3 -0.956 29.2 -88.6-129.2 152.2 52.1 24.6 30.2 90 93 A P T 3 S+ 0 0 60 0, 0.0 -21,-0.2 0, 0.0 3,-0.1 -0.278 112.0 27.5 -60.4 139.5 51.0 27.9 28.6 91 94 A G T 3 S+ 0 0 51 -23,-2.6 -22,-0.1 1,-0.4 -21,-0.0 0.185 84.4 131.9 94.2 -19.2 53.7 29.7 26.7 92 95 A M < - 0 0 44 -3,-1.8 -24,-2.8 -24,-0.1 2,-0.5 -0.377 49.1-146.6 -59.3 146.6 55.7 26.5 25.9 93 96 A Q E +F 67 0C 125 -26,-0.2 -26,-0.2 -3,-0.1 -1,-0.1 -0.945 24.8 178.7-119.4 105.1 56.7 26.4 22.2 94 97 A V E -F 66 0C 4 -28,-2.4 -28,-2.8 -2,-0.5 5,-0.0 -0.909 29.6-115.6-115.4 130.5 56.7 22.7 21.2 95 98 A P E >> -F 65 0C 39 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.315 24.7-121.8 -58.4 144.1 57.5 21.3 17.8 96 99 A V H 3> S+ 0 0 0 -32,-2.4 4,-3.0 -35,-0.4 5,-0.3 0.891 113.1 63.6 -47.3 -43.5 54.6 19.5 16.0 97 100 A S H 3> S+ 0 0 29 -35,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.854 105.1 44.5 -54.2 -37.1 56.8 16.4 15.9 98 101 A Q H <> S+ 0 0 44 -3,-0.9 4,-1.9 -36,-0.3 -1,-0.2 0.884 112.9 49.6 -77.2 -40.4 56.9 16.3 19.7 99 102 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.907 109.1 51.4 -68.2 -37.4 53.2 16.9 20.2 100 103 A I H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.845 110.7 48.6 -71.6 -29.8 52.2 14.2 17.7 101 104 A R H X>S+ 0 0 38 -4,-1.2 4,-2.1 -5,-0.3 5,-1.3 0.852 107.3 56.3 -71.8 -32.5 54.4 11.7 19.5 102 105 A G H <5S+ 0 0 0 -4,-1.9 6,-2.8 3,-0.2 4,-0.3 0.926 115.5 38.8 -60.9 -39.5 52.8 12.9 22.7 103 106 A I H X5S+ 0 0 0 -4,-2.2 4,-1.1 4,-0.3 -2,-0.2 0.961 124.7 36.4 -72.0 -53.6 49.5 11.9 21.1 104 107 A N H <5S+ 0 0 1 -4,-3.1 -3,-0.2 2,-0.2 -2,-0.2 0.910 129.1 27.4 -74.3 -46.6 50.5 8.8 19.3 105 108 A L T <5S+ 0 0 2 -4,-2.1 90,-2.3 -5,-0.2 91,-0.2 0.920 136.9 23.5 -78.9 -45.8 53.0 7.2 21.7 106 109 A Q T 4 - 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