==== 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 31-OCT-09 3KHZ . COMPND 2 MOLECULE: PUTATIVE DIPEPTIDASE SACOL1801; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR T.S.GIRISH,B.GOPAL . 868 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39259.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 625 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 173 19.9 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 . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 73 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.0 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 2 0 2 0 2 0 2 3 5 0 0 3 1 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 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 0 PARALLEL BRIDGES PER LADDER . 7 3 2 3 1 3 7 2 2 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 . 1 2 0 2 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 88 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-157.7 -3.1 7.5 -27.1 2 1 A M H > + 0 0 109 1,-0.2 4,-2.3 2,-0.2 3,-0.5 0.910 360.0 61.5 -65.9 -41.8 0.5 7.1 -25.9 3 2 A W H > S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.847 98.4 56.6 -44.5 -43.3 -0.9 8.2 -22.5 4 3 A K H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.876 107.4 44.0 -70.5 -37.3 -3.1 5.1 -22.4 5 4 A E H X S+ 0 0 137 -4,-1.0 4,-1.1 -3,-0.5 -1,-0.2 0.974 107.8 61.4 -67.0 -53.2 -0.4 2.5 -22.8 6 5 A K H >< S+ 0 0 42 -4,-2.3 3,-1.2 1,-0.3 -2,-0.2 0.866 107.8 43.2 -39.7 -54.0 1.7 4.4 -20.4 7 6 A V H >< S+ 0 0 1 -4,-2.0 3,-4.8 1,-0.3 4,-0.3 0.944 101.9 67.8 -58.5 -50.1 -0.9 3.8 -17.7 8 7 A Q H >< S+ 0 0 104 -4,-2.0 3,-0.8 1,-0.3 -1,-0.3 0.715 92.4 62.9 -43.8 -23.9 -1.4 0.2 -18.7 9 8 A Q T << S+ 0 0 141 -3,-1.2 -1,-0.3 -4,-1.1 -2,-0.2 0.533 105.7 45.1 -79.2 -5.9 2.1 -0.4 -17.4 10 9 A Y T <> S+ 0 0 39 -3,-4.8 4,-2.5 -4,-0.1 5,-0.2 0.189 77.7 116.4-118.9 13.0 0.9 0.6 -14.0 11 10 A E H <> S+ 0 0 66 -3,-0.8 4,-2.3 -4,-0.3 5,-0.2 0.915 77.3 43.7 -53.7 -52.3 -2.3 -1.4 -13.9 12 11 A D H > S+ 0 0 119 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.863 113.8 50.1 -65.6 -36.0 -1.4 -3.7 -11.1 13 12 A Q H > S+ 0 0 85 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.866 110.1 50.8 -71.4 -34.6 0.1 -1.0 -8.9 14 13 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.958 112.1 47.3 -63.3 -50.5 -3.0 1.2 -9.3 15 14 A I H X S+ 0 0 20 -4,-2.3 4,-3.2 -5,-0.2 5,-0.3 0.922 113.4 48.6 -54.6 -48.0 -5.2 -1.8 -8.4 16 15 A N H X S+ 0 0 87 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.954 113.1 45.6 -63.0 -47.0 -3.1 -2.6 -5.4 17 16 A D H X S+ 0 0 9 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.928 115.3 48.7 -61.4 -41.6 -3.0 0.9 -4.1 18 17 A L H X S+ 0 0 1 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.935 109.4 50.4 -63.8 -49.4 -6.7 1.3 -4.7 19 18 A K H X S+ 0 0 73 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.918 108.0 55.4 -51.7 -46.2 -7.6 -1.9 -3.0 20 19 A G H < S+ 0 0 23 -4,-2.3 4,-0.2 -5,-0.3 -1,-0.2 0.909 111.9 42.1 -57.3 -45.1 -5.5 -0.8 -0.0 21 20 A L H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 5,-0.3 0.880 112.5 52.4 -72.5 -39.8 -7.5 2.4 0.3 22 21 A L H 3< S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.844 99.3 66.4 -62.2 -32.2 -10.9 0.8 -0.3 23 22 A A T 3< S+ 0 0 53 -4,-2.3 2,-0.6 -5,-0.3 -1,-0.2 0.643 82.4 91.6 -68.7 -12.5 -10.2 -1.7 2.5 24 23 A I S < S- 0 0 29 -3,-1.3 2,-3.0 -4,-0.2 77,-0.0 -0.741 76.7-139.6 -87.1 122.1 -10.2 1.1 5.0 25 24 A E + 0 0 121 -2,-0.6 2,-2.1 1,-0.2 17,-0.2 -0.374 33.3 172.5 -77.3 68.9 -13.6 1.7 6.6 26 25 A S + 0 0 0 -2,-3.0 62,-1.9 16,-0.3 2,-0.3 -0.241 18.0 146.3 -82.6 56.2 -13.1 5.4 6.4 27 26 A V B -a 88 0A 26 -2,-2.1 15,-0.3 60,-0.2 62,-0.1 -0.663 57.0 -95.4 -92.8 142.5 -16.6 6.3 7.5 28 27 A R + 0 0 58 60,-0.8 12,-0.2 -2,-0.3 -1,-0.1 -0.208 40.9 177.3 -53.8 141.6 -17.4 9.4 9.6 29 28 A D > + 0 0 63 10,-2.4 3,-1.7 1,-0.1 4,-0.4 -0.483 8.4 170.7-147.3 80.8 -17.6 8.6 13.4 30 29 A D T 3 S+ 0 0 101 1,-0.3 3,-0.4 2,-0.2 10,-0.1 0.685 76.4 59.8 -62.8 -24.2 -18.3 11.8 15.3 31 30 A A T 3 S+ 0 0 101 1,-0.2 -1,-0.3 8,-0.1 9,-0.0 0.632 112.1 38.0 -84.7 -12.5 -18.9 10.0 18.6 32 31 A K S < S+ 0 0 143 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.241 89.7 126.3-121.6 7.1 -15.5 8.4 18.7 33 32 A A + 0 0 36 -3,-0.4 2,-0.3 -4,-0.4 6,-0.1 -0.148 30.8 172.1 -58.5 157.5 -13.6 11.4 17.3 34 33 A S - 0 0 58 3,-1.3 6,-0.2 1,-0.0 3,-0.2 -0.916 53.0 -86.3-149.0-176.2 -10.6 12.8 19.1 35 34 A E S S+ 0 0 176 -2,-0.3 -2,-0.0 1,-0.2 4,-0.0 0.824 131.5 50.6 -63.6 -28.5 -7.9 15.3 18.5 36 35 A D S S+ 0 0 99 1,-0.3 -1,-0.2 2,-0.1 -3,-0.1 0.794 128.5 20.8 -77.7 -26.0 -6.0 12.5 16.8 37 36 A A S > S- 0 0 10 -3,-0.2 3,-2.5 1,-0.1 -3,-1.3 -0.649 71.0-178.0-143.3 78.7 -9.0 11.6 14.6 38 37 A P T 3 S+ 0 0 41 0, 0.0 -5,-0.2 0, 0.0 29,-0.1 0.648 89.4 30.4 -64.5 -19.1 -11.4 14.5 14.5 39 38 A V T 3 S- 0 0 3 1,-0.4 -10,-2.4 -7,-0.1 3,-0.1 0.076 131.2 -78.5-121.7 20.6 -13.9 12.7 12.4 40 39 A G <> - 0 0 0 -3,-2.5 4,-1.4 -6,-0.2 -1,-0.4 -0.050 52.0 -69.8 103.4 157.9 -13.1 9.2 13.8 41 40 A P H > S+ 0 0 45 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.744 118.1 60.7 -52.8 -41.5 -10.4 6.5 13.3 42 41 A G H >> S+ 0 0 10 -15,-0.3 4,-2.1 2,-0.2 3,-0.6 0.983 106.5 40.5 -54.9 -67.9 -11.4 5.4 9.8 43 42 A P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.880 112.8 57.9 -53.6 -39.5 -10.9 8.7 7.8 44 43 A R H 3X S+ 0 0 57 -4,-1.4 4,-2.7 1,-0.2 -2,-0.2 0.925 108.1 46.4 -56.4 -43.2 -7.8 9.3 9.8 45 44 A K H S+ 0 0 0 -4,-2.1 5,-3.0 2,-0.2 3,-0.3 0.965 112.8 41.5 -50.4 -56.3 3.4 9.1 -1.1 55 54 A H H ><5S+ 0 0 100 -4,-2.8 3,-3.0 3,-0.2 -2,-0.2 0.953 110.3 56.8 -58.6 -49.2 6.5 8.6 1.1 56 55 A R H 3<5S+ 0 0 129 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.864 113.3 42.8 -52.0 -33.0 7.0 5.1 -0.3 57 56 A D T 3<5S- 0 0 35 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.270 124.3-103.8 -99.9 9.8 7.2 6.8 -3.7 58 57 A G T < 5S+ 0 0 65 -3,-3.0 2,-0.4 1,-0.2 -3,-0.2 0.599 70.3 139.9 85.6 14.3 9.3 9.7 -2.5 59 58 A F < - 0 0 12 -5,-3.0 -1,-0.2 -6,-0.2 2,-0.1 -0.756 49.9-126.0 -94.2 138.8 6.9 12.6 -2.2 60 59 A T - 0 0 90 12,-0.4 12,-2.7 -2,-0.4 2,-0.3 -0.466 32.2-166.8 -67.4 146.6 6.9 15.1 0.6 61 60 A T E -B 71 0B 31 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.860 13.2-153.1-130.7 170.0 3.5 15.5 2.4 62 61 A H E -B 70 0B 74 8,-2.4 8,-2.3 -2,-0.3 2,-0.3 -0.901 7.9-154.5-150.5 124.8 2.0 17.9 4.8 63 62 A D E -B 69 0B 43 -2,-0.3 2,-0.6 6,-0.2 6,-0.2 -0.677 3.0-155.0 -99.0 144.1 -0.8 17.2 7.4 64 63 A V E >> S-B 68 0B 3 4,-2.8 3,-2.2 -2,-0.3 4,-1.3 -0.895 73.4 -45.6-121.0 103.8 -3.2 19.7 8.8 65 64 A D T 34 S- 0 0 87 -2,-0.6 4,-0.1 1,-0.3 -1,-0.1 0.784 97.7 -76.6 47.0 33.9 -4.6 18.7 12.2 66 65 A H T 34 S+ 0 0 61 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.823 123.3 91.3 45.2 35.3 -5.1 15.2 11.0 67 66 A I T <4 S- 0 0 26 -3,-2.2 81,-0.7 1,-0.5 82,-0.3 0.533 97.0 -4.8-118.3 -28.2 -8.3 16.3 9.1 68 67 A A E < +BC 64 147B 6 -4,-1.3 -4,-2.8 79,-0.2 -1,-0.5 -0.972 66.3 159.0-155.8 165.5 -6.8 17.2 5.7 69 68 A G E -BC 63 146B 0 77,-2.3 77,-3.3 -2,-0.3 2,-0.3 -0.960 25.1-110.3-172.9-173.6 -3.4 17.3 4.0 70 69 A R E -BC 62 145B 26 -8,-2.3 -8,-2.4 -2,-0.3 2,-0.5 -0.975 5.1-143.9-142.1 148.9 -1.4 17.3 0.8 71 70 A I E -BC 61 144B 3 73,-1.8 73,-2.5 -2,-0.3 2,-0.4 -0.971 34.0-145.0-105.2 127.6 1.0 15.3 -1.2 72 71 A E E + C 0 143B 52 -12,-2.7 -12,-0.4 -2,-0.5 2,-0.3 -0.766 27.8 154.2-103.4 138.1 3.5 17.6 -2.9 73 72 A A E + C 0 142B 11 69,-2.2 69,-3.0 -2,-0.4 56,-0.0 -0.947 33.5 35.2-146.0 170.1 5.1 17.4 -6.3 74 73 A G E - C 0 141B 28 -2,-0.3 2,-0.3 67,-0.3 67,-0.3 -0.131 65.0 -95.4 83.8-171.9 6.6 19.6 -9.0 75 74 A K + 0 0 110 65,-1.3 2,-0.2 358,-0.2 3,-0.1 -0.994 62.8 53.3-155.8 131.2 8.7 22.7 -9.2 76 75 A G S S- 0 0 34 -2,-0.3 64,-0.1 64,-0.2 65,-0.1 -0.657 82.7 -68.3 129.4 173.7 7.9 26.4 -9.7 77 76 A N S S+ 0 0 125 62,-0.2 -1,-0.1 -2,-0.2 2,-0.1 0.874 102.7 76.5 -68.4 -43.1 5.8 29.4 -8.4 78 77 A D - 0 0 51 61,-0.4 63,-3.4 -3,-0.1 2,-0.5 -0.446 65.6-154.5 -77.3 147.9 2.5 28.2 -9.5 79 78 A V E -d 141 0B 2 61,-0.2 89,-2.1 87,-0.2 90,-1.4 -0.965 1.1-158.0-125.6 113.2 0.6 25.5 -7.7 80 79 A L E -de 142 169B 0 61,-3.1 63,-2.9 -2,-0.5 2,-0.4 -0.780 17.4-156.1 -81.3 124.8 -1.9 23.3 -9.4 81 80 A G E -de 143 170B 0 88,-2.5 90,-2.2 -2,-0.5 2,-0.5 -0.883 16.0-172.1-106.5 136.0 -4.4 21.9 -6.8 82 81 A I E -de 144 171B 2 61,-2.3 63,-2.1 -2,-0.4 2,-0.5 -0.971 17.5-157.2-121.8 112.2 -6.4 18.7 -7.2 83 82 A L E +d 145 0B 4 88,-2.4 2,-0.3 -2,-0.5 91,-0.2 -0.792 24.4 148.3 -98.2 126.3 -8.8 18.3 -4.3 84 83 A C E -d 146 0B 7 61,-3.1 63,-2.3 -2,-0.5 2,-0.3 -0.849 30.5-130.9-141.2-178.3 -10.3 15.0 -3.3 85 84 A H E -d 147 0B 41 -2,-0.3 63,-0.2 61,-0.3 36,-0.2 -0.979 10.1-163.7-141.4 152.9 -11.5 13.2 -0.3 86 85 A V + 0 0 0 61,-2.2 2,-0.2 -2,-0.3 -60,-0.2 0.407 61.3 101.3-115.8 -5.9 -11.0 9.8 1.4 87 86 A D - 0 0 9 60,-0.5 2,-0.3 -41,-0.1 -60,-0.2 -0.593 55.4-161.6 -75.4 159.2 -14.0 9.6 3.8 88 87 A V B -a 27 0A 5 -62,-1.9 -60,-0.8 -2,-0.2 29,-0.1 -0.829 17.8-108.8-141.1 154.4 -16.8 7.5 2.6 89 88 A V - 0 0 42 27,-0.3 -63,-0.1 -2,-0.3 -62,-0.0 -0.571 49.6 -86.3 -83.5 160.1 -20.6 7.1 3.4 90 89 A P - 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -64,-0.0 -0.235 30.6-135.9 -62.3 153.3 -21.8 4.0 5.2 91 90 A A + 0 0 18 1,-0.1 2,-0.4 -3,-0.1 -2,-0.0 0.986 48.6 143.2 -75.5 -65.8 -22.7 1.0 3.2 92 91 A G > + 0 0 64 317,-0.0 3,-0.6 3,-0.0 2,-0.2 -0.473 32.9 68.9 70.9-119.5 -26.0 -0.0 4.7 93 92 A D T 3 S- 0 0 84 -2,-0.4 -1,-0.0 1,-0.2 0, 0.0 -0.179 108.4 -40.3 -65.5 110.8 -28.9 -1.4 2.6 94 93 A G T 3 - 0 0 63 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.861 63.6-174.7 51.5 61.2 -28.5 -4.9 1.0 95 94 A W < - 0 0 35 -3,-0.6 -1,-0.2 1,-0.1 -3,-0.0 -0.685 22.0-150.0 -83.4 134.2 -25.0 -5.2 -0.4 96 95 A D S S+ 0 0 147 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.208 84.5 27.7 -85.6 18.1 -24.3 -8.4 -2.4 97 96 A S S S- 0 0 33 6,-0.0 313,-0.1 0, 0.0 -2,-0.1 -0.964 103.5 -76.0-166.9 164.2 -20.7 -8.2 -1.2 98 97 A N > - 0 0 66 -2,-0.3 3,-1.9 3,-0.2 14,-0.1 -0.674 38.2-152.2 -79.8 111.4 -18.6 -6.8 1.7 99 98 A P T 3 S+ 0 0 23 0, 0.0 13,-2.0 0, 0.0 -1,-0.2 0.711 93.0 39.9 -62.1 -23.1 -18.5 -3.1 1.1 100 99 A F T 3 S+ 0 0 26 11,-0.2 -75,-0.1 1,-0.2 11,-0.1 0.239 103.2 71.8-114.0 12.4 -15.1 -2.6 2.9 101 100 A E S < S- 0 0 126 -3,-1.9 -3,-0.2 9,-0.1 -1,-0.2 -0.918 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3,-1.2 -2,-0.6 4,-0.3 -0.954 70.7 -78.3-175.8 161.2 -16.4 -1.5 -3.0 112 111 A R T 3 S+ 0 0 4 -13,-2.0 -21,-0.1 -2,-0.3 297,-0.0 -0.537 116.8 27.0 -65.8 139.1 -17.8 1.6 -1.3 113 112 A G T 3 S+ 0 0 0 -2,-0.2 6,-1.3 3,-0.1 5,-0.4 0.327 81.3 117.9 86.7 -8.8 -15.8 4.6 -2.3 114 113 A T S < >S+ 0 0 0 -3,-1.2 5,-0.6 4,-0.2 3,-0.2 0.928 93.3 23.2 -50.9 -44.7 -14.8 3.1 -5.6 115 114 A L T 5S+ 0 0 64 -4,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.962 118.5 62.9 -86.8 -51.6 -16.7 6.1 -7.2 116 115 A D T 5S- 0 0 80 1,-0.1 -1,-0.3 3,-0.1 -27,-0.3 -0.934 125.8 -49.2-119.6 99.2 -16.7 8.7 -4.5 117 116 A D T >5S+ 0 0 20 -2,-0.5 4,-2.5 -3,-0.2 5,-0.2 -0.980 117.7 76.6-126.0 -5.8 -13.8 9.3 -4.1 118 117 A K H >5S+ 0 0 0 -5,-0.4 4,-2.3 1,-0.3 -4,-0.2 0.775 99.7 53.4 -51.4 -37.0 -11.2 6.7 -3.6 119 118 A G H > S+ 0 0 35 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.869 111.9 59.2 -66.3 -28.9 -10.5 9.2 -8.7 121 120 A T H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.935 109.9 42.6 -62.9 -44.3 -8.1 10.0 -5.8 122 121 A I H X S+ 0 0 0 -4,-2.3 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