==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-APR-09 3H8C . COMPND 2 MOLECULE: CATHEPSIN L1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.R.TULSIDAS,S.F.CHOWDHURY,S.KUMAR,L.JOSEPH,E.O.PURISIMA, . 430 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19063.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 60.7 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 . 74 17.2 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 0.5 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 . 34 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 2 0 0 2 0 0 3 1 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 3 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 . 1 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 0 116 0, 0.0 123,-0.1 0, 0.0 122,-0.0 0.000 360.0 360.0 360.0 78.9 20.6 -13.5 -22.4 2 2 A P - 0 0 67 0, 0.0 3,-0.1 0, 0.0 125,-0.1 0.123 360.0-124.2 -51.3 161.5 20.0 -16.9 -24.2 3 3 A R S S+ 0 0 176 1,-0.2 2,-0.3 169,-0.0 0, 0.0 0.935 91.6 10.4 -72.0 -52.7 20.9 -17.9 -27.7 4 4 A S - 0 0 63 167,-0.1 2,-0.3 123,-0.0 167,-0.3 -0.906 63.2-173.2-129.2 156.2 17.5 -18.9 -28.8 5 5 A V E +A 170 0A 23 165,-3.1 165,-2.5 -2,-0.3 2,-0.2 -0.984 8.9 170.9-149.3 141.6 14.0 -18.6 -27.3 6 6 A D E > -A 169 0A 30 -2,-0.3 3,-1.9 163,-0.2 163,-0.2 -0.660 13.5-167.4-156.0 93.5 10.7 -20.1 -28.4 7 7 A W G > >S+ 0 0 28 161,-3.0 5,-1.6 1,-0.3 3,-0.7 0.505 81.8 77.0 -61.0 -7.4 7.7 -19.7 -26.0 8 8 A R G > 5S+ 0 0 109 160,-0.2 3,-1.2 1,-0.2 -1,-0.3 0.839 86.8 61.6 -71.9 -31.1 5.7 -22.2 -28.0 9 9 A E G < 5S+ 0 0 143 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.656 104.2 49.3 -67.4 -16.7 7.8 -24.9 -26.4 10 10 A K G < 5S- 0 0 133 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.2 0.284 116.4-103.4-108.8 10.2 6.5 -23.9 -23.0 11 11 A G T < 5S+ 0 0 31 -3,-1.2 -3,-0.2 -4,-0.1 -2,-0.1 0.744 84.7 120.5 78.5 23.9 2.7 -23.7 -23.5 12 12 A Y < + 0 0 26 -5,-1.6 2,-0.4 156,-0.1 27,-0.2 0.675 57.7 74.0 -91.3 -20.0 2.4 -19.9 -23.7 13 13 A V - 0 0 25 -6,-0.4 3,-0.1 -5,-0.1 -2,-0.1 -0.827 65.2-147.3-107.3 133.9 1.0 -19.7 -27.2 14 14 A T - 0 0 7 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.400 44.3 -80.1 -83.9 165.5 -2.5 -20.6 -28.5 15 15 A P - 0 0 108 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.021 64.2 -75.6 -57.3 174.0 -3.0 -21.9 -32.0 16 16 A V - 0 0 35 176,-0.2 171,-0.2 -3,-0.1 2,-0.2 -0.556 52.2-159.5 -77.1 137.9 -3.0 -19.5 -34.9 17 17 A K - 0 0 32 166,-0.4 169,-1.8 -2,-0.3 2,-0.4 -0.614 11.3-129.1-110.6 171.7 -6.1 -17.4 -35.4 18 18 A N B -I 185 0B 62 167,-0.2 167,-0.2 -2,-0.2 3,-0.1 -0.935 7.4-164.3-130.5 111.4 -7.6 -15.5 -38.3 19 19 A Q - 0 0 15 165,-2.7 5,-0.2 -2,-0.4 166,-0.1 0.619 35.0-157.4 -67.6 -8.6 -8.7 -11.9 -38.1 20 20 A G - 0 0 33 164,-0.3 2,-1.6 1,-0.2 -1,-0.2 -0.234 55.2 -26.3 62.7-157.4 -10.6 -12.4 -41.3 21 21 A Q S S+ 0 0 201 72,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.581 111.8 100.1 -94.1 75.8 -11.4 -9.4 -43.3 22 22 A a S S- 0 0 9 -2,-1.6 2,-2.3 72,-0.1 44,-0.1 -0.947 78.3-122.6-157.0 132.9 -11.4 -6.9 -40.4 23 23 A G S S+ 0 0 24 42,-2.1 44,-0.5 -2,-0.3 3,-0.3 -0.266 72.9 121.6 -77.9 55.0 -8.6 -4.5 -39.3 24 24 A S >> + 0 0 0 -2,-2.3 4,-1.5 -5,-0.2 3,-0.7 0.016 22.3 120.4-105.4 24.8 -8.6 -6.1 -35.9 25 25 A X H 3> S+ 0 0 25 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.830 71.5 60.5 -58.9 -33.6 -4.9 -7.2 -35.9 26 26 A W H 3> S+ 0 0 3 -3,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.897 103.8 51.3 -61.4 -37.7 -4.3 -5.0 -32.8 27 27 A A H <> S+ 0 0 0 -3,-0.7 4,-2.9 2,-0.2 -1,-0.2 0.887 110.9 45.5 -67.4 -40.7 -6.9 -7.1 -30.9 28 28 A F H X S+ 0 0 14 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.879 112.2 51.6 -70.5 -37.4 -5.2 -10.5 -31.9 29 29 A S H X S+ 0 0 4 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.926 113.3 47.4 -62.0 -42.8 -1.8 -9.1 -31.0 30 30 A A H X S+ 0 0 2 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.946 111.6 46.1 -64.3 -54.3 -3.3 -8.0 -27.6 31 31 A T H X S+ 0 0 1 -4,-2.9 4,-3.5 1,-0.2 5,-0.2 0.897 111.6 56.4 -57.3 -38.8 -5.1 -11.3 -26.8 32 32 A G H X S+ 0 0 4 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.932 110.4 41.1 -57.9 -49.7 -1.9 -13.1 -27.8 33 33 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.882 117.8 48.7 -66.6 -38.4 0.3 -11.2 -25.3 34 34 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.919 106.8 55.1 -66.9 -46.2 -2.4 -11.4 -22.6 35 35 A E H X S+ 0 0 4 -4,-3.5 4,-1.7 1,-0.2 11,-0.2 0.889 109.0 50.0 -54.1 -42.6 -2.9 -15.2 -23.2 36 36 A G H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.848 111.5 46.0 -67.2 -37.6 0.8 -15.6 -22.6 37 37 A Q H X S+ 0 0 14 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.949 110.6 51.7 -71.5 -48.4 1.0 -13.6 -19.3 38 38 A M H X>S+ 0 0 23 -4,-2.7 4,-3.4 1,-0.2 5,-0.7 0.905 110.7 51.2 -52.6 -43.5 -2.1 -15.2 -17.8 39 39 A F H X5S+ 0 0 39 -4,-1.7 4,-2.5 -5,-0.3 -1,-0.2 0.964 107.1 50.8 -59.2 -52.6 -0.5 -18.5 -18.6 40 40 A R H <5S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.775 120.8 39.1 -55.8 -25.6 2.8 -17.5 -16.9 41 41 A K H <5S+ 0 0 130 -4,-1.7 -2,-0.2 -3,-0.2 -3,-0.2 0.948 130.0 21.1 -87.7 -65.2 0.6 -16.5 -13.9 42 42 A T H <5S- 0 0 69 -4,-3.4 -3,-0.2 2,-0.2 -2,-0.2 0.717 92.7-126.8 -80.4 -23.0 -2.1 -19.1 -13.5 43 43 A G S < + 0 0 0 35,-1.9 4,-1.0 -2,-0.2 35,-0.1 -0.724 27.4 179.8 -89.8 117.7 -11.9 -12.9 -27.2 50 50 A E H > S+ 0 0 0 -2,-0.6 4,-3.2 2,-0.2 5,-0.2 0.812 87.8 59.1 -80.1 -33.0 -10.9 -10.5 -29.9 51 51 A Q H > S+ 0 0 0 38,-0.4 4,-2.4 1,-0.2 5,-0.2 0.843 101.1 57.2 -63.5 -31.5 -14.5 -9.7 -30.7 52 52 A N H > S+ 0 0 0 37,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.943 110.9 42.7 -62.6 -46.2 -14.7 -8.6 -27.1 53 53 A L H X S+ 0 0 2 -4,-1.0 4,-1.7 1,-0.2 -2,-0.2 0.934 114.2 50.3 -65.1 -47.6 -11.9 -6.1 -27.8 54 54 A V H < S+ 0 0 2 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.855 115.1 42.8 -60.7 -36.7 -13.3 -5.0 -31.1 55 55 A D H < S+ 0 0 16 -4,-2.4 43,-0.4 -5,-0.2 -1,-0.2 0.824 125.2 25.1 -83.0 -32.7 -16.8 -4.3 -29.8 56 56 A b H < S+ 0 0 13 -4,-1.8 4,-0.2 -5,-0.2 -2,-0.2 0.499 96.2 83.1-113.9 -4.5 -16.1 -2.5 -26.5 57 57 A S X> + 0 0 0 -4,-1.7 5,-2.0 -5,-0.2 4,-0.5 0.155 56.7 105.7 -90.7 24.4 -12.7 -0.9 -26.7 58 58 A G T >45S+ 0 0 43 1,-0.2 3,-1.4 3,-0.2 -1,-0.2 0.905 74.0 58.8 -65.3 -42.4 -13.9 2.3 -28.5 59 59 A P T 345S+ 0 0 112 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.879 103.3 52.2 -55.1 -40.4 -13.6 4.4 -25.3 60 60 A Q T 345S- 0 0 37 -4,-0.2 -2,-0.2 12,-0.1 -3,-0.1 0.646 131.9 -90.6 -71.9 -15.1 -9.9 3.6 -25.0 61 61 A G T <<5S+ 0 0 34 -3,-1.4 -3,-0.2 -4,-0.5 2,-0.1 0.402 80.4 133.1 123.6 -2.9 -9.4 4.7 -28.6 62 62 A N < - 0 0 2 -5,-2.0 -1,-0.3 10,-0.1 6,-0.3 -0.481 43.0-152.5 -82.0 153.7 -9.8 1.6 -30.8 63 63 A E > - 0 0 123 4,-3.4 3,-2.6 1,-0.3 5,-0.2 -0.124 29.0-133.7-115.4 33.8 -11.9 1.6 -34.0 64 64 A G G > S+ 0 0 1 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 -0.256 86.1 1.7 54.5-125.1 -12.9 -2.0 -34.1 65 65 A a G 3 S+ 0 0 27 1,-0.3 -42,-2.1 -11,-0.1 -1,-0.3 0.501 132.8 63.3 -72.8 -1.2 -12.5 -3.4 -37.6 66 66 A N G < S- 0 0 137 -3,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.347 116.5 -70.4-104.5 5.7 -11.1 -0.0 -38.6 67 67 A G < + 0 0 21 -3,-1.5 -4,-3.4 -44,-0.5 -1,-0.3 -0.623 51.1 165.5 132.4 169.2 -8.1 -0.0 -36.4 68 68 A G - 0 0 31 -6,-0.3 2,-0.3 -2,-0.2 -6,-0.1 -0.968 31.1 -98.7 165.9-176.3 -6.6 0.2 -32.9 69 69 A L > - 0 0 89 -2,-0.3 4,-0.9 1,-0.1 5,-0.1 -0.942 22.7-126.3-131.8 152.7 -3.6 -0.3 -30.8 70 70 A M H > S+ 0 0 15 -2,-0.3 4,-2.3 1,-0.2 3,-0.3 0.878 112.2 55.9 -66.4 -35.6 -2.6 -3.1 -28.5 71 71 A D H > S+ 0 0 37 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.861 101.8 54.2 -66.0 -34.8 -2.1 -0.6 -25.6 72 72 A Y H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.791 109.7 51.7 -67.4 -25.5 -5.7 0.7 -26.0 73 73 A A H X S+ 0 0 1 -4,-0.9 4,-2.6 -3,-0.3 -2,-0.2 0.917 109.2 46.0 -76.0 -46.0 -6.6 -3.0 -25.6 74 74 A F H X S+ 0 0 1 -4,-2.3 4,-1.6 2,-0.2 37,-0.3 0.948 114.1 51.0 -61.4 -43.9 -4.6 -3.5 -22.4 75 75 A Q H X S+ 0 0 58 -4,-2.7 4,-3.0 2,-0.2 3,-0.5 0.940 109.1 49.3 -56.9 -51.6 -6.1 -0.3 -21.1 76 76 A Y H X S+ 0 0 8 -4,-2.1 4,-2.1 1,-0.3 -1,-0.2 0.935 109.8 51.7 -53.6 -48.7 -9.6 -1.3 -21.9 77 77 A V H <>S+ 0 0 2 -4,-2.6 5,-1.5 1,-0.2 4,-0.5 0.805 112.8 48.1 -59.0 -28.5 -8.9 -4.7 -20.1 78 78 A Q H ><5S+ 0 0 64 -4,-1.6 3,-0.6 -3,-0.5 -2,-0.2 0.940 113.8 42.4 -78.3 -48.1 -7.7 -2.6 -17.2 79 79 A D H 3<5S+ 0 0 102 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.702 117.8 48.3 -70.9 -20.2 -10.6 -0.1 -16.9 80 80 A N T 3<5S- 0 0 54 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.535 102.4-132.8 -96.8 -10.1 -13.2 -2.9 -17.5 81 81 A G T < 5S+ 0 0 42 -3,-0.6 -3,-0.2 -4,-0.5 2,-0.2 0.981 71.7 11.5 54.9 67.9 -11.7 -5.3 -14.9 82 82 A G < - 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0 0 84 -2,-0.3 -1,-0.1 2,-0.3 3,-0.1 0.323 40.3-127.0-122.4 5.7 -17.3 -12.7 -36.0 93 93 A A S S+ 0 0 34 1,-0.1 2,-0.3 -75,-0.1 -72,-0.1 0.851 82.4 79.7 48.9 41.6 -14.9 -10.6 -38.0 94 94 A T S S- 0 0 65 -72,-0.1 2,-0.5 -74,-0.0 -2,-0.3 -0.943 89.9 -93.0-168.9 151.2 -17.2 -7.6 -37.9 95 95 A E + 0 0 93 -2,-0.3 2,-0.2 -3,-0.1 -40,-0.1 -0.624 49.7 167.5 -79.9 120.6 -18.1 -4.9 -35.4 96 96 A E - 0 0 72 -2,-0.5 2,-0.2 -45,-0.2 3,-0.1 -0.502 42.8 -68.7-116.1-173.2 -21.1 -5.8 -33.2 97 97 A S - 0 0 77 -2,-0.2 -41,-0.1 1,-0.1 2,-0.1 -0.518 61.3 -92.1 -80.1 147.4 -22.6 -4.3 -30.1 98 98 A b + 0 0 72 -43,-0.4 -1,-0.1 -2,-0.2 -46,-0.1 -0.399 48.2 169.0 -62.2 130.1 -20.7 -4.6 -26.8 99 99 A K + 0 0 107 -2,-0.1 -1,-0.1 -47,-0.1 -47,-0.1 -0.031 12.0 160.6-133.3 29.9 -21.7 -7.8 -25.0 100 100 A Y - 0 0 41 -48,-0.1 3,-0.1 1,-0.1 -17,-0.0 -0.199 17.7-168.3 -54.6 144.5 -19.1 -8.0 -22.3 101 101 A N > - 0 0 61 1,-0.1 3,-3.4 -12,-0.0 4,-0.5 -0.837 20.0-154.7-144.2 103.9 -20.1 -10.3 -19.4 102 102 A P G > S+ 0 0 94 0, 0.0 3,-1.0 0, 0.0 -19,-0.1 0.758 93.7 71.2 -44.6 -32.0 -18.1 -10.4 -16.1 103 103 A K G 3 S+ 0 0 167 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 0.761 105.8 38.5 -60.2 -22.8 -19.4 -13.9 -15.5 104 104 A Y G < S+ 0 0 107 -3,-3.4 -19,-1.3 -19,-0.0 -1,-0.2 0.429 79.9 128.2-109.4 -1.3 -17.2 -15.0 -18.3 105 105 A S E < +K 84 0D 38 -3,-1.0 -21,-0.3 -4,-0.5 3,-0.1 -0.354 24.1 171.0 -58.3 131.2 -14.0 -12.9 -17.8 106 106 A V E + 0 0 63 -23,-2.6 2,-0.3 1,-0.1 -1,-0.2 0.322 59.3 33.3-123.2 2.6 -11.0 -15.3 -17.7 107 107 A A E +K 83 0D 4 -24,-0.9 -24,-1.1 -30,-0.0 2,-0.3 -0.968 53.1 169.1-153.0 167.4 -8.2 -12.7 -17.8 108 108 A N - 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