==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-NOV-07 3BC3 . COMPND 2 MOLECULE: CATHEPSIN L HEAVY AND LIGHT CHAINS; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.F.CHOWDHURY,L.JOSEPH,S.KUMAR,S.R.TULSIDAS,S.BHAT,E.ZIOMEK, . 430 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 59.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 18.1 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 29 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 0 0 2 0 0 1 3 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 8 4 2 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 1 A A 0 0 93 0, 0.0 123,-0.1 0, 0.0 122,-0.0 0.000 360.0 360.0 360.0 153.7 -10.6 -12.6 32.5 2 2 A P - 0 0 74 0, 0.0 3,-0.1 0, 0.0 125,-0.1 -0.119 360.0-120.3 -59.6 161.6 -12.6 -15.5 31.1 3 3 A R S S+ 0 0 174 1,-0.2 2,-0.3 169,-0.0 0, 0.0 0.807 96.4 16.2 -71.7 -30.1 -11.3 -17.5 28.1 4 4 A S - 0 0 61 167,-0.1 2,-0.3 123,-0.0 167,-0.2 -0.992 62.6-173.1-145.6 150.4 -14.3 -16.5 26.1 5 5 A V E +A 170 0A 24 165,-2.9 165,-2.3 -2,-0.3 2,-0.2 -0.989 7.8 172.3-146.5 134.1 -17.1 -13.9 26.2 6 6 A D E > -A 169 0A 32 -2,-0.3 3,-2.2 163,-0.2 4,-0.3 -0.723 8.6-173.3-144.9 90.8 -20.2 -13.5 24.1 7 7 A W G > >S+ 0 0 28 161,-2.4 5,-1.7 1,-0.3 3,-1.0 0.611 80.5 76.2 -60.6 -14.8 -22.6 -10.8 25.4 8 8 A R G > 5S+ 0 0 100 160,-0.3 3,-1.1 1,-0.2 -1,-0.3 0.804 86.3 65.1 -66.1 -24.6 -25.2 -11.8 22.7 9 9 A E G < 5S+ 0 0 137 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.748 103.7 44.5 -66.4 -27.2 -25.8 -14.7 25.0 10 10 A K G < 5S- 0 0 131 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.210 118.9-102.6-105.5 12.9 -27.2 -12.4 27.8 11 11 A G T < 5S+ 0 0 30 -3,-1.1 -3,-0.2 -4,-0.1 -2,-0.1 0.736 82.0 126.3 76.1 24.7 -29.4 -10.2 25.6 12 12 A Y < + 0 0 24 -5,-1.7 2,-0.5 156,-0.1 -4,-0.2 0.644 58.9 69.9 -85.9 -17.2 -27.1 -7.1 25.4 13 13 A V - 0 0 22 -6,-0.3 3,-0.1 -5,-0.1 -2,-0.1 -0.892 67.2-146.9-115.1 131.1 -27.1 -6.9 21.6 14 14 A T - 0 0 8 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.220 45.8 -73.4 -78.3 173.3 -29.9 -5.9 19.2 15 15 A P - 0 0 110 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.256 65.7 -80.3 -65.4 161.6 -30.2 -7.5 15.7 16 16 A V - 0 0 31 176,-0.2 171,-0.3 -3,-0.1 2,-0.2 -0.398 50.6-156.7 -65.8 135.6 -27.7 -6.4 13.0 17 17 A K - 0 0 32 166,-0.4 169,-2.1 169,-0.2 2,-0.4 -0.567 9.6-128.7-107.4 172.7 -28.5 -3.1 11.4 18 18 A N B -I 185 0B 87 167,-0.2 167,-0.2 -2,-0.2 166,-0.0 -0.967 11.4-169.8-130.0 118.4 -27.5 -1.6 8.0 19 19 A Q - 0 0 10 165,-3.0 5,-0.2 -2,-0.4 166,-0.1 0.671 30.6-164.4 -77.5 -16.8 -25.9 1.8 7.6 20 20 A G - 0 0 38 164,-0.3 2,-2.0 1,-0.2 -1,-0.2 -0.216 56.6 -19.5 64.7-158.2 -26.3 1.8 3.8 21 21 A Q S S+ 0 0 201 2,-0.1 2,-0.3 72,-0.1 -1,-0.2 -0.484 111.4 99.5 -85.2 69.5 -24.4 4.2 1.7 22 22 A a S S- 0 0 11 -2,-2.0 2,-2.2 72,-0.1 3,-0.2 -0.962 77.1-125.2-155.3 132.1 -23.8 6.7 4.5 23 23 A G B S+j 66 0C 19 42,-2.1 44,-0.8 -2,-0.3 3,-0.3 -0.235 73.7 117.4 -76.1 52.8 -20.7 7.3 6.6 24 24 A S >> + 0 0 0 -2,-2.2 4,-1.5 1,-0.2 3,-1.4 0.156 24.8 117.3-106.0 17.4 -22.7 6.8 9.8 25 25 A X H 3> S+ 0 0 25 1,-0.3 4,-2.8 -3,-0.2 5,-0.3 0.853 73.3 61.0 -52.1 -38.1 -20.9 3.7 11.2 26 26 A W H 3> S+ 0 0 3 -3,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.852 103.7 51.2 -58.0 -33.7 -19.8 5.8 14.2 27 27 A A H <> S+ 0 0 0 -3,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.916 110.8 45.7 -70.5 -43.9 -23.5 6.3 15.0 28 28 A F H X S+ 0 0 14 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.869 113.1 50.5 -67.5 -36.8 -24.3 2.5 14.8 29 29 A S H X S+ 0 0 3 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.915 111.7 49.2 -65.4 -42.4 -21.3 1.7 16.9 30 30 A A H X S+ 0 0 3 -4,-1.9 4,-2.4 -5,-0.3 5,-0.2 0.945 112.1 45.7 -63.2 -50.4 -22.4 4.3 19.5 31 31 A T H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.870 110.3 56.1 -62.8 -34.4 -26.0 3.0 19.7 32 32 A G H X S+ 0 0 3 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.918 110.3 44.1 -62.4 -43.0 -24.7 -0.5 19.9 33 33 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.899 116.1 46.3 -68.1 -43.5 -22.6 0.4 23.0 34 34 A L H X S+ 0 0 2 -4,-2.4 4,-3.6 2,-0.2 5,-0.3 0.882 107.2 58.0 -66.2 -39.8 -25.4 2.4 24.6 35 35 A E H X S+ 0 0 2 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.871 109.9 45.8 -58.1 -35.8 -27.9 -0.3 23.9 36 36 A G H X S+ 0 0 0 -4,-1.3 4,-1.9 -5,-0.2 -2,-0.2 0.908 115.1 44.4 -74.1 -43.4 -25.6 -2.6 25.9 37 37 A Q H X S+ 0 0 16 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.900 112.4 51.5 -69.4 -40.1 -25.1 -0.2 28.8 38 38 A M H X S+ 0 0 25 -4,-3.6 4,-2.4 1,-0.2 6,-0.5 0.852 109.2 53.7 -63.9 -31.7 -28.7 0.7 29.0 39 39 A F H X S+ 0 0 40 -4,-1.1 4,-2.7 -5,-0.3 -2,-0.2 0.913 107.6 47.8 -68.9 -43.3 -29.5 -3.0 29.1 40 40 A R H < S+ 0 0 107 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.819 117.1 45.2 -66.1 -29.6 -27.2 -3.7 32.1 41 41 A K H < S+ 0 0 122 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.850 132.2 15.0 -82.8 -36.7 -28.7 -0.7 33.9 42 42 A T H < S- 0 0 76 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.496 89.1-125.0-118.3 -7.5 -32.4 -1.3 33.2 43 43 A G S < S+ 0 0 49 -4,-2.7 2,-0.5 -5,-0.3 -4,-0.2 0.521 77.1 115.3 73.8 1.3 -32.7 -4.9 32.0 44 44 A R - 0 0 169 -6,-0.5 2,-0.7 -5,-0.1 -2,-0.2 -0.920 56.9-150.5-110.5 127.9 -34.5 -3.5 29.0 45 45 A L + 0 0 66 -2,-0.5 2,-0.5 -3,-0.1 -9,-0.1 -0.841 22.9 171.7 -97.3 113.6 -33.1 -3.8 25.4 46 46 A I - 0 0 43 -2,-0.7 -8,-0.1 -11,-0.2 -32,-0.1 -0.958 33.3-125.8-128.0 116.0 -34.2 -0.9 23.2 47 47 A S - 0 0 37 -2,-0.5 39,-3.0 38,-0.1 40,-0.5 -0.368 33.7-141.8 -57.7 129.2 -32.9 -0.3 19.8 48 48 A L B -K 85 0D 2 37,-0.3 2,-0.7 38,-0.2 37,-0.2 -0.535 16.2 -98.6 -96.2 163.4 -31.6 3.3 19.6 49 49 A S > + 0 0 0 35,-2.2 4,-1.0 -2,-0.2 35,-0.1 -0.693 27.9 179.2 -88.3 110.0 -31.8 5.9 16.9 50 50 A E H > S+ 0 0 0 -2,-0.7 4,-2.7 1,-0.2 -1,-0.2 0.860 86.5 61.1 -71.2 -33.9 -28.7 6.4 14.7 51 51 A Q H > S+ 0 0 0 38,-0.5 4,-2.7 1,-0.2 5,-0.3 0.864 98.2 56.5 -59.1 -39.0 -30.6 9.0 12.7 52 52 A N H > S+ 0 0 0 37,-0.4 4,-1.6 2,-0.2 5,-0.2 0.908 111.1 44.4 -58.7 -42.7 -31.0 11.1 15.9 53 53 A L H X S+ 0 0 1 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.921 112.6 51.5 -68.1 -45.3 -27.2 11.1 16.2 54 54 A V H < S+ 0 0 3 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.882 116.6 38.4 -60.9 -41.7 -26.6 11.8 12.4 55 55 A D H < S+ 0 0 15 -4,-2.7 43,-0.4 -5,-0.2 -1,-0.2 0.763 128.1 28.0 -83.9 -24.8 -28.9 14.8 12.4 56 56 A b H < S+ 0 0 12 -4,-1.6 -3,-0.2 -5,-0.3 -2,-0.2 0.686 96.6 75.8-114.9 -19.0 -28.1 16.4 15.8 57 57 A S ><> + 0 0 1 -4,-2.2 5,-1.7 -5,-0.2 3,-0.5 0.235 61.8 107.6 -83.6 19.4 -24.5 15.6 17.0 58 58 A G G > 5S+ 0 0 35 1,-0.2 3,-1.8 3,-0.2 -1,-0.2 0.890 72.7 58.5 -61.2 -40.8 -22.9 18.1 14.6 59 59 A P G 3 5S+ 0 0 60 0, 0.0 307,-0.3 0, 0.0 -1,-0.2 0.839 101.6 56.6 -58.3 -31.7 -22.0 20.5 17.4 60 60 A Q G < 5S- 0 0 18 -3,-0.5 -2,-0.2 -4,-0.2 -3,-0.1 0.560 131.3 -90.3 -77.8 -8.6 -20.0 17.7 19.1 61 61 A G T < 5S+ 0 0 13 -3,-1.8 -3,-0.2 -4,-0.4 2,-0.1 0.362 81.8 133.7 117.9 -6.3 -17.9 17.3 16.0 62 62 A N < - 0 0 3 -5,-1.7 -1,-0.3 6,-0.1 6,-0.2 -0.397 42.2-154.3 -77.3 156.1 -19.7 14.6 14.0 63 63 A E > - 0 0 53 4,-3.0 3,-2.7 1,-0.4 5,-0.1 -0.165 27.1-131.3-124.5 39.1 -20.3 15.0 10.2 64 64 A G T > S- 0 0 2 1,-0.3 3,-1.3 -11,-0.2 -1,-0.4 -0.205 86.3 -1.8 51.7-128.0 -23.4 13.0 9.5 65 65 A a T 3 S+ 0 0 30 1,-0.3 -42,-2.1 -41,-0.1 -1,-0.3 0.435 129.5 69.4 -73.4 1.4 -22.9 10.6 6.6 66 66 A N B < S-j 23 0C 91 -3,-2.7 -1,-0.3 1,-0.4 -2,-0.2 0.190 114.4 -88.5-103.2 15.0 -19.4 12.1 6.1 67 67 A G < + 0 0 20 -3,-1.3 -4,-3.0 -44,-0.8 -1,-0.4 -0.390 49.2 172.3 110.2 174.7 -18.1 10.5 9.3 68 68 A G - 0 0 30 -6,-0.2 2,-0.3 -5,-0.1 -6,-0.1 -0.975 32.0 -83.7 167.6-167.1 -17.7 11.1 13.0 69 69 A L > - 0 0 80 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.966 19.1-132.3-131.7 147.5 -16.7 9.4 16.3 70 70 A M H > S+ 0 0 16 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.913 110.1 56.9 -62.6 -39.6 -18.4 7.2 18.8 71 71 A D H > S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.890 103.4 52.2 -58.9 -40.9 -17.2 9.4 21.6 72 72 A Y H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.883 108.6 52.1 -62.5 -37.8 -18.8 12.5 20.0 73 73 A A H X S+ 0 0 1 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.942 110.1 47.6 -62.3 -48.0 -22.0 10.6 19.9 74 74 A F H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 37,-0.3 0.916 111.0 51.6 -59.9 -43.1 -21.8 9.7 23.6 75 75 A Q H X S+ 0 0 55 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.889 107.1 54.2 -61.6 -39.4 -21.0 13.4 24.4 76 76 A Y H X S+ 0 0 8 -4,-2.2 4,-4.0 1,-0.2 5,-0.3 0.954 106.0 51.2 -59.0 -51.2 -24.1 14.5 22.5 77 77 A V H X>S+ 0 0 2 -4,-2.1 4,-1.9 1,-0.2 5,-1.1 0.888 112.7 46.8 -54.3 -42.2 -26.4 12.2 24.5 78 78 A Q H <5S+ 0 0 69 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.935 117.0 42.2 -66.3 -46.7 -24.9 13.6 27.7 79 79 A D H <5S+ 0 0 78 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.904 117.1 49.1 -63.6 -42.7 -25.2 17.2 26.5 80 80 A N H <5S- 0 0 48 -4,-4.0 -1,-0.2 -5,-0.2 -2,-0.2 0.762 102.2-131.4 -70.2 -29.1 -28.7 16.5 25.0 81 81 A G T <5S+ 0 0 41 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.2 0.634 75.4 8.5 84.4 13.7 -30.1 14.8 28.1 82 82 A G < - 0 0 0 -5,-1.1 2,-0.3 -6,-0.2 26,-0.2 -0.941 62.5-124.8 163.8 174.8 -31.3 11.9 26.1 83 83 A L E -L 107 0E 1 24,-0.9 23,-2.3 -2,-0.3 24,-0.8 -0.966 29.4-117.8-150.9 131.1 -31.6 10.0 22.8 84 84 A D E -L 105 0E 3 -2,-0.3 -35,-2.2 21,-0.3 21,-0.2 -0.253 33.4-105.3 -69.4 156.7 -34.6 8.9 20.9 85 85 A S B > -K 48 0D 14 19,-1.1 4,-2.2 -37,-0.2 -37,-0.3 -0.433 26.2-113.9 -78.5 155.5 -35.5 5.2 20.2 86 86 A E T 4 S+ 0 0 35 -39,-3.0 -38,-0.2 1,-0.2 -1,-0.1 0.884 117.4 55.8 -54.9 -38.9 -35.0 3.6 16.8 87 87 A E T 4 S+ 0 0 180 -40,-0.5 -1,-0.2 1,-0.2 -39,-0.1 0.880 112.4 38.3 -62.6 -43.1 -38.8 3.3 16.6 88 88 A S T 4 S+ 0 0 43 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.767 125.8 38.0 -81.0 -26.9 -39.6 7.0 17.1 89 89 A Y S < S- 0 0 11 -4,-2.2 -38,-0.5 15,-0.1 -37,-0.4 -0.661 86.3-159.4-128.1 75.5 -36.6 8.2 15.1 90 90 A P - 0 0 73 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.072 22.2-105.3 -54.4 149.2 -36.2 5.9 12.0 91 91 A Y + 0 0 52 1,-0.1 -42,-0.0 -5,-0.1 -5,-0.0 -0.595 35.6 172.3 -80.9 136.4 -33.0 5.6 10.0 92 92 A E - 0 0 96 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.492 40.2-128.7-120.3 -9.7 -32.9 7.3 6.6 93 93 A A S S+ 0 0 33 1,-0.2 2,-0.3 -73,-0.1 -70,-0.1 0.824 82.1 83.4 63.1 31.3 -29.2 6.9 5.6 94 94 A T S S- 0 0 65 -72,-0.1 2,-0.3 -70,-0.0 -2,-0.2 -0.954 87.0 -99.8-160.7 143.2 -29.0 10.6 4.9 95 95 A E + 0 0 99 -2,-0.3 2,-0.2 -32,-0.1 -40,-0.1 -0.518 47.3 166.5 -74.6 129.8 -28.5 13.7 6.9 96 96 A E - 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