==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-JAN-06 2FT2 . 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) . 18177.0 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 . 10 2.3 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 . 86 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 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 . 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 . 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 97 0, 0.0 125,-0.1 0, 0.0 124,-0.0 0.000 360.0 360.0 360.0 154.3 46.4 54.4 90.9 2 2 A P - 0 0 66 0, 0.0 3,-0.1 0, 0.0 127,-0.1 -0.366 360.0-126.9 -65.8 149.4 43.7 56.1 88.8 3 3 A D S S+ 0 0 127 1,-0.1 2,-0.3 170,-0.0 0, 0.0 0.793 91.4 22.9 -65.6 -28.2 44.4 56.1 85.0 4 4 A S - 0 0 74 168,-0.1 2,-0.3 2,-0.0 168,-0.2 -0.985 61.3-175.9-142.8 152.3 43.8 59.9 85.0 5 5 A V E +A 171 0A 12 166,-2.6 166,-2.1 -2,-0.3 2,-0.3 -0.996 6.8 174.2-146.4 141.4 43.9 62.9 87.3 6 6 A D E > -A 170 0A 27 -2,-0.3 3,-1.8 164,-0.2 4,-0.3 -0.771 13.0-165.0-150.3 99.1 43.1 66.5 86.9 7 7 A W G > >S+ 0 0 17 162,-2.9 5,-2.0 1,-0.3 3,-0.7 0.613 85.4 73.1 -63.2 -12.3 43.1 68.7 90.1 8 8 A R G > 5S+ 0 0 104 161,-0.3 3,-1.5 1,-0.2 -1,-0.3 0.845 90.8 60.5 -68.3 -30.9 41.2 71.5 88.3 9 9 A E G < 5S+ 0 0 161 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.703 103.5 49.5 -66.6 -21.9 38.2 69.2 88.6 10 10 A K G < 5S- 0 0 97 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.238 116.0-114.8-101.7 11.1 38.6 69.2 92.4 11 11 A G T < 5S+ 0 0 31 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.788 81.1 122.9 61.6 31.4 38.8 73.0 92.5 12 12 A C < + 0 0 3 -5,-2.0 2,-0.5 157,-0.1 -4,-0.2 0.254 50.8 80.6-105.6 10.9 42.4 73.0 93.8 13 13 A V - 0 0 19 -6,-0.3 3,-0.1 -5,-0.2 34,-0.1 -0.971 66.5-146.9-124.4 123.0 44.0 75.0 91.0 14 14 A T - 0 0 7 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.185 42.1 -69.1 -76.6 174.7 43.9 78.8 90.8 15 15 A E - 0 0 147 1,-0.1 -1,-0.2 -2,-0.0 2,-0.1 -0.275 60.9 -91.2 -65.2 149.5 43.7 80.8 87.6 16 16 A V - 0 0 17 177,-0.2 172,-0.3 -3,-0.1 2,-0.2 -0.393 45.1-146.6 -63.9 135.3 46.8 80.9 85.3 17 17 A K - 0 0 35 167,-0.4 170,-2.5 170,-0.2 2,-0.5 -0.602 6.6-133.3-103.2 164.8 49.2 83.7 86.1 18 18 A Y B -I 186 0B 161 168,-0.3 168,-0.2 -2,-0.2 167,-0.0 -0.945 13.1-172.4-121.9 108.5 51.5 85.8 83.8 19 19 A Q > - 0 0 15 166,-2.7 3,-1.3 -2,-0.5 167,-0.1 0.694 22.8-168.7 -74.4 -18.6 55.0 86.3 85.1 20 20 A G T 3 - 0 0 25 165,-0.2 -1,-0.2 1,-0.2 4,-0.1 -0.328 60.4 -22.3 65.9-146.4 56.0 88.8 82.4 21 21 A S T 3 S+ 0 0 135 73,-0.1 2,-0.5 2,-0.1 -1,-0.2 0.271 113.8 98.2 -84.7 13.5 59.6 89.7 82.0 22 22 A a S < S- 0 0 2 -3,-1.3 2,-2.4 73,-0.1 45,-0.1 -0.889 75.9-132.9-104.1 126.8 60.5 88.7 85.6 23 23 A G B +j 67 0C 25 43,-2.2 45,-1.0 -2,-0.5 3,-0.3 -0.372 61.0 131.2 -77.4 65.0 62.0 85.2 86.0 24 24 A A >> + 0 0 0 -2,-2.4 4,-2.1 1,-0.2 3,-0.8 0.064 19.5 122.7-104.4 23.9 59.7 84.2 88.8 25 25 A C H 3> S+ 0 0 17 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.881 74.7 55.7 -52.0 -40.8 58.6 80.8 87.4 26 26 A W H 3> S+ 0 0 2 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.859 107.1 49.3 -60.9 -37.4 60.0 79.2 90.6 27 27 A A H <> S+ 0 0 0 -3,-0.8 4,-2.4 2,-0.2 5,-0.2 0.891 112.3 46.9 -70.7 -40.4 57.8 81.4 92.8 28 28 A F H X S+ 0 0 19 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.889 111.6 51.7 -68.5 -37.6 54.6 80.7 90.7 29 29 A S H X S+ 0 0 3 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.937 111.7 47.5 -62.8 -45.4 55.4 76.9 90.8 30 30 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.931 113.5 44.7 -63.5 -49.4 55.8 77.0 94.6 31 31 A V H X S+ 0 0 4 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.886 109.6 57.8 -64.9 -35.5 52.6 79.0 95.3 32 32 A G H X S+ 0 0 5 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.922 107.5 47.2 -59.2 -43.7 50.6 76.8 92.9 33 33 A A H X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 3,-0.3 0.915 114.5 46.0 -64.5 -42.0 51.6 73.7 94.8 34 34 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.851 103.0 64.4 -70.7 -33.0 50.7 75.3 98.2 35 35 A E H X S+ 0 0 3 -4,-2.8 4,-1.8 1,-0.2 11,-0.3 0.865 102.7 49.4 -57.6 -37.8 47.4 76.7 96.9 36 36 A A H X S+ 0 0 0 -4,-1.2 4,-2.6 -3,-0.3 -1,-0.2 0.930 110.7 48.6 -67.9 -46.2 46.1 73.1 96.3 37 37 A Q H X S+ 0 0 23 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.888 109.7 53.1 -61.2 -38.3 47.2 72.0 99.8 38 38 A L H X>S+ 0 0 13 -4,-2.7 4,-2.8 2,-0.2 5,-0.6 0.906 109.8 48.4 -63.4 -41.1 45.4 75.1 101.2 39 39 A K H X5S+ 0 0 59 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.918 111.3 50.1 -64.6 -43.2 42.2 74.1 99.4 40 40 A L H <5S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.839 118.5 38.5 -64.7 -33.1 42.5 70.5 100.6 41 41 A K H <5S+ 0 0 69 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.863 132.9 19.1 -87.3 -39.4 42.9 71.6 104.2 42 42 A T H <5S- 0 0 83 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.626 92.4-124.3-107.6 -18.9 40.6 74.6 104.5 43 43 A G S < + 0 0 0 36,-2.8 4,-1.0 -2,-0.2 36,-0.2 -0.559 34.9 175.4 -76.9 104.9 51.7 85.8 96.7 50 50 A A H > S+ 0 0 1 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.848 87.0 58.6 -71.0 -33.0 54.4 84.9 94.2 51 51 A Q H > S+ 0 0 0 39,-0.4 4,-3.0 1,-0.2 5,-0.3 0.881 97.2 60.7 -62.5 -37.9 55.8 88.5 94.8 52 52 A N H > S+ 0 0 0 38,-0.4 4,-2.0 1,-0.2 5,-0.4 0.909 108.9 43.2 -55.0 -43.9 56.1 87.7 98.5 53 53 A L H X S+ 0 0 0 -4,-1.0 4,-2.0 3,-0.2 -2,-0.2 0.918 112.0 52.9 -70.5 -43.0 58.5 84.9 97.5 54 54 A V H < S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.907 118.2 36.1 -58.0 -44.1 60.4 87.1 95.0 55 55 A D H < S+ 0 0 8 -4,-3.0 44,-0.4 -5,-0.1 -1,-0.2 0.772 131.7 25.3 -81.9 -28.5 61.0 89.8 97.5 56 56 A b H < S+ 0 0 12 -4,-2.0 2,-1.8 -5,-0.3 -3,-0.2 0.744 104.1 68.4-110.8 -32.2 61.5 87.8 100.6 57 57 A S S < S+ 0 0 0 -4,-2.0 8,-0.4 -5,-0.4 -1,-0.2 -0.623 82.6 125.9 -89.3 76.9 62.8 84.3 99.8 58 57AA T > > - 0 0 39 -2,-1.8 3,-2.1 -3,-0.1 5,-2.0 0.343 65.5 -12.5-106.6-129.4 66.1 85.7 98.6 59 57BA E G > 5S+ 0 0 132 1,-0.3 3,-2.0 3,-0.2 320,-0.3 0.825 125.2 59.2 -47.1 -45.0 69.8 85.3 99.3 60 57CA K G 3 5S+ 0 0 52 1,-0.3 -1,-0.3 2,-0.1 -3,-0.1 0.749 111.9 43.0 -59.9 -22.3 69.4 83.2 102.4 61 58 A Y G < 5S- 0 0 31 -3,-2.1 -1,-0.3 2,-0.1 9,-0.2 0.249 117.3-110.2-107.3 11.6 67.5 80.7 100.3 62 59 A G T < 5S+ 0 0 9 -3,-2.0 2,-0.2 1,-0.2 -3,-0.2 0.675 75.3 134.8 69.5 17.1 69.8 80.8 97.3 63 60 A N < - 0 0 3 -5,-2.0 -1,-0.2 6,-0.1 6,-0.2 -0.663 45.3-161.2-100.3 157.1 67.2 82.6 95.2 64 61 A K > - 0 0 132 4,-3.2 3,-2.0 1,-0.3 5,-0.2 -0.061 27.6-137.8-126.6 32.4 67.6 85.6 92.9 65 62 A G T > S+ 0 0 2 -8,-0.4 3,-1.5 1,-0.3 -1,-0.3 -0.248 88.6 12.9 53.2-118.2 64.1 86.9 92.5 66 63 A a T 3 S+ 0 0 19 1,-0.3 -43,-2.2 -12,-0.1 -1,-0.3 0.443 128.6 60.9 -70.5 1.9 63.4 87.9 88.9 67 64 A N B < S-j 23 0C 133 -3,-2.0 -1,-0.3 1,-0.4 -2,-0.2 0.093 118.8 -77.6-114.9 22.0 66.6 86.1 88.0 68 65 A G < - 0 0 25 -3,-1.5 -4,-3.2 -45,-1.0 -1,-0.4 -0.185 48.9-179.1 108.0 162.2 65.6 82.6 89.1 69 66 A G - 0 0 27 -6,-0.2 2,-0.4 -5,-0.2 -6,-0.1 -0.973 29.9 -84.2-176.8-174.9 65.2 80.5 92.2 70 67 A F > - 0 0 90 -2,-0.3 4,-1.0 -9,-0.2 5,-0.1 -0.910 15.5-147.4-115.4 141.7 64.3 77.1 93.7 71 68 A M H > S+ 0 0 22 -2,-0.4 4,-2.2 2,-0.2 5,-0.1 0.907 100.0 53.9 -71.5 -39.8 60.8 75.8 94.6 72 69 A T H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 109.6 45.1 -61.3 -44.7 62.1 73.8 97.6 73 70 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.778 109.0 57.9 -72.2 -23.3 63.9 76.7 99.2 74 74 A A H X S+ 0 0 0 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.932 106.3 49.5 -68.2 -43.9 60.8 78.8 98.6 75 75 A F H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.911 109.0 51.6 -59.7 -42.8 58.9 76.2 100.6 76 76 A Q H X S+ 0 0 9 -4,-2.0 4,-3.2 1,-0.2 -1,-0.2 0.863 105.8 55.5 -64.4 -34.5 61.5 76.4 103.4 77 77 A Y H X S+ 0 0 13 -4,-1.8 4,-3.4 2,-0.2 6,-0.2 0.930 106.5 50.4 -61.5 -45.0 61.1 80.1 103.5 78 78 A I H X>S+ 0 0 0 -4,-2.0 5,-1.5 2,-0.2 4,-0.7 0.889 113.0 46.8 -60.8 -38.2 57.4 79.8 104.0 79 79 A I H ><5S+ 0 0 37 -4,-1.9 3,-0.7 2,-0.2 -2,-0.2 0.961 116.3 43.2 -66.4 -52.4 58.1 77.3 106.9 80 80 A D H 3<5S+ 0 0 54 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.879 116.3 47.7 -60.0 -42.2 60.8 79.6 108.5 81 81 A N H 3<5S- 0 0 50 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.604 105.0-131.8 -76.0 -13.2 58.7 82.7 108.0 82 82 A K T <<5S+ 0 0 156 -4,-0.7 2,-0.3 -3,-0.7 -3,-0.2 0.750 73.4 14.8 65.4 27.3 55.6 80.9 109.4 83 83 A G < - 0 0 0 -5,-1.5 2,-0.3 -6,-0.2 26,-0.2 -0.868 60.5-129.8 158.5 167.4 53.4 82.1 106.6 84 84 A I E -L 108 0E 0 24,-1.7 23,-3.0 -2,-0.3 24,-1.3 -0.990 30.4-119.0-144.0 140.1 52.9 83.6 103.1 85 85 A D E -L 106 0E 1 -2,-0.3 -36,-2.8 21,-0.3 21,-0.2 -0.345 32.1-100.5 -78.5 161.1 50.6 86.4 102.1 86 86 A S B > -K 48 0D 21 19,-1.5 4,-1.6 -38,-0.3 -38,-0.3 -0.406 27.7-117.7 -76.9 157.7 47.7 86.2 99.6 87 87 A D T 4 S+ 0 0 44 -40,-2.5 -39,-0.1 1,-0.2 3,-0.1 0.898 114.7 56.0 -61.9 -40.4 48.2 87.4 96.1 88 88 A A T 4 S+ 0 0 94 -41,-0.5 -1,-0.2 1,-0.2 -40,-0.1 0.858 111.5 42.4 -61.0 -36.3 45.5 90.1 96.6 89 89 A S T 4 S+ 0 0 38 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.729 127.8 29.0 -82.9 -24.9 47.3 91.6 99.6 90 90 A Y S < S- 0 0 12 -4,-1.6 -39,-0.4 -3,-0.1 -38,-0.4 -0.671 91.4-158.7-137.7 74.2 50.8 91.4 98.1 91 91 A P - 0 0 55 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.089 21.3-102.0 -59.6 152.7 50.2 91.7 94.3 92 92 A Y + 0 0 46 1,-0.1 -5,-0.0 -5,-0.1 -43,-0.0 -0.636 38.0 169.6 -81.2 125.0 52.6 90.7 91.6 93 93 A K - 0 0 113 -2,-0.4 -1,-0.1 2,-0.3 3,-0.1 0.364 44.2-124.6-115.0 0.1 54.6 93.5 89.9 94 94 A A S S+ 0 0 34 1,-0.2 2,-0.3 -74,-0.1 -73,-0.1 0.877 78.6 92.3 56.0 41.0 57.1 91.5 87.9 95 95 A M S S- 0 0 101 -73,-0.1 2,-0.5 -72,-0.0 -2,-0.3 -0.974 85.1 -94.2-154.0 162.6 60.1 93.2 89.6 96 96 A D + 0 0 89 -2,-0.3 2,-0.3 -3,-0.1 -41,-0.1 -0.718 51.8 173.2 -83.9 127.0 62.5 92.8 92.5 97 97 A Q - 0 0 49 -2,-0.5 2,-0.1 -46,-0.2 3,-0.1 -0.825 39.1 -85.2-129.6 168.1 61.1 94.7 95.5 98 98 A K - 0 0 80 -2,-0.3 2,-0.2 1,-0.1 -42,-0.1 -0.446 62.2 -89.2 -70.1 148.4 62.0 95.1 99.2 99 99 A b + 0 0 71 -44,-0.4 -1,-0.1 1,-0.1 -47,-0.1 -0.438 48.9 174.4 -63.6 124.9 60.4 92.4 101.3 100 100 A Q + 0 0 111 -2,-0.2 -1,-0.1 -48,-0.1 -48,-0.1 0.002 16.4 153.4-123.0 28.7 57.0 93.6 102.4 101 101 A Y - 0 0 47 -49,-0.1 2,-0.3 2,-0.0 -17,-0.0 -0.291 16.3-180.0 -61.4 141.8 55.6 90.5 104.2 102 102 A D > - 0 0 57 1,-0.1 3,-2.1 0, 0.0 4,-0.1 -0.955 28.1-143.9-146.6 122.8 53.0 91.1 106.9 103 103 A S G > S+ 0 0 63 -2,-0.3 3,-1.4 1,-0.3 -19,-0.1 0.671 96.6 73.6 -60.9 -18.3 51.4 88.4 109.0 104 104 A K G 3 S+ 0 0 142 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.691 101.8 44.0 -70.2 -14.0 48.1 90.3 109.0 105 105 A Y G < S+ 0 0 112 -3,-2.1 -19,-1.5 -16,-0.0 -1,-0.3 0.245 82.3 140.4-110.7 9.1 47.8 89.3 105.3 106 106 A R E < +L 85 0E 116 -3,-1.4 -21,-0.3 -21,-0.2 3,-0.1 -0.311 19.1 169.6 -57.3 128.7 48.9 85.6 105.9 107 107 A A E + 0 0 30 -23,-3.0 2,-0.3 1,-0.3 -22,-0.2 0.495 61.5 12.6-118.7 -10.8 46.8 83.3 103.7 108 108 A A E -L 84 0E 6 -24,-1.3 -24,-1.7 -30,-0.0 -1,-0.3 -0.989 55.3-155.6-161.0 162.3 48.7 80.0 104.1 109 109 A T - 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