==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-NOV-09 3KI9 . COMPND 2 MOLECULE: PUTATIVE DIPEPTIDASE SACOL1801; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR T.S.GIRISH,B.GOPAL . 467 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 18.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 3 0.6 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 . 30 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.9 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 1 0 2 0 0 1 2 2 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 0 0 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 PARALLEL BRIDGES PER LADDER . 3 3 1 1 2 3 2 1 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 1 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 0 A S > 0 0 107 0, 0.0 4,-1.8 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 163.6 26.6 -23.3 2.7 2 1 A M H > + 0 0 99 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.881 360.0 48.1 -51.9 -40.1 28.6 -20.2 1.7 3 2 A W H > S+ 0 0 26 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.927 106.4 51.5 -74.2 -48.7 31.8 -22.1 2.5 4 3 A K H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 111.9 48.7 -57.6 -42.5 31.2 -25.3 0.6 5 4 A E H X S+ 0 0 50 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.956 109.7 52.0 -61.5 -50.3 30.4 -23.5 -2.5 6 5 A K H >< S+ 0 0 61 -4,-1.8 3,-1.3 -5,-0.3 -2,-0.2 0.955 111.4 47.7 -48.6 -56.6 33.5 -21.3 -2.2 7 6 A V H >X S+ 0 0 3 -4,-2.7 3,-4.4 1,-0.3 4,-0.5 0.928 101.6 60.7 -52.6 -54.8 35.7 -24.3 -1.8 8 7 A Q H >< S+ 0 0 94 -4,-2.5 3,-1.5 1,-0.3 4,-0.3 0.816 93.9 69.4 -44.5 -30.1 34.2 -26.3 -4.8 9 8 A Q T << S+ 0 0 131 -3,-1.3 -1,-0.3 -4,-1.2 -2,-0.2 0.599 105.8 38.3 -68.3 -8.9 35.5 -23.3 -6.8 10 9 A Y T X> S+ 0 0 32 -3,-4.4 4,-2.3 -4,-0.2 3,-1.1 0.301 77.7 118.0-118.3 1.6 39.0 -24.5 -6.0 11 10 A E H S+ 0 0 120 -4,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.831 108.7 51.6 -75.7 -32.6 40.9 -28.5 -9.2 13 12 A Q H <> S+ 0 0 77 -3,-1.1 4,-2.7 2,-0.2 5,-0.3 0.942 110.1 51.2 -67.8 -43.4 43.7 -26.5 -7.6 14 13 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.917 108.4 50.0 -61.9 -41.3 43.6 -28.6 -4.6 15 14 A I H X S+ 0 0 10 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.944 112.2 47.8 -65.9 -42.9 43.8 -31.8 -6.5 16 15 A N H X S+ 0 0 91 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.952 112.9 46.0 -60.1 -52.1 46.8 -30.6 -8.4 17 16 A D H X S+ 0 0 9 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.936 113.6 50.1 -58.1 -46.6 48.7 -29.3 -5.5 18 17 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 -5,-0.3 5,-0.3 0.957 108.6 52.9 -55.3 -53.1 48.0 -32.5 -3.5 19 18 A K H X S+ 0 0 67 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.935 106.5 52.5 -45.1 -59.3 49.1 -34.7 -6.4 20 19 A G H < S+ 0 0 25 -4,-2.4 4,-0.2 1,-0.2 -1,-0.2 0.905 113.9 43.6 -42.0 -50.6 52.4 -32.9 -6.6 21 20 A L H >< S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.809 110.8 53.1 -73.9 -33.0 53.0 -33.5 -2.9 22 21 A L H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.820 99.9 65.5 -66.6 -31.4 51.8 -37.1 -3.0 23 22 A A T 3< S+ 0 0 54 -4,-2.4 2,-0.6 -5,-0.3 -1,-0.2 0.580 83.0 90.3 -71.1 -7.7 54.3 -37.8 -5.8 24 23 A I S < S- 0 0 18 -3,-0.8 2,-2.4 -4,-0.2 77,-0.0 -0.782 76.0-139.2 -95.3 118.7 57.3 -37.1 -3.5 25 24 A E + 0 0 122 -2,-0.6 2,-1.8 1,-0.1 17,-0.2 -0.412 31.2 172.1 -78.7 75.6 58.6 -40.1 -1.8 26 25 A S + 0 0 0 -2,-2.4 62,-1.9 16,-0.3 2,-0.4 -0.377 21.5 139.6 -86.1 59.9 59.2 -38.4 1.5 27 26 A V B -a 88 0A 23 -2,-1.8 15,-0.4 60,-0.2 62,-0.1 -0.880 61.2-103.0 -98.9 136.1 60.0 -41.5 3.5 28 27 A R + 0 0 34 60,-0.5 2,-0.3 -2,-0.4 12,-0.2 -0.259 40.1 179.2 -57.9 140.9 62.9 -41.1 6.0 29 28 A D > - 0 0 61 10,-2.0 3,-1.3 1,-0.1 4,-0.0 -0.813 14.3-172.9-149.1 102.8 66.2 -42.6 4.9 30 29 A D G > S+ 0 0 89 -2,-0.3 3,-0.9 1,-0.3 10,-0.1 0.669 81.0 72.5 -75.6 -16.3 69.1 -42.2 7.2 31 30 A A G 3 S+ 0 0 90 1,-0.2 -1,-0.3 8,-0.1 9,-0.1 0.719 106.2 38.0 -68.9 -20.3 71.5 -43.7 4.7 32 31 A K G < S+ 0 0 120 -3,-1.3 -1,-0.2 7,-0.1 8,-0.2 0.226 87.1 140.5-110.7 10.1 71.2 -40.4 2.7 33 32 A A < + 0 0 49 -3,-0.9 2,-0.3 6,-0.1 6,-0.1 -0.243 20.4 154.9 -56.2 140.5 71.1 -38.2 5.8 34 33 A S - 0 0 49 3,-1.6 3,-0.3 1,-0.1 6,-0.3 -0.955 60.8 -97.3-157.6 166.6 73.0 -34.9 5.4 35 34 A E S S+ 0 0 183 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.841 131.3 45.9 -57.8 -33.1 73.0 -31.4 6.9 36 35 A D S S+ 0 0 102 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.727 127.5 28.9 -78.0 -27.0 70.9 -30.5 3.8 37 36 A A S > S+ 0 0 10 -3,-0.3 3,-2.1 1,-0.1 -3,-1.6 -0.591 71.2 178.2-136.6 70.4 68.7 -33.6 4.2 38 37 A P T 3 S+ 0 0 31 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 0.798 89.9 19.9 -46.6 -40.0 68.7 -34.3 8.0 39 38 A V T 3 S- 0 0 2 1,-0.4 -10,-2.0 -6,-0.1 -6,-0.1 0.061 129.1 -77.0-121.6 22.7 66.3 -37.2 7.4 40 39 A G <> - 0 0 0 -3,-2.1 4,-1.5 -6,-0.3 -1,-0.4 -0.121 53.1 -65.1 106.4 161.1 66.9 -37.9 3.8 41 40 A P H > S+ 0 0 68 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.823 118.8 58.0 -46.8 -48.2 66.0 -36.6 0.3 42 41 A G H > S+ 0 0 11 -15,-0.4 4,-2.4 -17,-0.2 -16,-0.3 0.960 107.6 39.5 -57.3 -66.1 62.3 -37.3 0.4 43 42 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.884 115.7 54.7 -53.2 -41.8 61.1 -35.3 3.5 44 43 A R H X S+ 0 0 61 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.942 109.3 46.5 -57.4 -49.6 63.4 -32.5 2.5 45 44 A K H X S+ 0 0 137 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.879 109.6 53.9 -62.9 -40.0 61.9 -32.2 -0.9 46 45 A A H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.853 106.0 54.0 -63.0 -35.3 58.4 -32.4 0.4 47 46 A L H >X S+ 0 0 0 -4,-2.0 4,-1.1 -5,-0.2 3,-0.5 0.950 109.6 46.1 -63.2 -48.4 59.2 -29.5 2.7 48 47 A D H 3X S+ 0 0 46 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.812 103.6 63.5 -65.8 -31.5 60.4 -27.3 -0.1 49 48 A Y H 3X S+ 0 0 35 -4,-1.9 4,-1.8 1,-0.2 5,-0.3 0.876 103.3 49.4 -58.8 -38.0 57.3 -28.2 -2.2 50 49 A M H <>S+ 0 0 0 -4,-1.2 5,-1.8 -5,-0.3 3,-0.9 0.988 110.8 39.7 -50.5 -67.6 53.4 -21.0 -0.9 55 54 A H H ><5S+ 0 0 103 -4,-2.9 3,-3.5 1,-0.3 -2,-0.2 0.942 111.3 58.7 -47.7 -54.9 55.6 -18.5 -2.7 56 55 A R H 3<5S+ 0 0 130 -4,-3.7 -1,-0.3 1,-0.3 -2,-0.2 0.862 110.2 44.6 -41.0 -41.9 53.6 -19.1 -5.9 57 56 A D T <<5S- 0 0 33 -4,-2.1 -1,-0.3 -3,-0.9 -2,-0.2 0.342 123.7-105.3 -92.5 5.0 50.6 -17.9 -3.9 58 57 A G T < 5S+ 0 0 63 -3,-3.5 2,-0.3 -4,-0.3 -3,-0.2 0.410 71.7 138.8 92.0 -1.0 52.5 -15.0 -2.4 59 58 A F < - 0 0 12 -5,-1.8 2,-0.3 -6,-0.2 -1,-0.3 -0.583 50.8-125.5 -81.9 140.8 53.0 -16.3 1.2 60 59 A T E -B 72 0B 87 12,-0.7 12,-3.3 -2,-0.3 2,-0.3 -0.626 28.7-163.8 -79.4 137.9 56.3 -15.7 2.9 61 60 A T E -B 71 0B 27 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.815 12.2-158.8-121.0 163.5 58.1 -18.7 4.3 62 61 A H E -B 70 0B 79 8,-2.0 8,-2.5 -2,-0.3 2,-0.2 -0.966 11.8-154.9-143.9 127.4 60.8 -19.3 6.8 63 62 A D E -B 69 0B 43 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.559 4.4-156.3-101.2 161.6 63.0 -22.5 6.9 64 63 A V E >> S-B 68 0B 6 4,-1.6 3,-2.0 -2,-0.2 4,-1.2 -0.784 71.2 -44.7-144.3 95.1 64.9 -24.1 9.8 65 64 A D T 34 S- 0 0 89 -2,-0.3 4,-0.1 1,-0.3 95,-0.0 0.766 96.5 -79.9 54.9 30.6 67.8 -26.4 9.1 66 65 A H T 34 S+ 0 0 55 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.769 120.8 96.0 47.5 32.8 65.7 -28.1 6.4 67 66 A I T <4 S- 0 0 10 -3,-2.0 81,-1.0 1,-0.5 2,-0.3 0.620 96.3 -14.4-118.1 -26.5 64.0 -30.1 9.1 68 67 A A E < +BC 64 147B 0 -4,-1.2 -4,-1.6 79,-0.2 -1,-0.5 -0.972 62.9 168.7-164.3 168.4 61.0 -27.9 9.5 69 68 A G E -BC 63 146B 0 77,-1.6 77,-2.7 -2,-0.3 2,-0.3 -0.982 20.9-117.1-172.6 174.9 59.6 -24.5 8.6 70 69 A R E -BC 62 145B 30 -8,-2.5 -8,-2.0 -2,-0.3 2,-0.5 -0.824 6.8-140.1-124.8 166.8 56.6 -22.2 8.5 71 70 A I E -BC 61 144B 2 73,-1.2 73,-1.5 -2,-0.3 2,-0.4 -0.986 22.4-143.6-119.5 133.2 54.5 -20.3 6.2 72 71 A E E +BC 60 143B 66 -12,-3.3 -12,-0.7 -2,-0.5 71,-0.2 -0.800 35.4 145.6-103.8 137.5 53.3 -16.9 7.3 73 72 A A + 0 0 18 69,-1.1 -1,-0.1 -2,-0.4 70,-0.1 0.654 45.3 62.5-132.2 -52.6 49.8 -15.6 6.4 74 73 A G - 0 0 19 68,-0.3 67,-0.4 6,-0.1 2,-0.3 0.277 59.0-134.2 -81.0-165.2 48.1 -13.4 8.9 75 74 A K + 0 0 102 65,-0.8 2,-0.3 3,-0.1 3,-0.1 -0.907 54.9 58.4-151.8 130.2 48.6 -10.0 10.5 76 75 A G S S- 0 0 35 -2,-0.3 64,-0.2 64,-0.2 65,-0.1 -0.869 85.9 -65.1 145.3-176.0 48.2 -9.1 14.2 77 76 A N S S+ 0 0 148 62,-0.4 -1,-0.1 -2,-0.3 63,-0.1 0.947 106.8 57.4 -72.8 -52.6 49.4 -9.8 17.7 78 77 A D - 0 0 67 61,-0.4 63,-2.8 -3,-0.1 2,-0.4 -0.387 69.9-150.2 -80.7 159.7 48.2 -13.4 18.2 79 78 A V E -d 141 0B 0 61,-0.2 89,-1.5 87,-0.1 90,-1.3 -0.963 5.0-149.9-138.4 118.3 49.2 -16.3 15.9 80 79 A L E -de 142 169B 2 61,-2.6 63,-1.6 -2,-0.4 2,-0.3 -0.773 20.9-154.1 -84.4 111.8 47.2 -19.4 15.2 81 80 A G E -de 143 170B 0 88,-2.5 90,-1.7 -2,-0.8 2,-0.4 -0.637 10.9-167.9 -86.0 145.9 49.5 -22.3 14.5 82 81 A I E -de 144 171B 0 61,-2.2 63,-1.2 -2,-0.3 2,-0.6 -0.894 13.5-150.7-135.3 105.0 48.6 -25.3 12.3 83 82 A L E +d 145 0B 1 88,-1.5 2,-0.4 -2,-0.4 334,-0.2 -0.661 21.7 169.8 -89.3 111.5 51.0 -28.2 12.6 84 83 A C E -d 146 0B 0 61,-3.2 63,-3.3 -2,-0.6 2,-0.3 -0.920 20.6-150.0-117.2 142.9 51.3 -30.4 9.6 85 84 A H E -d 147 0B 0 -2,-0.4 63,-0.2 61,-0.2 32,-0.2 -0.838 7.9-172.0-107.3 154.8 53.9 -33.1 8.9 86 85 A V + 0 0 0 61,-2.2 62,-0.2 -2,-0.3 -60,-0.2 0.444 56.7 96.7-128.4 -10.3 54.9 -33.9 5.4 87 86 A D - 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