==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-SEP-06 2DZY . COMPND 2 MOLECULE: CYSTEINE PROTEINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR P.A.O'FARRELL,L.JOSHUA-TOR . 457 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23201.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 331 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 35 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 1 2 3 2 0 0 1 2 1 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 5 2 0 2 3 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 0 0 0 0 1 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 -3 A F > 0 0 190 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -57.7 19.0 37.8 2.1 2 -2 A Q H > + 0 0 172 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.915 360.0 48.9 -54.6 -41.8 18.0 41.1 3.7 3 -1 A G H > S+ 0 0 45 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.965 111.8 45.2 -63.0 -53.8 19.3 39.7 6.9 4 0 A A H > S+ 0 0 63 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.883 113.1 53.7 -57.5 -37.3 22.6 38.5 5.5 5 1 A M H >< S+ 0 0 116 -4,-3.1 3,-1.0 1,-0.2 -1,-0.2 0.935 109.3 46.4 -62.6 -48.3 22.9 41.9 3.7 6 2 A S H 3< S+ 0 0 69 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.782 113.1 50.7 -66.6 -26.0 22.4 43.8 6.9 7 3 A S H 3< S+ 0 0 108 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.491 93.6 97.7 -90.1 -5.6 24.9 41.6 8.7 8 4 A S S << S- 0 0 68 -3,-1.0 2,-0.7 -4,-0.6 -3,-0.0 -0.304 87.2-102.6 -78.8 163.2 27.5 42.1 6.0 9 5 A I - 0 0 131 -2,-0.1 2,-0.6 4,-0.0 -1,-0.1 -0.831 39.0-153.5 -87.1 117.8 30.4 44.5 6.2 10 6 A D > - 0 0 75 -2,-0.7 4,-1.9 1,-0.1 5,-0.2 -0.856 8.8-148.5 -97.6 123.5 29.3 47.4 3.9 11 7 A I H > S+ 0 0 122 -2,-0.6 4,-1.5 1,-0.2 5,-0.2 0.822 97.5 51.4 -60.1 -34.9 32.1 49.4 2.4 12 8 A S H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.933 108.3 54.1 -69.0 -41.7 30.2 52.7 2.3 13 9 A K H > S+ 0 0 94 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.938 109.2 44.5 -54.7 -55.4 29.3 52.3 6.0 14 10 A I H X S+ 0 0 68 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.832 114.2 50.0 -63.7 -32.4 32.9 51.8 7.3 15 11 A N H X S+ 0 0 96 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.839 112.6 47.1 -75.0 -31.3 34.2 54.7 5.2 16 12 A S H X S+ 0 0 67 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.926 113.7 47.7 -72.2 -45.0 31.4 57.0 6.4 17 13 A W H X S+ 0 0 133 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.935 109.3 55.5 -59.4 -44.5 32.1 55.8 10.0 18 14 A N H X S+ 0 0 77 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.956 106.1 49.7 -53.7 -52.2 35.8 56.5 9.3 19 15 A K H X S+ 0 0 161 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.913 111.1 50.8 -53.9 -42.9 35.0 60.0 8.3 20 16 A E H >< S+ 0 0 127 -4,-2.3 3,-1.2 1,-0.2 4,-0.4 0.960 111.5 45.6 -60.7 -52.3 33.0 60.5 11.5 21 17 A F H >< S+ 0 0 94 -4,-2.9 3,-1.7 1,-0.3 7,-0.3 0.880 107.2 58.4 -59.2 -40.4 35.8 59.2 13.8 22 18 A Q H 3< S+ 0 0 75 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.700 96.7 63.6 -64.1 -18.1 38.5 61.2 12.1 23 19 A S T << S+ 0 0 93 -3,-1.2 2,-0.4 -4,-0.9 -1,-0.3 0.605 89.0 83.0 -81.1 -11.7 36.6 64.4 12.9 24 20 A D S <> S- 0 0 81 -3,-1.7 4,-1.9 -4,-0.4 5,-0.1 -0.800 72.7-148.0 -93.6 133.6 37.1 63.7 16.6 25 21 A L H > S+ 0 0 132 -2,-0.4 4,-2.6 2,-0.2 5,-0.2 0.861 95.4 55.0 -70.1 -37.1 40.4 64.8 18.1 26 22 A T H > S+ 0 0 81 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.935 111.2 47.4 -61.8 -41.9 40.8 62.1 20.7 27 23 A H H > S+ 0 0 67 -6,-0.2 4,-2.7 2,-0.2 5,-0.3 0.910 110.1 51.5 -65.2 -42.6 40.4 59.6 17.9 28 24 A Q H X S+ 0 0 77 -4,-1.9 4,-1.2 -7,-0.3 -1,-0.2 0.912 114.0 44.7 -59.9 -43.6 42.9 61.4 15.6 29 25 A L H X S+ 0 0 115 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.919 112.9 51.7 -65.6 -45.4 45.4 61.4 18.5 30 26 A A H X S+ 0 0 19 -4,-2.9 4,-3.4 1,-0.2 -2,-0.2 0.925 109.9 46.5 -59.8 -49.3 44.7 57.8 19.4 31 27 A T H X S+ 0 0 40 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.794 111.0 53.7 -68.1 -26.1 45.2 56.3 15.9 32 28 A T H X S+ 0 0 78 -4,-1.2 4,-0.6 -5,-0.3 3,-0.4 0.942 117.5 36.3 -70.0 -47.1 48.4 58.3 15.4 33 29 A V H >X S+ 0 0 56 -4,-2.3 4,-2.0 1,-0.2 3,-1.1 0.918 112.8 56.8 -72.4 -44.6 49.8 56.9 18.6 34 30 A L H 3< S+ 0 0 58 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.594 102.2 55.9 -67.9 -10.1 48.4 53.4 18.4 35 31 A K H 3< S+ 0 0 149 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.698 112.5 45.0 -88.5 -22.5 50.0 52.9 15.0 36 32 A N H << S+ 0 0 106 -3,-1.1 2,-0.3 -4,-0.6 -2,-0.2 0.854 116.3 25.9 -89.1 -40.4 53.4 53.7 16.5 37 33 A Y S < S- 0 0 163 -4,-2.0 -1,-0.1 1,-0.0 5,-0.0 -0.871 85.6 -87.0-131.2 162.2 53.5 51.7 19.8 38 34 A N > - 0 0 90 -2,-0.3 4,-2.4 1,-0.1 3,-0.2 -0.351 44.7-121.9 -57.4 140.6 52.1 48.7 21.7 39 35 A A H > S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.830 111.0 50.7 -61.1 -33.3 48.8 49.7 23.3 40 36 A D H > S+ 0 0 71 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.855 111.7 47.2 -73.1 -34.3 50.1 48.8 26.8 41 37 A D H 4 S+ 0 0 122 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.878 117.3 43.5 -73.1 -35.1 53.3 50.8 26.4 42 38 A A H < S+ 0 0 36 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.916 119.4 40.0 -75.0 -44.2 51.3 53.8 25.0 43 39 A L H < S+ 0 0 22 -4,-2.6 305,-3.3 -5,-0.2 -1,-0.2 0.491 75.5 126.8 -88.7 -4.6 48.5 53.7 27.5 44 40 A L B < -A 347 0A 42 -4,-1.1 2,-0.8 303,-0.3 303,-0.3 -0.324 57.9-136.4 -52.6 130.1 50.3 52.9 30.8 45 41 A N >> - 0 0 43 301,-3.5 4,-2.3 1,-0.2 3,-0.5 -0.790 22.9-175.8-100.1 102.9 49.2 55.7 33.2 46 42 A K H 3> S+ 0 0 154 -2,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.787 83.3 62.8 -67.6 -25.6 52.1 57.0 35.2 47 43 A T H 3> S+ 0 0 93 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.899 111.5 39.4 -63.2 -39.5 49.9 59.3 37.2 48 44 A R H <> S+ 0 0 56 -3,-0.5 4,-2.8 2,-0.2 3,-0.4 0.850 112.1 56.9 -74.4 -40.5 48.2 56.1 38.5 49 45 A L H X S+ 0 0 26 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.902 99.0 61.9 -59.5 -40.7 51.5 54.3 38.8 50 46 A Q H < S+ 0 0 161 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.891 114.4 32.0 -53.3 -44.2 52.8 57.0 41.0 51 47 A K H < S+ 0 0 131 -4,-0.8 -2,-0.2 -3,-0.4 -1,-0.2 0.917 120.3 47.3 -82.2 -47.2 50.1 56.2 43.6 52 48 A Q H < S+ 0 0 58 -4,-2.8 2,-2.5 1,-0.2 -2,-0.2 0.716 87.4 86.7 -70.1 -23.2 49.6 52.5 43.2 53 49 A D < + 0 0 55 -4,-2.3 2,-0.5 -5,-0.3 -1,-0.2 -0.422 61.1 147.7 -79.4 70.1 53.3 51.5 43.2 54 50 A N - 0 0 54 -2,-2.5 -3,-0.0 1,-0.1 -4,-0.0 -0.925 30.1-178.1-110.5 123.8 53.4 51.3 47.0 55 51 A R + 0 0 62 -2,-0.5 2,-0.6 354,-0.1 -1,-0.1 0.093 47.6 112.1-108.9 23.5 55.7 48.8 48.8 56 52 A V + 0 0 94 325,-0.0 2,-0.4 2,-0.0 -2,-0.1 -0.864 40.9 176.6 -97.4 121.9 54.8 49.5 52.4 57 53 A F - 0 0 28 -2,-0.6 324,-0.2 1,-0.1 3,-0.1 -0.984 20.7-166.1-130.9 121.8 52.9 46.6 54.0 58 54 A N S S+ 0 0 83 -2,-0.4 2,-0.4 1,-0.2 323,-0.2 0.490 81.2 50.1 -86.1 -4.5 51.8 46.6 57.6 59 55 A T E S+B 380 0B 20 321,-1.7 321,-1.9 2,-0.0 2,-0.3 -0.868 74.6 147.2-137.2 101.1 51.1 42.8 57.9 60 56 A V E -B 379 0B 62 -2,-0.4 319,-0.2 319,-0.2 2,-0.1 -0.874 49.4 -99.2-131.6 161.6 53.8 40.6 56.6 61 57 A V - 0 0 11 317,-2.0 262,-0.1 -2,-0.3 259,-0.1 -0.435 32.5-127.5 -75.6 159.3 55.4 37.2 57.2 62 58 A S S S+ 0 0 88 260,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.715 82.7 73.7 -82.9 -23.3 58.5 37.2 59.3 63 59 A T S S- 0 0 30 259,-0.1 2,-0.3 1,-0.0 -2,-0.1 -0.743 75.6-128.7 -98.5 144.0 60.8 35.2 57.0 64 60 A D - 0 0 118 -2,-0.3 2,-1.3 24,-0.1 28,-0.1 -0.620 16.7-123.9 -88.8 146.7 62.4 36.4 53.8 65 61 A S - 0 0 26 -2,-0.3 -1,-0.1 26,-0.0 4,-0.1 -0.703 42.7-158.1 -90.1 87.7 62.1 34.5 50.5 66 62 A T + 0 0 49 -2,-1.3 33,-1.5 33,-0.1 2,-0.1 -0.976 60.2 19.2-126.7 130.1 65.8 34.1 49.6 67 63 A P S S- 0 0 38 0, 0.0 2,-0.3 0, 0.0 32,-0.1 0.626 88.5-115.9 -89.3 179.8 66.9 33.7 47.0 68 64 A V - 0 0 48 -2,-0.1 332,-0.3 1,-0.1 2,-0.2 -0.574 34.7-134.0 -73.3 130.9 64.4 34.6 44.4 69 65 A T - 0 0 1 327,-0.4 330,-2.3 -2,-0.3 2,-0.4 -0.574 15.4-160.4 -89.7 151.8 63.4 31.5 42.4 70 66 A N B -N 398 0C 55 328,-0.3 328,-0.2 -2,-0.2 327,-0.0 -0.955 15.5-174.5-137.2 115.1 63.1 31.2 38.6 71 67 A Q - 0 0 5 326,-2.3 327,-0.1 -2,-0.4 2,-0.1 0.718 31.2-170.6 -76.9 -22.3 61.2 28.5 36.7 72 68 A K + 0 0 117 325,-0.4 2,-1.6 1,-0.2 -1,-0.2 -0.427 60.1 0.0 66.6-136.4 62.5 29.8 33.4 73 69 A S B S+o 176 0D 72 102,-1.9 104,-1.6 -2,-0.1 105,-0.5 -0.469 114.7 82.3 -86.2 66.1 60.9 28.3 30.3 74 70 A S S S- 0 0 15 -2,-1.6 2,-0.3 102,-0.2 3,-0.1 -0.972 81.6-117.3-158.2 159.7 58.5 26.0 31.9 75 71 A G S S+ 0 0 13 -2,-0.3 3,-0.4 1,-0.2 72,-0.2 -0.267 71.0 123.7 -97.7 47.7 55.0 26.1 33.5 76 72 A R > + 0 0 0 -2,-0.3 4,-2.0 1,-0.2 3,-0.3 0.061 27.5 117.7 -94.4 23.2 56.3 25.1 37.0 77 73 A C H > S+ 0 0 2 380,-0.6 4,-3.0 1,-0.2 5,-0.3 0.936 72.5 54.4 -53.0 -52.7 54.9 28.2 38.8 78 74 A W H > S+ 0 0 1 378,-0.7 4,-2.2 -3,-0.4 -1,-0.2 0.857 108.3 48.8 -53.6 -39.8 52.6 26.1 41.0 79 75 A L H > S+ 0 0 0 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.885 112.7 47.8 -70.6 -36.5 55.5 23.9 42.2 80 76 A F H X S+ 0 0 0 -4,-2.0 4,-2.5 -3,-0.2 -2,-0.2 0.924 115.9 43.6 -69.6 -42.2 57.7 27.0 43.0 81 77 A A H X S+ 0 0 2 -4,-3.0 4,-1.1 2,-0.2 -2,-0.2 0.855 112.2 52.8 -70.6 -35.9 54.8 28.8 44.8 82 78 A A H X S+ 0 0 0 -4,-2.2 4,-0.6 -5,-0.3 -1,-0.2 0.924 120.6 33.4 -65.5 -43.0 53.8 25.6 46.7 83 79 A T H X S+ 0 0 2 -4,-1.9 4,-3.4 2,-0.2 5,-0.3 0.773 108.1 66.0 -83.0 -29.1 57.3 25.1 47.9 84 80 A N H X S+ 0 0 2 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.816 103.5 51.9 -61.1 -26.2 58.2 28.8 48.2 85 81 A Q H < S+ 0 0 26 -4,-1.1 239,-0.3 -5,-0.2 -1,-0.2 0.817 117.0 36.4 -77.7 -32.8 55.5 28.6 50.9 86 82 A L H >X S+ 0 0 5 -4,-0.6 3,-2.7 -3,-0.2 4,-0.6 0.879 102.9 66.7 -89.6 -41.5 57.2 25.7 52.8 87 83 A R H >X S+ 0 0 2 -4,-3.4 4,-2.1 1,-0.3 3,-1.6 0.845 88.3 71.9 -48.9 -37.8 60.9 26.4 52.3 88 84 A L H 3X S+ 0 0 11 -4,-0.6 4,-2.0 -5,-0.3 -1,-0.3 0.824 93.1 57.2 -47.3 -33.7 60.4 29.5 54.5 89 85 A N H <> S+ 0 0 54 -3,-2.7 4,-2.3 176,-0.2 -1,-0.3 0.834 107.5 45.8 -68.5 -34.2 60.0 26.9 57.4 90 86 A V H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 3,-1.6 0.966 117.5 43.7 -44.1 -71.6 65.2 28.7 56.4 92 88 A S H 3< S+ 0 0 79 -4,-2.0 3,-0.4 1,-0.3 -1,-0.2 0.864 117.1 44.6 -38.8 -59.5 63.6 29.9 59.6 93 89 A E H 3< S+ 0 0 100 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.627 125.2 31.7 -68.3 -15.5 64.1 26.6 61.5 94 90 A L H << S- 0 0 25 -4,-2.1 -1,-0.2 -3,-1.6 152,-0.2 0.422 103.4-123.5-121.0 -2.9 67.7 26.1 60.5 95 91 A N < + 0 0 70 -4,-2.3 151,-1.9 -3,-0.4 2,-0.4 0.987 46.2 168.3 55.9 79.8 68.8 29.7 60.1 96 92 A L - 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