==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-MAR-06 2G7Y . COMPND 2 MOLECULE: CATHEPSIN S; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.SOMOZA . 435 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 18.9 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 . 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 . 32 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 20.0 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 1 1 0 2 0 0 2 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 4 0 2 4 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 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 L 0 0 104 0, 0.0 125,-0.1 0, 0.0 124,-0.0 0.000 360.0 360.0 360.0 143.6 11.2 3.2 22.1 2 2 A P - 0 0 66 0, 0.0 3,-0.1 0, 0.0 127,-0.0 -0.330 360.0-127.4 -64.0 144.7 12.8 0.7 24.4 3 3 A D S S+ 0 0 126 1,-0.1 2,-0.3 170,-0.0 0, 0.0 0.807 92.9 19.0 -61.4 -30.3 12.7 1.4 28.1 4 4 A S - 0 0 72 168,-0.1 2,-0.3 2,-0.0 168,-0.2 -0.982 64.5-172.0-142.8 153.9 16.5 0.9 28.2 5 5 A V E +A 171 0A 11 166,-2.5 166,-1.8 -2,-0.3 2,-0.2 -0.993 7.5 175.8-144.6 145.2 19.4 0.9 25.8 6 6 A D E > -A 170 0A 28 -2,-0.3 3,-1.4 164,-0.2 4,-0.4 -0.750 11.4-167.3-153.1 99.8 23.1 0.0 26.2 7 7 A W G > >S+ 0 0 20 162,-2.8 5,-1.9 1,-0.3 3,-1.0 0.682 84.1 73.2 -64.7 -17.2 25.3 0.1 23.1 8 8 A R G > 5S+ 0 0 97 161,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.876 91.1 58.8 -63.2 -34.4 28.1 -1.7 24.9 9 9 A E G < 5S+ 0 0 161 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.697 103.5 52.2 -67.1 -19.2 25.9 -4.9 24.6 10 10 A K G < 5S- 0 0 99 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.245 116.0-114.7-100.5 11.6 25.9 -4.5 20.9 11 11 A G T < 5S+ 0 0 32 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.791 81.3 123.6 61.2 30.7 29.7 -4.3 20.7 12 12 A C < + 0 0 1 -5,-1.9 2,-0.5 157,-0.1 -4,-0.2 0.350 51.3 78.2-102.2 5.0 29.5 -0.7 19.4 13 13 A V - 0 0 20 -6,-0.3 3,-0.1 -5,-0.2 34,-0.1 -0.963 66.9-146.3-121.8 126.4 31.7 0.9 22.2 14 14 A T - 0 0 7 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.215 43.4 -69.0 -78.2 174.6 35.5 0.8 22.3 15 15 A E - 0 0 132 1,-0.1 -1,-0.2 -2,-0.0 2,-0.1 -0.198 60.3 -90.9 -63.6 156.7 37.5 0.7 25.6 16 16 A V - 0 0 7 177,-0.2 2,-0.2 -3,-0.1 172,-0.2 -0.450 45.5-146.5 -67.8 139.6 37.5 3.7 27.9 17 17 A K - 0 0 38 167,-0.4 170,-2.4 170,-0.2 2,-0.5 -0.672 6.1-132.2-107.1 164.3 40.4 6.1 27.1 18 18 A Y B -I 186 0B 165 168,-0.3 168,-0.2 -2,-0.2 167,-0.0 -0.961 13.4-170.9-119.7 113.0 42.5 8.3 29.4 19 19 A Q > - 0 0 16 166,-2.3 3,-0.7 -2,-0.5 5,-0.2 0.673 20.9-167.1 -78.3 -17.9 43.0 11.9 28.2 20 20 A G T 3 - 0 0 26 1,-0.2 2,-0.4 165,-0.2 -1,-0.2 -0.287 61.0 -21.9 65.1-150.1 45.6 12.8 30.8 21 21 A S T 3 S+ 0 0 125 73,-0.1 2,-0.4 2,-0.1 -1,-0.2 -0.118 114.7 95.8 -89.1 40.1 46.5 16.5 31.3 22 22 A a S < S- 0 0 1 -3,-0.7 2,-2.8 -2,-0.4 45,-0.1 -0.995 75.8-133.2-129.9 122.2 45.2 17.4 27.8 23 23 A G B +j 67 0C 27 43,-2.1 45,-0.7 -2,-0.4 3,-0.4 -0.312 61.4 130.8 -74.5 61.9 41.7 18.7 27.4 24 24 A A >> + 0 0 0 -2,-2.8 4,-2.1 1,-0.2 3,-0.7 0.157 24.2 115.6 -99.7 17.5 40.9 16.5 24.5 25 25 A C H 3> S+ 0 0 11 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.856 73.3 59.8 -55.7 -33.9 37.6 15.2 25.8 26 26 A W H 3> S+ 0 0 5 -3,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.905 107.2 45.9 -60.6 -40.8 35.8 16.8 22.8 27 27 A A H <> S+ 0 0 0 -3,-0.7 4,-2.6 2,-0.2 5,-0.3 0.882 111.7 50.5 -69.8 -39.4 37.9 14.7 20.5 28 28 A F H X S+ 0 0 21 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.887 110.5 50.6 -65.8 -37.1 37.3 11.5 22.4 29 29 A S H X S+ 0 0 2 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.941 111.7 48.6 -63.9 -46.2 33.6 12.2 22.4 30 30 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.942 113.6 43.1 -60.7 -52.8 33.7 12.8 18.6 31 31 A V H X S+ 0 0 3 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.898 109.6 59.5 -63.0 -38.1 35.6 9.6 17.7 32 32 A G H X S+ 0 0 3 -4,-2.2 4,-1.2 -5,-0.3 -1,-0.2 0.892 106.5 46.7 -56.0 -42.6 33.5 7.6 20.1 33 33 A A H X S+ 0 0 0 -4,-1.8 4,-1.4 -3,-0.2 3,-0.3 0.915 114.4 46.3 -66.8 -43.0 30.3 8.5 18.3 34 34 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.847 104.2 64.0 -68.7 -32.6 31.9 7.7 14.9 35 35 A E H X S+ 0 0 3 -4,-3.0 4,-1.8 1,-0.2 11,-0.3 0.877 102.8 48.3 -57.7 -39.8 33.3 4.4 16.3 36 36 A A H X S+ 0 0 0 -4,-1.2 4,-2.3 -3,-0.3 -1,-0.2 0.916 111.7 48.4 -68.1 -43.8 29.7 3.2 16.8 37 37 A Q H X S+ 0 0 24 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.904 109.2 53.8 -62.8 -40.6 28.6 4.2 13.3 38 38 A L H X S+ 0 0 13 -4,-2.8 4,-2.8 1,-0.2 6,-0.5 0.906 109.9 48.3 -59.6 -41.7 31.7 2.5 11.8 39 39 A K H X S+ 0 0 57 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.897 110.8 49.9 -65.9 -42.0 30.8 -0.7 13.7 40 40 A L H < S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.882 117.7 40.4 -65.4 -36.9 27.2 -0.6 12.5 41 41 A K H < S+ 0 0 69 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.891 132.2 18.8 -80.0 -42.6 28.3 -0.1 8.9 42 42 A T H < S- 0 0 82 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.560 93.3-123.0-107.8 -12.7 31.3 -2.5 8.6 43 43 A G S < S+ 0 0 43 -4,-2.0 2,-0.4 -5,-0.4 -4,-0.2 0.450 75.8 113.2 83.8 -0.6 30.8 -4.8 11.5 44 44 A K - 0 0 145 -6,-0.5 2,-0.7 2,-0.0 -1,-0.2 -0.907 59.1-144.9-111.0 132.2 34.3 -4.0 12.9 45 45 A L + 0 0 72 -2,-0.4 2,-0.4 -6,-0.1 -9,-0.1 -0.840 31.6 166.8 -94.6 118.6 34.9 -2.2 16.2 46 46 A V - 0 0 52 -2,-0.7 2,-0.2 -11,-0.3 -32,-0.1 -0.994 35.7-125.2-137.9 130.3 37.9 0.0 15.8 47 47 A S - 0 0 33 -2,-0.4 40,-2.2 -34,-0.1 41,-0.4 -0.539 30.9-144.6 -72.6 137.5 39.3 2.8 18.0 48 48 A L B -K 86 0D 2 38,-0.3 2,-0.8 -2,-0.2 38,-0.3 -0.668 24.8 -90.5-103.0 159.4 39.7 6.1 16.1 49 49 A S > + 0 0 0 36,-2.8 4,-1.0 -2,-0.2 36,-0.1 -0.562 35.1 175.3 -76.9 104.6 42.5 8.7 16.5 50 50 A A H > S+ 0 0 0 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.845 86.7 58.8 -71.2 -32.0 41.5 11.4 19.0 51 51 A Q H > S+ 0 0 0 39,-0.4 4,-2.9 1,-0.2 5,-0.3 0.866 96.2 61.3 -63.3 -37.7 45.0 12.8 18.5 52 52 A N H > S+ 0 0 0 38,-0.4 4,-2.1 1,-0.2 5,-0.4 0.924 108.2 44.2 -54.6 -45.0 44.3 13.1 14.7 53 53 A L H X S+ 0 0 0 -4,-1.0 4,-1.8 3,-0.2 -1,-0.2 0.893 111.7 52.8 -68.1 -40.8 41.6 15.6 15.7 54 54 A V H < S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.905 118.3 35.4 -61.4 -44.2 43.7 17.4 18.3 55 55 A D H < S+ 0 0 9 -4,-2.9 44,-0.4 43,-0.1 -1,-0.2 0.763 132.6 25.4 -82.0 -28.7 46.6 18.0 15.8 56 56 A b H < S+ 0 0 14 -4,-2.1 2,-1.9 -5,-0.3 -3,-0.2 0.770 104.8 67.9-110.0 -35.0 44.5 18.6 12.6 57 57 A S S < S+ 0 0 0 -4,-1.8 8,-0.4 -5,-0.4 -1,-0.2 -0.570 82.9 123.7 -86.9 74.5 41.0 19.8 13.5 58 57AA T > > - 0 0 37 -2,-1.9 5,-2.2 -3,-0.1 3,-2.0 0.391 66.3 -11.6-105.7-127.1 42.4 23.1 14.7 59 57BA E G > 5S+ 0 0 129 1,-0.3 3,-2.3 3,-0.2 320,-0.4 0.849 125.4 57.9 -47.6 -48.5 42.0 26.8 14.0 60 57CA K G 3 5S+ 0 0 54 1,-0.3 -1,-0.3 2,-0.1 -3,-0.1 0.720 113.1 43.2 -58.8 -19.6 40.0 26.5 10.8 61 58 A Y G < 5S- 0 0 32 -3,-2.0 -1,-0.3 2,-0.2 9,-0.3 0.250 116.6-111.6-110.3 12.0 37.5 24.6 13.0 62 59 A G T < 5S+ 0 0 5 -3,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.689 74.4 134.1 67.4 19.1 37.5 26.8 16.0 63 60 A N < - 0 0 4 -5,-2.2 6,-0.2 6,-0.1 -1,-0.2 -0.708 45.6-159.8-102.6 155.6 39.3 24.2 18.1 64 61 A K > - 0 0 118 4,-3.4 3,-3.0 1,-0.3 5,-0.1 -0.187 27.4-135.9-127.0 41.7 42.2 24.6 20.4 65 62 A G T > S+ 0 0 1 -8,-0.4 3,-1.5 1,-0.3 -1,-0.3 -0.138 89.2 9.6 46.0-119.5 43.6 21.1 20.8 66 63 A a T 3 S+ 0 0 20 1,-0.3 -43,-2.1 -12,-0.1 -1,-0.3 0.521 128.9 63.4 -68.6 -3.4 44.5 20.4 24.4 67 64 A N B < S-j 23 0C 134 -3,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.089 119.0 -73.0-108.7 22.5 42.7 23.6 25.3 68 65 A G < - 0 0 28 -3,-1.5 -4,-3.4 -45,-0.7 -1,-0.3 -0.055 49.3-172.5 107.5 153.8 39.2 22.6 24.1 69 66 A G - 0 0 26 -6,-0.2 2,-0.4 -5,-0.1 -6,-0.1 -0.972 26.8 -94.3-167.7 176.8 37.2 22.0 21.0 70 67 A F > - 0 0 95 -2,-0.3 4,-1.2 -9,-0.3 5,-0.1 -0.859 14.6-147.5-108.5 141.9 33.7 21.3 19.5 71 68 A M H > S+ 0 0 22 -2,-0.4 4,-1.9 2,-0.2 -1,-0.1 0.884 100.5 51.5 -72.2 -37.9 32.4 17.8 18.6 72 69 A T H > S+ 0 0 16 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 110.2 46.1 -65.7 -44.8 30.4 19.2 15.6 73 70 A T H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.815 109.3 57.1 -69.5 -27.1 33.4 21.0 14.0 74 74 A A H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.923 106.1 49.9 -66.8 -42.5 35.4 17.9 14.6 75 75 A F H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.915 108.8 51.8 -61.6 -42.3 32.9 15.9 12.6 76 76 A Q H X S+ 0 0 11 -4,-2.1 4,-3.3 1,-0.2 5,-0.2 0.871 105.4 55.9 -63.8 -35.5 33.1 18.5 9.8 77 77 A Y H X S+ 0 0 12 -4,-1.9 4,-3.2 1,-0.2 6,-0.3 0.919 106.2 50.4 -61.0 -44.4 36.9 18.2 9.7 78 78 A I H X>S+ 0 0 0 -4,-1.8 5,-1.6 2,-0.2 4,-0.8 0.900 113.6 45.9 -61.1 -39.2 36.5 14.4 9.1 79 79 A I H ><5S+ 0 0 39 -4,-1.9 3,-1.0 2,-0.2 -2,-0.2 0.977 116.3 43.7 -65.9 -55.2 34.1 15.2 6.3 80 80 A D H 3<5S+ 0 0 57 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.855 116.6 48.0 -56.3 -40.2 36.3 17.9 4.8 81 81 A N H 3<5S- 0 0 47 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.609 104.6-131.4 -78.4 -14.8 39.4 15.7 5.2 82 82 A K T <<5S+ 0 0 156 -3,-1.0 2,-0.3 -4,-0.8 -3,-0.2 0.736 73.9 10.9 68.6 24.0 37.7 12.7 3.7 83 83 A G < - 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0 0 59 -2,-0.4 2,-0.1 -46,-0.2 3,-0.1 -0.787 39.6 -83.6-128.1 171.4 51.4 18.2 17.8 98 98 A K - 0 0 76 -2,-0.3 2,-0.3 1,-0.1 -42,-0.1 -0.473 61.3 -90.0 -73.0 147.6 51.8 19.0 14.1 99 99 A b + 0 0 71 -44,-0.4 -1,-0.1 1,-0.1 -47,-0.1 -0.439 48.0 174.5 -63.5 122.0 49.1 17.4 11.9 100 100 A Q + 0 0 113 -2,-0.3 -1,-0.1 -48,-0.1 -48,-0.1 0.053 16.5 153.5-118.5 25.4 50.3 14.0 10.8 101 101 A Y + 0 0 47 -49,-0.1 2,-0.3 2,-0.0 -17,-0.0 -0.236 15.8 178.9 -57.2 141.4 47.2 12.7 9.0 102 102 A D > - 0 0 62 1,-0.0 3,-2.1 0, 0.0 4,-0.1 -0.942 27.7-144.0-147.1 119.4 47.9 10.1 6.3 103 103 A S G > S+ 0 0 66 -2,-0.3 3,-1.4 1,-0.3 -19,-0.1 0.681 94.9 74.9 -60.5 -17.2 45.1 8.5 4.3 104 104 A K G 3 S+ 0 0 141 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.710 101.4 42.9 -69.1 -15.6 47.0 5.2 4.2 105 105 A Y G < S+ 0 0 108 -3,-2.1 -19,-1.6 -16,-0.0 -1,-0.3 0.238 83.3 138.6-110.3 10.9 46.0 4.7 7.8 106 106 A R E < +L 85 0E 115 -3,-1.4 -21,-0.3 -21,-0.2 3,-0.1 -0.328 21.6 171.8 -58.1 132.8 42.4 5.9 7.4 107 107 A A E + 0 0 31 -23,-2.6 2,-0.3 1,-0.3 -22,-0.2 0.471 60.4 14.1-121.5 -8.6 40.0 3.8 9.3 108 108 A A E -L 84 0E 7 -24,-1.2 -24,-1.6 -30,-0.0 -1,-0.3 -0.988 54.8-155.7-160.8 163.9 36.7 5.7 8.9 109 109 A T - 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