==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER THIOL PROTEASE 21-APR-93 1HUC . COMPND 2 MOLECULE: CATHEPSIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.MUSIL,W.BODE . 504 4 12 10 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22864.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 17.3 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 2 0.4 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 . 37 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 3 0 0 1 1 0 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 13 4 0 0 2 0 3 1 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 . 0 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 95 0, 0.0 4,-0.1 0, 0.0 160,-0.1 0.000 360.0 360.0 360.0 163.9 35.3 -14.1 8.6 2 2 A P - 0 0 57 0, 0.0 3,-0.1 0, 0.0 204,-0.1 0.187 360.0-121.6 -66.8 166.9 36.5 -10.5 8.6 3 3 A A S S+ 0 0 80 1,-0.3 2,-0.3 202,-0.1 0, 0.0 0.657 98.3 24.4 -90.1 -19.8 39.0 -9.5 11.3 4 4 A S S S- 0 0 74 202,-0.1 2,-0.3 208,-0.1 -1,-0.3 -0.983 71.0-179.0-134.5 152.3 36.7 -6.8 12.5 5 5 A F E -A 205 0A 18 200,-2.1 200,-1.7 -2,-0.3 2,-0.4 -0.990 9.2-175.0-147.7 144.3 32.8 -6.5 12.2 6 6 A D E >> -A 204 0A 27 -2,-0.3 3,-2.1 198,-0.2 4,-1.4 -0.889 17.1-153.6-143.3 115.5 30.3 -4.0 13.3 7 7 A A H 3> S+ 0 0 0 196,-2.1 4,-1.5 -2,-0.4 10,-0.1 0.688 93.8 67.4 -63.0 -17.9 26.7 -4.7 12.8 8 8 A R H 34 S+ 0 0 74 1,-0.2 -1,-0.3 2,-0.2 10,-0.1 0.535 106.4 40.9 -77.8 -17.9 26.0 -0.9 12.7 9 9 A E H <4 S+ 0 0 127 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.749 111.9 50.8 -89.9 -51.8 27.9 -0.7 9.5 10 10 A Q H < S+ 0 0 109 -4,-1.4 -2,-0.2 1,-0.3 -3,-0.1 0.695 124.6 29.0 -61.1 -35.6 26.8 -3.8 7.8 11 11 A W >< + 0 0 28 -4,-1.5 3,-1.6 -5,-0.2 -1,-0.3 -0.559 64.6 152.3-127.5 66.8 23.2 -2.9 8.4 12 12 A P T 3 + 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.567 69.1 72.4 -85.5 5.3 22.9 0.8 8.5 13 13 A Q T 3 S+ 0 0 114 1,-0.2 -5,-0.1 -3,-0.1 -4,-0.0 0.482 86.8 73.7 -83.9 -6.5 19.3 0.6 7.3 14 14 A a X - 0 0 2 -3,-1.6 3,-1.7 1,-0.1 4,-0.5 -0.877 63.6-174.5-114.2 87.5 18.4 -0.8 10.9 15 15 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 25,-0.1 0.511 74.3 70.3 -57.2 -23.2 18.6 2.1 13.3 16 16 A T T > S+ 0 0 10 1,-0.2 3,-2.0 2,-0.2 24,-0.1 0.748 84.7 70.2 -74.2 -23.9 18.0 0.1 16.4 17 17 A I T < S+ 0 0 0 -3,-1.7 -1,-0.2 1,-0.3 -9,-0.1 0.887 103.7 42.8 -66.3 -29.7 21.5 -1.5 16.1 18 18 A K T 3 S+ 0 0 132 -4,-0.5 2,-0.6 -11,-0.1 -1,-0.3 0.368 93.4 109.2 -91.8 5.8 22.9 1.8 17.0 19 19 A E < - 0 0 33 -3,-2.0 2,-0.5 17,-0.1 198,-0.0 -0.798 50.1-160.8 -91.2 132.1 20.4 2.5 19.7 20 20 A I - 0 0 16 -2,-0.6 202,-0.1 207,-0.1 199,-0.1 -0.869 14.4-163.8 -99.8 120.3 21.5 2.5 23.4 21 21 A R - 0 0 6 -2,-0.5 200,-1.8 197,-0.3 2,-0.4 -0.294 16.3-119.3 -91.9 175.9 18.6 2.1 26.0 22 22 A D B -I 220 0B 15 198,-0.2 198,-0.2 -2,-0.1 82,-0.1 -0.986 12.1-168.2-124.1 117.4 18.3 2.7 29.8 23 23 A Q - 0 0 15 196,-2.3 5,-0.4 -2,-0.4 3,-0.2 0.504 31.9-159.7 -81.4 -5.5 17.4 -0.1 32.3 24 24 A G - 0 0 3 195,-0.2 2,-1.6 1,-0.2 4,-0.2 0.119 54.2 -28.6 49.8-152.5 16.9 2.5 35.1 25 25 A S S S+ 0 0 22 80,-0.4 2,-0.3 92,-0.1 -1,-0.2 -0.560 115.5 92.4 -84.3 68.1 17.1 1.3 38.8 26 26 A b S S- 0 0 3 -2,-1.6 2,-1.9 95,-0.3 3,-0.3 -0.900 82.3-121.4-160.7 132.1 15.8 -2.2 38.0 27 27 A G + 0 0 22 43,-1.9 45,-0.4 -2,-0.3 3,-0.4 -0.275 66.6 131.1 -81.0 57.9 17.8 -5.4 37.2 28 28 A S >> + 0 0 0 -2,-1.9 3,-3.2 -5,-0.4 4,-1.0 0.383 23.5 115.8 -86.8 -3.9 16.0 -5.7 33.8 29 29 A C H 3> + 0 0 19 1,-0.3 4,-2.5 -3,-0.3 5,-0.2 0.721 69.6 63.7 -42.1 -33.6 19.3 -6.3 31.7 30 30 A W H 3> S+ 0 0 9 -3,-0.4 4,-1.1 1,-0.2 -1,-0.3 0.744 108.1 41.4 -56.8 -34.4 18.1 -9.9 30.8 31 31 A A H <> S+ 0 0 0 -3,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.698 113.2 54.1 -84.3 -36.6 15.1 -8.3 28.9 32 32 A F H X S+ 0 0 4 -4,-1.0 4,-2.5 2,-0.2 5,-0.3 0.962 107.2 47.6 -64.6 -54.1 17.2 -5.5 27.5 33 33 A G H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.925 118.2 46.5 -48.5 -58.6 19.8 -7.8 25.8 34 34 A A H X S+ 0 0 0 -4,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.803 115.1 40.6 -48.2 -60.1 16.9 -9.9 24.5 35 35 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 18,-0.4 0.849 115.2 52.1 -73.0 -27.8 14.6 -7.1 23.1 36 36 A E H X S+ 0 0 7 -4,-2.5 4,-2.1 -3,-0.2 -2,-0.2 0.944 113.3 42.8 -73.5 -43.3 17.5 -5.1 21.6 37 37 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.891 114.9 52.6 -65.5 -36.1 18.9 -8.0 19.8 38 38 A I H X S+ 0 0 0 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.902 106.4 52.0 -69.3 -35.7 15.4 -9.0 18.7 39 39 A S H >X S+ 0 0 1 -4,-2.1 4,-1.0 1,-0.2 3,-0.5 0.956 110.4 49.3 -66.0 -41.9 14.7 -5.5 17.4 40 40 A D H >X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 3,-0.8 0.884 110.2 49.8 -52.6 -57.1 17.9 -5.7 15.3 41 41 A R H 3X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.3 -1,-0.2 0.668 100.2 63.4 -66.4 -22.7 17.1 -9.1 13.9 42 42 A I H << S+ 0 0 31 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.919 112.5 37.4 -66.6 -37.6 13.6 -8.1 12.8 43 43 A a H X< S+ 0 0 5 -4,-1.0 3,-1.6 -3,-0.8 -2,-0.2 0.916 115.4 53.2 -83.1 -36.7 15.1 -5.6 10.4 44 44 A I H 3< S+ 0 0 29 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.934 117.0 38.0 -64.4 -37.3 18.0 -7.8 9.4 45 45 A H T 3< S+ 0 0 61 -4,-2.4 2,-0.8 -5,-0.1 -1,-0.3 0.396 88.3 129.6 -94.6 9.7 15.8 -10.6 8.5 46 46 A T < 0 0 59 -3,-1.6 -3,-0.1 3,-0.1 -4,-0.1 -0.492 360.0 360.0 -81.6 108.1 13.1 -8.3 7.0 47 47 A N 0 0 168 -2,-0.8 -1,-0.1 0, 0.0 -2,-0.0 0.050 360.0 360.0 -57.3 360.0 11.8 -9.3 3.5 48 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 49 50 B V 0 0 148 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 140.9 11.2 -0.8 8.1 50 51 B S - 0 0 50 -36,-0.1 2,-0.4 -35,-0.0 -10,-0.1 -0.988 360.0-149.1-158.3 149.5 12.1 -1.3 11.7 51 52 B V - 0 0 26 -12,-0.4 2,-1.0 -2,-0.3 -9,-0.2 -0.977 15.0-141.4-134.5 128.4 10.6 -1.9 15.3 52 53 B E - 0 0 48 -2,-0.4 38,-2.5 -12,-0.0 -16,-0.1 -0.802 31.5-145.3 -80.6 105.2 11.6 -1.1 18.8 53 54 B V B -J 89 0C 0 -2,-1.0 2,-0.4 -18,-0.4 36,-0.2 -0.338 24.5-104.8 -74.7 134.3 10.5 -4.2 20.6 54 55 B S > - 0 0 1 34,-2.5 4,-1.1 1,-0.1 34,-0.2 -0.695 27.1-172.0 -81.0 125.2 9.2 -3.5 24.2 55 56 B A H > S+ 0 0 3 -2,-0.4 4,-3.1 36,-0.3 -1,-0.1 0.716 90.3 62.3 -77.8 -28.9 11.3 -4.3 27.2 56 57 B E H > S+ 0 0 13 44,-0.6 4,-2.5 2,-0.2 5,-0.3 0.990 103.4 48.6 -62.9 -46.6 8.2 -3.3 29.3 57 58 B D H > S+ 0 0 0 43,-0.4 4,-1.4 1,-0.3 -1,-0.2 0.780 116.9 39.0 -65.3 -41.4 6.3 -6.1 27.8 58 59 B L H X S+ 0 0 0 -4,-1.1 4,-1.3 1,-0.2 -1,-0.3 0.907 116.8 51.4 -81.0 -35.9 8.8 -8.7 28.3 59 60 B L H < S+ 0 0 4 -4,-3.1 4,-0.3 1,-0.2 -2,-0.2 0.790 122.3 29.7 -55.9 -45.8 9.9 -7.4 31.7 60 61 B T H < S+ 0 0 16 -4,-2.5 67,-0.6 66,-0.1 -1,-0.2 0.692 123.4 43.6-100.6 -22.1 6.4 -7.3 33.1 61 62 B c H < S+ 0 0 15 -4,-1.4 -3,-0.2 -5,-0.3 -2,-0.2 0.502 91.3 75.4-112.4 -2.3 4.6 -10.1 31.3 62 63 B d S >< S- 0 0 15 -4,-1.3 3,-0.5 1,-0.2 2,-0.3 0.967 75.7-171.9 -76.9 -44.2 6.9 -13.0 31.2 63 64 B G G > - 0 0 45 -4,-0.3 3,-1.4 -5,-0.2 6,-0.4 -0.640 52.7 -23.1 87.1-160.3 6.4 -14.0 34.8 64 65 B S G > S+ 0 0 114 -2,-0.3 3,-1.6 1,-0.2 -1,-0.2 0.815 124.1 74.0 -66.8 -18.2 8.2 -16.6 36.8 65 66 B M G < S+ 0 0 78 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.747 104.5 39.9 -62.3 -27.0 9.2 -18.4 33.6 66 67 B d G < S- 0 0 1 -3,-1.4 8,-2.1 1,-0.3 2,-0.5 0.428 121.2-111.0-101.1 0.1 11.7 -15.6 33.0 67 68 B G B < -K 73 0D 18 -3,-1.6 -1,-0.3 -4,-0.3 6,-0.3 -0.917 63.5 -24.0 109.8-134.7 12.7 -15.3 36.6 68 69 B D > - 0 0 116 4,-3.4 3,-2.3 -2,-0.5 5,-0.2 -0.093 67.5-126.4-124.4 49.9 12.0 -12.5 39.0 69 70 B G G > S+ 0 0 11 -6,-0.4 3,-1.8 1,-0.3 -1,-0.3 -0.284 91.5 4.8 59.0-133.1 11.3 -9.2 37.2 70 71 B b G 3 S+ 0 0 0 1,-0.3 -43,-1.9 52,-0.1 -1,-0.3 0.444 128.5 64.2 -74.0 5.8 13.5 -6.3 38.4 71 72 B N G < S- 0 0 98 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.183 120.2 -70.5-115.4 31.5 15.3 -8.7 40.6 72 73 B G < - 0 0 27 -3,-1.8 -4,-3.4 -45,-0.4 -1,-0.3 -0.041 49.7-159.7 113.6 154.9 16.8 -10.7 37.7 73 74 B G B -K 67 0D 22 -6,-0.3 -6,-0.3 -5,-0.2 -7,-0.1 -0.832 28.1 -93.9-153.2-169.6 15.9 -13.2 35.0 74 75 B Y >> - 0 0 146 -8,-2.1 4,-1.7 -2,-0.3 3,-0.8 -0.952 22.1-161.2-118.6 98.1 16.9 -15.9 32.5 75 76 B P H 3> S+ 0 0 28 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.789 93.2 57.7 -56.9 -29.2 17.6 -14.5 28.9 76 77 B A H 3> S+ 0 0 57 2,-0.2 4,-1.9 1,-0.2 3,-0.1 0.911 108.0 47.6 -67.9 -33.5 17.1 -17.9 27.3 77 78 B E H <> S+ 0 0 68 -3,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.867 107.0 57.8 -70.2 -29.0 13.6 -17.9 28.8 78 79 B A H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.831 107.2 46.3 -66.5 -40.2 13.2 -14.3 27.5 79 80 B W H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.918 111.8 51.4 -76.8 -34.6 13.9 -15.6 23.9 80 81 B N H X S+ 0 0 77 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.857 105.6 56.9 -68.2 -29.1 11.5 -18.5 24.4 81 82 B F H X>S+ 0 0 12 -4,-2.3 4,-3.8 1,-0.2 5,-1.1 0.987 107.6 47.8 -61.4 -52.3 8.7 -16.0 25.6 82 83 B W H <5S+ 0 0 0 -4,-1.6 64,-1.5 3,-0.2 -1,-0.2 0.835 110.9 50.4 -54.4 -39.0 9.0 -14.1 22.3 83 84 B T H <5S+ 0 0 24 -4,-1.6 -1,-0.2 62,-0.3 -2,-0.2 0.951 122.8 32.3 -71.0 -32.4 8.8 -17.3 20.4 84 85 B R H <5S+ 0 0 186 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.969 138.6 11.4 -89.7 -51.9 5.7 -18.3 22.3 85 86 B K T <5S- 0 0 97 -4,-3.8 -3,-0.2 -5,-0.2 -2,-0.1 0.610 94.3-138.1 -97.7 -27.0 3.8 -15.1 23.2 86 87 B G < - 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0 0 62 -5,-0.4 -6,-4.0 38,-0.0 -1,-0.3 -0.858 51.1 -9.3-103.5 128.9 6.6 5.4 21.1 98 99 B G S S- 0 0 11 -2,-0.5 -8,-0.2 -8,-0.3 34,-0.2 -0.134 94.6 -58.3 87.5-175.0 5.0 2.1 20.6 99 100 B e S S+ 0 0 1 -10,-0.3 33,-3.2 1,-0.2 -9,-0.2 0.945 125.3 16.9 -68.0 -59.9 2.4 -0.0 22.4 100 101 B R S S- 0 0 15 -11,-2.7 -44,-0.6 31,-0.2 -43,-0.4 -0.695 74.5-166.9-123.8 85.0 4.2 -0.3 25.7 101 102 B P - 0 0 22 0, 0.0 2,-0.2 0, 0.0 -9,-0.2 0.115 39.8 -86.9 -55.2 163.7 7.0 2.2 26.4 102 103 B Y - 0 0 12 -11,-0.7 -8,-0.5 1,-0.1 -7,-0.2 -0.616 36.3-163.8 -84.1 141.3 9.5 1.6 29.3 103 104 B S + 0 0 49 -2,-0.2 -1,-0.1 -10,-0.1 -11,-0.0 0.640 59.8 90.6-113.3 -8.5 8.2 3.0 32.5 104 105 B I S S- 0 0 20 -82,-0.1 -11,-0.2 1,-0.1 -80,-0.1 -0.699 78.1-125.3 -89.1 127.4 11.2 3.0 34.7 105 106 B P - 0 0 63 0, 0.0 -80,-0.4 0, 0.0 2,-0.1 -0.304 24.1-100.2 -74.2 158.6 12.9 6.3 34.3 106 107 B P + 0 0 41 0, 0.0 2,-0.3 0, 0.0 114,-0.0 -0.438 40.8 175.7 -70.4 159.9 16.6 6.8 33.4 107 108 B f - 0 0 3 8,-0.1 2,-0.5 -2,-0.1 -83,-0.2 -0.964 39.7 -84.5-150.2 169.1 19.3 7.5 35.9 108 109 B E B -m 117 0F 11 8,-1.4 10,-1.5 -2,-0.3 2,-0.9 -0.659 37.4-150.5 -72.8 122.2 23.1 8.0 36.1 109 110 B H S S- 0 0 12 -2,-0.5 3,-0.1 111,-0.5 -1,-0.1 -0.813 71.5 -42.3-101.0 103.1 24.8 4.6 36.4 110 111 B H S S+ 0 0 129 -2,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.613 119.4 96.9 62.1 16.1 28.0 5.1 38.3 111 112 B V S S- 0 0 41 113,-0.1 -1,-0.2 0, 0.0 113,-0.1 -0.981 79.6-104.8-122.5 157.9 28.8 8.3 36.3 112 113 B N + 0 0 160 -2,-0.3 2,-0.2 -3,-0.1 -3,-0.1 -0.200 60.6 127.7 -85.4 155.3 28.3 11.9 37.0 113 114 B G - 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