==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTIC 12-MAY-10 3MZE . COMPND 2 MOLECULE: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE DACA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.NICOLA,J.TOMBERG,R.F.PRATT,R.A.NICHOLAS,C.DAVIES . 352 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16846.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 24.1 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 0.9 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 . 22 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 4 1 1 3 1 1 1 3 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 . 4 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 0 175 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -41.7 37.6 -32.0 4.3 2 5 A I T 4 + 0 0 148 2,-0.2 3,-0.4 1,-0.1 0, 0.0 0.902 360.0 48.2 -71.3 -42.4 41.1 -30.7 5.2 3 6 A K T 4 S+ 0 0 109 1,-0.2 -1,-0.1 297,-0.0 298,-0.1 0.933 121.2 35.7 -59.8 -47.0 41.3 -28.5 2.0 4 7 A T T 4 S+ 0 0 75 2,-0.1 -1,-0.2 330,-0.0 -2,-0.2 0.421 87.2 132.3 -92.4 -1.7 37.8 -27.0 2.5 5 8 A M < - 0 0 92 -4,-0.7 -3,-0.1 -3,-0.4 0, 0.0 -0.106 49.0-142.2 -54.6 146.4 37.7 -26.8 6.3 6 9 A I - 0 0 155 292,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.969 26.1-124.9-109.6 118.1 36.5 -23.6 8.0 7 10 A P - 0 0 24 0, 0.0 2,-0.2 0, 0.0 252,-0.0 -0.276 19.1-117.1 -65.8 147.0 38.6 -22.9 11.2 8 11 A G - 0 0 63 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.570 28.3-123.2 -76.4 147.5 37.0 -22.3 14.5 9 12 A V - 0 0 62 -2,-0.2 3,-0.1 1,-0.1 243,-0.1 -0.741 25.6-113.9 -91.0 137.9 37.5 -18.9 16.1 10 13 A P - 0 0 40 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.284 36.0 -99.1 -63.0 158.0 39.0 -18.7 19.6 11 14 A Q - 0 0 164 2,-0.0 2,-0.5 240,-0.0 240,-0.0 -0.631 39.0-151.9 -76.3 134.0 36.9 -17.4 22.5 12 15 A I - 0 0 8 -2,-0.3 2,-1.9 2,-0.1 236,-0.0 -0.966 12.4-138.7-119.1 122.1 37.6 -13.7 23.1 13 16 A D S S+ 0 0 87 -2,-0.5 227,-0.7 231,-0.1 2,-0.3 -0.552 70.7 91.2 -77.0 77.0 37.2 -12.3 26.6 14 17 A A E S-A 239 0A 4 -2,-1.9 225,-0.2 225,-0.2 224,-0.2 -0.976 81.0-116.2-167.6 152.3 35.6 -9.0 25.4 15 18 A E E S- 0 0 86 223,-1.1 2,-0.3 222,-0.7 223,-0.2 0.865 96.0 -1.3 -65.5 -39.9 32.3 -7.3 24.6 16 19 A S E +A 237 0A 0 221,-1.9 221,-2.4 17,-0.1 2,-0.3 -0.983 64.7 164.0-147.4 159.5 33.1 -6.9 20.9 17 20 A Y E -AB 236 31A 15 14,-2.4 14,-2.4 -2,-0.3 2,-0.3 -0.980 12.3-167.1-163.2 166.8 35.8 -7.5 18.3 18 21 A I E -AB 235 30A 1 217,-1.7 217,-1.7 -2,-0.3 2,-0.4 -0.960 6.7-159.0-150.7 154.7 36.6 -7.7 14.7 19 22 A L E +AB 234 29A 0 10,-2.3 9,-2.2 -2,-0.3 10,-1.3 -0.974 22.3 173.2-134.9 127.2 39.6 -8.9 12.7 20 23 A I E -AB 233 27A 5 213,-2.6 213,-2.3 -2,-0.4 2,-0.4 -0.946 36.5-114.8-132.9 153.4 40.1 -7.7 9.2 21 24 A D E > -A 232 0A 0 5,-2.4 4,-1.3 -2,-0.3 211,-0.2 -0.737 24.1-148.0 -78.6 134.5 42.6 -7.9 6.4 22 25 A Y T 4 S+ 0 0 41 209,-2.5 -1,-0.1 -2,-0.4 210,-0.1 0.877 93.6 40.9 -70.0 -41.5 44.0 -4.4 5.7 23 26 A N T 4 S+ 0 0 52 208,-0.5 271,-0.2 1,-0.1 -1,-0.1 0.936 127.7 27.8 -76.9 -46.0 44.5 -4.9 2.0 24 27 A S T 4 S- 0 0 28 2,-0.1 -2,-0.2 269,-0.1 -1,-0.1 0.754 91.9-133.8 -87.7 -31.4 41.4 -6.8 1.1 25 28 A G < + 0 0 36 -4,-1.3 -3,-0.1 1,-0.3 270,-0.1 0.336 49.6 154.2 89.9 -7.4 39.0 -5.6 3.8 26 29 A K - 0 0 97 -6,-0.1 -5,-2.4 1,-0.1 2,-0.8 -0.305 45.5-132.3 -58.2 130.5 37.8 -9.1 4.5 27 30 A V E -B 20 0A 41 -7,-0.2 -7,-0.3 1,-0.2 3,-0.1 -0.800 23.8-177.6 -82.6 108.5 36.4 -9.7 8.0 28 31 A L E S- 0 0 18 -9,-2.2 2,-0.3 -2,-0.8 -1,-0.2 0.826 71.1 -3.9 -77.9 -32.4 38.2 -12.9 9.1 29 32 A A E +B 19 0A 7 -10,-1.3 -10,-2.3 -3,-0.1 -1,-0.3 -0.966 68.1 175.4-159.0 146.5 36.3 -12.9 12.5 30 33 A E E -B 18 0A 91 -2,-0.3 2,-0.3 -12,-0.3 -12,-0.2 -0.989 12.2-175.7-154.0 144.4 33.8 -10.7 14.3 31 34 A Q E S-B 17 0A 63 -14,-2.4 -14,-2.4 -2,-0.3 128,-0.1 -0.931 82.5 -19.9-142.0 122.0 31.6 -10.6 17.5 32 35 A N S > S+ 0 0 87 -2,-0.3 3,-0.6 -16,-0.2 127,-0.4 0.890 83.3 162.3 53.4 47.3 29.2 -7.7 18.2 33 36 A A T 3 + 0 0 4 1,-0.2 127,-3.2 126,-0.1 128,-0.4 0.602 66.5 40.3 -81.3 -18.4 31.2 -5.6 15.7 34 37 A D T 3 S+ 0 0 70 125,-0.2 -1,-0.2 126,-0.1 -2,-0.1 0.360 83.6 122.5-108.6 -3.2 28.6 -2.8 15.0 35 38 A V < - 0 0 72 -3,-0.6 2,-0.5 1,-0.1 124,-0.4 -0.395 69.4-114.9 -60.2 135.4 27.4 -2.5 18.6 36 39 A R + 0 0 131 122,-0.1 2,-0.3 120,-0.1 122,-0.2 -0.665 46.4 165.5 -79.3 123.3 27.9 1.1 19.9 37 40 A R B -E 157 0B 45 120,-3.3 120,-2.5 -2,-0.5 180,-0.1 -0.897 46.8 -91.5-131.7 160.3 30.4 1.4 22.7 38 41 A D - 0 0 37 -2,-0.3 200,-0.2 118,-0.2 118,-0.1 -0.653 33.9-159.8 -68.7 118.5 32.4 4.1 24.4 39 42 A P > - 0 0 0 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.561 16.2-174.0 -79.6 -9.5 35.7 4.3 22.5 40 43 A A G > S- 0 0 5 1,-0.3 3,-1.6 109,-0.2 4,-0.1 -0.224 71.1 -5.3 45.6-131.8 37.7 6.0 25.3 41 44 A S G > S+ 0 0 27 1,-0.3 3,-2.5 2,-0.2 -1,-0.3 0.609 115.5 85.4 -63.7 -16.8 41.2 6.9 24.0 42 45 A L G X S+ 0 0 0 -3,-2.2 3,-1.4 1,-0.3 4,-0.4 0.689 75.1 77.5 -60.6 -16.9 40.7 5.1 20.6 43 46 A T G X> S+ 0 0 0 -3,-1.6 4,-1.5 1,-0.2 3,-1.4 0.815 79.6 68.4 -52.2 -35.0 39.1 8.6 19.8 44 47 A K H <> S+ 0 0 0 -3,-2.5 4,-2.5 104,-0.4 -1,-0.2 0.621 84.2 70.6 -68.1 -13.7 42.7 9.8 19.5 45 48 A M H <> S+ 0 0 0 -3,-1.4 4,-1.3 -4,-0.2 -1,-0.3 0.822 103.1 42.1 -67.6 -34.8 43.0 7.7 16.3 46 49 A M H <> S+ 0 0 0 -3,-1.4 4,-2.8 -4,-0.4 -2,-0.2 0.872 112.0 53.8 -77.2 -38.7 40.7 10.1 14.6 47 50 A T H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.956 112.5 45.3 -54.1 -51.1 42.5 13.1 16.2 48 51 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.839 110.5 54.6 -60.6 -37.9 45.7 11.7 14.7 49 52 A Y H X S+ 0 0 5 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.949 109.0 46.5 -62.0 -51.7 44.0 11.1 11.4 50 53 A V H X S+ 0 0 7 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.956 114.8 47.8 -55.1 -51.6 42.8 14.7 11.1 51 54 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.871 111.4 50.9 -57.6 -40.9 46.3 15.9 12.1 52 55 A G H X S+ 0 0 6 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.864 109.9 49.6 -64.1 -38.9 47.9 13.5 9.5 53 56 A Q H X S+ 0 0 35 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.884 109.3 52.0 -66.7 -38.0 45.6 14.8 6.8 54 57 A A H <>S+ 0 0 15 -4,-2.2 5,-2.3 1,-0.2 6,-0.3 0.918 111.2 46.7 -65.7 -43.4 46.5 18.4 7.6 55 58 A M H ><5S+ 0 0 49 -4,-2.0 3,-0.6 3,-0.2 -1,-0.2 0.801 108.6 56.3 -66.8 -31.6 50.2 17.6 7.4 56 59 A K H 3<5S+ 0 0 136 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.873 106.3 49.0 -68.7 -40.4 49.6 15.8 4.1 57 60 A A T 3<5S- 0 0 75 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.481 119.5-117.2 -74.4 -4.2 48.0 18.9 2.6 58 61 A G T < 5S+ 0 0 58 -3,-0.6 -3,-0.2 2,-0.2 -2,-0.1 0.662 70.7 138.6 78.2 20.8 51.1 20.8 3.9 59 62 A K S - 0 0 122 -2,-0.3 3,-1.1 -3,-0.1 35,-0.4 -0.854 31.2-100.5-133.7 170.6 55.0 20.3 9.7 62 65 A E T 3 S+ 0 0 107 1,-0.3 35,-2.6 -2,-0.3 34,-0.5 0.800 118.9 52.1 -61.5 -36.4 56.7 18.4 12.5 63 66 A T T 3 S+ 0 0 94 32,-0.2 -1,-0.3 33,-0.2 0, 0.0 0.694 84.9 111.3 -73.5 -21.1 59.3 21.0 13.2 64 67 A D < - 0 0 58 -3,-1.1 32,-1.9 31,-0.1 2,-0.4 -0.220 69.3-123.0 -57.3 143.3 56.7 23.8 13.5 65 68 A L E -F 95 0C 93 30,-0.2 2,-0.6 31,-0.1 -1,-0.1 -0.774 16.6-156.5 -97.7 132.3 56.3 25.3 16.9 66 69 A V E -F 94 0C 4 28,-2.9 28,-2.7 -2,-0.4 2,-0.5 -0.928 11.6-143.5-105.7 118.3 53.0 25.3 18.7 67 70 A T E -F 93 0C 90 -2,-0.6 26,-0.2 26,-0.3 2,-0.2 -0.706 25.2-128.0 -77.9 122.8 52.6 28.0 21.4 68 71 A I - 0 0 4 24,-2.8 23,-2.9 -2,-0.5 2,-0.2 -0.536 28.2-166.5 -74.2 138.9 50.5 26.4 24.2 69 72 A G > - 0 0 37 21,-0.2 3,-0.9 -2,-0.2 4,-0.2 -0.509 37.5 -81.7-114.9-169.9 47.4 28.3 25.4 70 73 A N G > S+ 0 0 103 1,-0.3 3,-0.6 2,-0.2 6,-0.1 0.728 120.4 57.1 -72.1 -29.3 45.1 28.1 28.4 71 74 A D G 3 S+ 0 0 84 1,-0.2 -1,-0.3 42,-0.1 42,-0.1 0.718 109.4 48.1 -72.6 -22.3 42.7 25.3 27.2 72 75 A A G < S+ 0 0 0 -3,-0.9 2,-0.6 41,-0.1 16,-0.3 0.357 79.6 120.3-101.1 2.4 45.8 23.0 26.8 73 76 A W X - 0 0 86 -3,-0.6 3,-1.1 -4,-0.2 4,-0.4 -0.592 56.0-152.3 -69.0 112.1 47.1 23.9 30.3 74 77 A A G > S+ 0 0 5 14,-2.0 3,-0.8 -2,-0.6 6,-0.3 0.911 91.1 33.6 -61.8 -48.4 47.1 20.4 32.0 75 78 A T G 3 S+ 0 0 95 13,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.255 108.2 70.2 -93.1 12.4 46.6 21.6 35.6 76 79 A G G < S+ 0 0 27 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.432 98.5 52.7-101.7 -2.9 44.5 24.5 34.6 77 80 A N X - 0 0 42 -3,-0.8 3,-2.6 -4,-0.4 -1,-0.2 -0.811 63.3-164.3-138.3 92.2 41.6 22.2 33.6 78 81 A P G > S+ 0 0 110 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.590 83.6 83.3 -52.2 -13.6 40.4 19.6 36.2 79 82 A V G 3 S+ 0 0 68 1,-0.3 72,-0.1 3,-0.0 4,-0.1 0.884 86.3 59.4 -52.0 -36.5 38.6 17.8 33.2 80 83 A F G X S+ 0 0 5 -3,-2.6 3,-0.8 -6,-0.3 2,-0.3 0.227 78.9 137.2 -76.0 11.9 42.1 16.3 32.7 81 84 A K T < S- 0 0 181 -3,-1.6 3,-0.1 1,-0.2 -6,-0.0 -0.477 75.7 -0.2 -79.7 129.3 42.2 14.7 36.2 82 85 A G T 3 S+ 0 0 90 1,-0.3 -1,-0.2 -2,-0.3 -2,-0.1 0.147 110.6 113.7 82.2 -17.7 43.6 11.1 36.6 83 86 A S S < S- 0 0 33 -3,-0.8 2,-0.4 1,-0.1 -1,-0.3 -0.203 80.0 -86.3 -77.3 170.1 44.1 11.1 32.8 84 87 A S + 0 0 20 23,-0.4 25,-2.7 -3,-0.1 2,-0.3 -0.700 54.4 174.2 -83.2 130.2 47.4 11.0 30.8 85 88 A L - 0 0 16 -2,-0.4 23,-0.1 23,-0.3 -3,-0.0 -0.988 42.0-146.5-140.7 142.9 48.9 14.4 30.3 86 89 A M - 0 0 9 -2,-0.3 -1,-0.1 13,-0.0 22,-0.0 0.592 50.5-121.3 -76.1 -12.3 52.2 16.0 28.9 87 90 A F - 0 0 123 1,-0.2 2,-0.2 -15,-0.1 -14,-0.1 0.933 41.3-173.3 61.6 51.4 51.8 18.7 31.6 88 91 A L - 0 0 0 -16,-0.3 -14,-2.0 4,-0.0 -13,-0.4 -0.489 6.1-159.7 -70.5 140.5 51.7 21.5 29.0 89 92 A K > - 0 0 129 -16,-0.2 3,-1.7 -2,-0.2 -21,-0.3 -0.954 30.1 -93.3-123.1 144.7 51.8 25.0 30.5 90 93 A P T 3 S+ 0 0 55 0, 0.0 -21,-0.2 0, 0.0 3,-0.1 -0.281 111.0 31.5 -57.6 141.2 50.6 28.2 28.7 91 94 A G T 3 S+ 0 0 50 -23,-2.9 -22,-0.1 1,-0.4 -21,-0.0 -0.067 85.7 130.6 101.5 -32.3 53.4 30.0 26.8 92 95 A M < - 0 0 44 -3,-1.7 -24,-2.8 -25,-0.1 2,-0.5 -0.118 49.5-146.3 -51.2 149.2 55.4 26.8 26.1 93 96 A Q E +F 67 0C 124 -26,-0.2 -26,-0.3 -3,-0.1 -1,-0.1 -0.939 23.5 179.8-125.1 106.1 56.5 26.4 22.4 94 97 A V E -F 66 0C 5 -28,-2.7 -28,-2.9 -2,-0.5 5,-0.1 -0.916 28.7-117.9-116.9 131.5 56.5 22.8 21.5 95 98 A P E >> -F 65 0C 28 0, 0.0 4,-1.3 0, 0.0 3,-0.9 -0.282 26.5-120.7 -59.8 147.4 57.4 21.2 18.1 96 99 A V H >> S+ 0 0 0 -32,-1.9 4,-3.0 -34,-0.5 3,-0.7 0.925 111.4 66.1 -55.7 -44.8 54.5 19.4 16.4 97 100 A S H 3> S+ 0 0 30 -35,-2.6 4,-0.8 1,-0.3 -1,-0.2 0.794 104.1 43.9 -43.2 -40.4 56.7 16.2 16.5 98 101 A Q H <> S+ 0 0 57 -3,-0.9 4,-2.0 -36,-0.3 -1,-0.3 0.780 113.1 50.9 -82.9 -29.2 56.5 16.1 20.3 99 102 A L H S+ 0 0 46 -4,-0.8 4,-2.6 -5,-0.4 5,-1.2 0.898 106.3 53.1 -81.9 -42.0 54.0 11.8 20.0 102 105 A G H <5S+ 0 0 0 -4,-2.0 6,-3.2 3,-0.2 5,-0.4 0.896 115.8 43.2 -46.8 -45.0 52.3 12.8 23.2 103 106 A I H X5S+ 0 0 0 -4,-2.0 4,-1.3 4,-0.3 -2,-0.2 0.988 123.3 33.1 -65.9 -56.4 49.0 12.0 21.4 104 107 A N H <5S+ 0 0 2 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.875 129.6 28.1 -78.1 -43.0 50.1 8.7 19.7 105 108 A L T <5S+ 0 0 2 -4,-2.6 90,-2.2 -5,-0.2 91,-0.2 0.901 135.2 25.1 -84.0 -41.8 52.5 7.1 22.2 106 109 A Q T 4 - 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