==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JUL-96 1CJL . COMPND 2 MOLECULE: PROCATHEPSIN L; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.COULOMBE,P.GROCHULSKI,J.SIVARAMAN,M.CYGLER . 307 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14820.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 14.3 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 21 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 2 0 0 0 2 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 4 2 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 5PA D > 0 0 136 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-165.1 -7.3 9.6 -16.2 2 6PA H H > + 0 0 171 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.835 360.0 59.3 -56.7 -35.2 -10.9 8.9 -15.3 3 7PA S H > S+ 0 0 59 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.949 105.1 47.3 -60.7 -48.5 -9.7 6.6 -12.6 4 8PA L H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 112.9 48.8 -60.1 -43.8 -7.6 9.3 -10.8 5 9PA E H X S+ 0 0 90 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.884 112.8 49.0 -62.8 -40.5 -10.5 11.7 -11.0 6 10PA A H X S+ 0 0 43 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.897 110.1 49.4 -67.2 -43.4 -12.9 9.1 -9.6 7 11PA Q H X S+ 0 0 89 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.891 110.8 50.5 -64.1 -40.5 -10.6 8.1 -6.7 8 12PA W H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.928 111.0 48.9 -63.1 -45.6 -10.2 11.8 -5.7 9 13PA T H X S+ 0 0 71 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.908 112.3 49.1 -60.7 -42.8 -14.0 12.3 -5.8 10 14PA K H X S+ 0 0 147 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.905 110.0 49.8 -65.2 -42.1 -14.4 9.1 -3.6 11 15PA W H X S+ 0 0 15 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.921 111.1 50.7 -62.2 -45.5 -11.8 10.2 -1.1 12 16PA K H <>S+ 0 0 41 -4,-2.4 5,-2.7 2,-0.2 -2,-0.2 0.950 114.6 42.6 -56.8 -51.4 -13.4 13.6 -0.8 13 17PA A H ><5S+ 0 0 64 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.959 111.9 54.2 -60.6 -52.0 -16.9 12.1 -0.2 14 18PA M H 3<5S+ 0 0 139 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.826 118.2 35.9 -51.6 -38.2 -15.5 9.4 2.2 15 19PA H T 3<5S- 0 0 43 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.198 111.4-119.8-103.7 16.1 -13.9 12.1 4.3 16 20PA N T < 5 + 0 0 147 -3,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.888 47.8 175.9 45.2 55.9 -16.7 14.7 3.8 17 21PA R < + 0 0 70 -5,-2.7 2,-0.5 -6,-0.1 -1,-0.2 -0.761 16.7 179.6 -95.5 130.0 -14.5 17.3 2.2 18 22PA L + 0 0 173 -2,-0.5 2,-0.3 -5,-0.0 -5,-0.0 -0.961 11.5 179.8-130.3 109.9 -15.9 20.6 0.8 19 23PA Y - 0 0 35 -2,-0.5 2,-0.1 1,-0.1 -2,-0.0 -0.781 27.5-115.8-110.3 157.7 -13.3 22.9 -0.7 20 24PA G > - 0 0 41 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.372 45.0 -92.4 -80.5 169.7 -13.6 26.3 -2.3 21 25PA M H > S+ 0 0 184 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.838 124.7 38.4 -53.3 -41.0 -12.8 26.7 -6.0 22 26PA N H > S+ 0 0 137 2,-0.2 4,-1.0 1,-0.1 -1,-0.2 0.854 115.4 50.5 -81.1 -36.7 -9.1 27.7 -5.3 23 27PA E H > S+ 0 0 62 1,-0.2 4,-2.9 2,-0.2 3,-0.4 0.923 100.0 65.2 -65.9 -45.0 -8.4 25.4 -2.4 24 28PA E H X S+ 0 0 49 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.877 99.9 55.0 -42.6 -46.1 -9.7 22.4 -4.4 25 29PA G H X S+ 0 0 49 -4,-0.7 4,-1.1 1,-0.2 -1,-0.2 0.899 114.4 33.9 -59.0 -50.4 -6.9 22.9 -6.8 26 30PA W H X S+ 0 0 99 -4,-1.0 4,-2.1 -3,-0.4 -1,-0.2 0.797 113.2 59.8 -80.9 -25.8 -4.0 22.8 -4.4 27 31PA R H X S+ 0 0 18 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.937 106.5 48.8 -64.9 -42.9 -5.6 20.3 -2.0 28 32PA R H X S+ 0 0 49 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.874 108.1 53.6 -63.1 -38.2 -5.7 17.8 -4.9 29 33PA A H X S+ 0 0 55 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.907 110.2 47.4 -62.2 -43.4 -2.1 18.4 -5.8 30 34PA V H X S+ 0 0 35 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.963 113.3 48.9 -61.3 -50.3 -1.1 17.6 -2.2 31 35PA W H X S+ 0 0 11 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.862 110.7 49.7 -58.7 -40.9 -3.3 14.5 -2.3 32 36PA E H X S+ 0 0 75 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.903 107.6 52.8 -68.7 -39.3 -1.8 13.3 -5.6 33 37PA K H X S+ 0 0 146 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.907 111.9 47.4 -61.7 -40.4 1.8 13.7 -4.5 34 38PA N H X S+ 0 0 12 -4,-2.0 4,-2.1 26,-0.3 -1,-0.2 0.888 110.6 51.1 -66.6 -42.7 1.0 11.6 -1.4 35 39PA M H X S+ 0 0 40 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.852 109.4 52.4 -62.8 -37.6 -0.7 9.0 -3.5 36 40PA K H X S+ 0 0 131 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.909 110.9 44.9 -66.0 -45.4 2.3 8.8 -5.8 37 41PA M H X S+ 0 0 52 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.857 110.3 54.7 -68.8 -33.5 4.8 8.3 -2.9 38 42PA I H X S+ 0 0 10 -4,-2.1 4,-2.5 2,-0.2 16,-0.3 0.911 111.3 46.9 -64.5 -39.2 2.5 5.7 -1.3 39 43PA E H X S+ 0 0 126 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.960 114.2 44.3 -64.5 -56.8 2.5 3.8 -4.6 40 44PA L H X S+ 0 0 96 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.926 114.8 51.0 -56.4 -43.8 6.2 4.0 -5.2 41 45PA H H X S+ 0 0 16 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.940 108.7 49.7 -60.5 -50.4 6.9 3.0 -1.6 42 46PA N H X S+ 0 0 30 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.804 108.4 53.5 -62.0 -28.6 4.6 0.0 -1.7 43 47PA Q H X S+ 0 0 85 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.947 108.1 50.1 -69.9 -44.5 6.2 -1.3 -4.8 44 48PA E H <>S+ 0 0 80 -4,-2.2 5,-3.2 1,-0.2 6,-0.4 0.803 107.6 55.6 -62.2 -27.7 9.6 -1.0 -3.1 45 49PA Y H ><5S+ 0 0 93 -4,-1.6 3,-2.0 4,-0.2 5,-0.3 0.941 105.3 50.3 -68.7 -46.4 8.0 -2.9 -0.2 46 50PA R H 3<5S+ 0 0 162 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.824 108.0 54.3 -58.7 -33.2 7.0 -5.8 -2.6 47 51PA E T 3<5S- 0 0 106 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.528 123.5-110.9 -77.5 -7.7 10.6 -5.7 -3.8 48 52PA G T < 5S+ 0 0 62 -3,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.586 84.5 122.7 88.8 12.3 11.7 -6.2 -0.2 49 53PA K S - 0 0 15 224,-0.0 3,-1.7 -2,-0.0 224,-0.1 -0.685 55.7 -61.5-142.2-163.8 -6.0 8.0 5.1 58 62PA A T 3 S+ 0 0 36 1,-0.3 3,-0.4 -2,-0.2 -2,-0.1 0.680 126.2 62.1 -63.3 -15.4 -7.9 11.0 6.4 59 63PA F T > + 0 0 30 1,-0.2 3,-1.2 177,-0.2 -1,-0.3 0.242 68.9 111.0 -96.6 15.8 -4.6 13.0 6.4 60 64PA G T < S+ 0 0 0 -3,-1.7 -26,-0.3 1,-0.2 -1,-0.2 0.730 81.7 38.9 -62.4 -27.8 -4.2 12.8 2.6 61 65PA D T 3 S+ 0 0 9 -3,-0.4 -1,-0.2 -31,-0.1 -30,-0.1 0.359 89.7 123.3-103.7 3.3 -4.8 16.4 1.9 62 66PA M < - 0 0 26 -3,-1.2 2,-0.2 -32,-0.1 -3,-0.0 -0.388 53.1-137.5 -71.6 140.9 -3.0 17.8 4.9 63 67PA T > - 0 0 24 -2,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.525 22.9-114.8 -91.2 162.3 -0.1 20.3 4.6 64 68PA S H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.873 118.6 54.9 -64.5 -36.3 3.1 20.2 6.6 65 69PA E H > S+ 0 0 100 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.935 110.7 44.8 -62.0 -44.8 2.2 23.5 8.3 66 70PA E H > S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.837 109.1 57.3 -67.6 -35.7 -1.2 21.9 9.4 67 71PA F H X>S+ 0 0 17 -4,-2.2 4,-2.4 1,-0.2 5,-0.7 0.970 107.1 46.9 -59.2 -52.6 0.6 18.7 10.5 68 72PA R H <5S+ 0 0 153 -4,-2.4 4,-0.2 1,-0.2 -1,-0.2 0.827 114.0 52.0 -59.9 -30.0 2.8 20.6 12.9 69 73PA Q H <5S+ 0 0 136 -4,-1.4 46,-0.5 -5,-0.2 -1,-0.2 0.916 127.9 8.1 -75.3 -46.4 -0.2 22.5 14.1 70 74PA V H <5S+ 0 0 20 -4,-2.4 44,-0.7 44,-0.2 46,-0.4 0.652 120.6 56.9-114.8 -15.5 -2.7 19.7 15.0 71 75PA M T <5S+ 0 0 7 -4,-2.4 -3,-0.2 -5,-0.4 -4,-0.1 0.662 106.2 39.3 -92.3 -20.8 -1.0 16.3 14.8 72 76PA N < + 0 0 8 -5,-0.7 45,-1.6 -4,-0.2 183,-0.2 0.272 51.9 178.6-101.5-137.4 1.9 16.7 17.2 73 77PA G + 0 0 10 181,-1.1 87,-2.1 1,-0.3 2,-0.4 0.450 31.9 126.4 147.9 0.8 2.2 18.4 20.5 74 78PA L B -b 160 0B 22 180,-2.2 -1,-0.3 85,-0.2 87,-0.2 -0.709 51.2-126.8 -93.8 139.4 5.6 18.2 22.2 75 79PA Q - 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0 0 163 -2,-0.6 121,-0.0 121,-0.1 -2,-0.0 -0.895 22.2-120.9 -99.1 124.4 18.1 2.6 37.5 87 91PA E - 0 0 47 -2,-0.6 2,-0.7 1,-0.1 126,-0.1 -0.486 25.2-131.4 -64.8 119.1 18.4 -0.2 35.0 88 92PA P > - 0 0 46 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.674 19.8-169.4 -75.8 114.5 18.4 -3.4 37.0 89 93PA L T 3 S+ 0 0 120 -2,-0.7 -2,-0.0 1,-0.2 0, 0.0 0.854 83.1 56.1 -71.9 -36.8 21.3 -5.6 35.7 90 94PA F T 3 S+ 0 0 209 2,-0.1 2,-0.5 0, 0.0 -1,-0.2 0.276 90.9 89.8 -81.7 12.8 20.2 -8.7 37.5 91 95PA Y < - 0 0 78 -3,-0.8 2,-0.6 2,-0.0 125,-0.0 -0.938 63.0-156.9-111.1 130.6 16.8 -8.7 35.8 92 96PA E - 0 0 182 -2,-0.5 -3,-0.1 124,-0.0 -2,-0.1 -0.937 14.8-141.8-110.6 112.7 16.3 -10.4 32.5 93 1 A A - 0 0 20 -2,-0.6 123,-0.1 1,-0.1 4,-0.0 -0.419 23.7-103.8 -73.0 146.8 13.4 -9.1 30.5 94 2 A P - 0 0 60 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.228 29.6-109.3 -65.6 161.3 11.2 -11.5 28.4 95 3 A R S S+ 0 0 182 1,-0.2 2,-0.3 169,-0.0 -2,-0.1 0.748 99.4 12.4 -63.0 -27.7 11.6 -11.7 24.7 96 4 A S - 0 0 66 167,-0.1 2,-0.3 123,-0.0 167,-0.2 -0.995 60.1-172.7-153.6 150.5 8.2 -10.0 24.2 97 5 A V E +D 262 0C 20 165,-2.8 165,-2.3 -2,-0.3 2,-0.2 -0.992 5.3 175.8-144.1 142.2 5.6 -8.0 26.2 98 6 A D E > -D 261 0C 34 -2,-0.3 3,-1.6 163,-0.2 163,-0.2 -0.741 8.6-171.1-152.1 95.8 2.2 -6.7 25.3 99 7 A W G >>>S+ 0 0 30 161,-2.9 5,-2.2 1,-0.3 3,-1.2 0.614 80.0 74.8 -65.5 -14.7 0.2 -5.0 28.1 100 8 A R G 345S+ 0 0 93 160,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.780 92.3 56.9 -68.0 -26.6 -3.0 -4.9 26.0 101 9 A E G <45S+ 0 0 153 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.528 105.5 50.3 -79.9 -8.4 -3.3 -8.6 26.7 102 10 A K T <45S- 0 0 134 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.462 118.4-110.4-104.5 -7.9 -3.2 -7.9 30.4 103 11 A G T <5S+ 0 0 26 -4,-0.5 -3,-0.2 -3,-0.4 -2,-0.1 0.731 81.8 124.7 84.7 25.6 -5.9 -5.3 30.2 104 12 A Y < + 0 0 34 -5,-2.2 2,-0.4 156,-0.1 27,-0.2 0.661 56.6 75.2 -86.6 -21.7 -3.7 -2.3 30.9 105 13 A V - 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