==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-MAR-07 1VSN . COMPND 2 MOLECULE: CATHEPSIN K; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MCGRATH . 215 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 18.6 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.5 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 . 13 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 1 0 0 1 0 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 4 2 1 0 2 0 1 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 1 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 A 0 0 101 0, 0.0 122,-0.1 0, 0.0 121,-0.0 0.000 360.0 360.0 360.0 134.0 26.7 38.0 12.9 2 2 A P - 0 0 65 0, 0.0 3,-0.1 0, 0.0 124,-0.1 -0.175 360.0-130.6 -61.5 154.4 28.8 34.6 12.3 3 3 A D S S+ 0 0 125 1,-0.3 2,-0.3 168,-0.0 0, 0.0 0.726 91.8 8.8 -75.1 -22.4 29.6 33.3 8.8 4 4 A S + 0 0 69 166,-0.1 2,-0.3 122,-0.0 -1,-0.3 -0.981 64.1 172.9-160.2 144.9 28.4 29.9 9.9 5 5 A I E -A 169 0A 44 164,-2.3 164,-2.1 -2,-0.3 2,-0.4 -0.985 14.5-163.6-155.2 143.8 26.7 28.2 12.8 6 6 A D E > -A 168 0A 26 -2,-0.3 3,-1.3 162,-0.2 4,-0.3 -0.899 3.0-167.8-133.1 103.7 25.2 24.8 13.7 7 7 A Y T 3 >S+ 0 0 9 160,-2.3 5,-2.2 -2,-0.4 6,-0.4 0.600 83.7 72.4 -66.7 -12.0 22.8 24.7 16.7 8 8 A R T > 5S+ 0 0 92 159,-0.2 3,-0.6 1,-0.2 -1,-0.3 0.823 95.4 53.7 -71.3 -29.8 22.9 20.9 16.8 9 9 A K T < 5S+ 0 0 177 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.643 105.7 53.1 -78.5 -16.8 26.5 21.3 18.1 10 10 A K T 3 5S- 0 0 87 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.2 0.444 117.1-111.6 -95.4 -5.2 25.3 23.6 20.9 11 11 A G T < 5S+ 0 0 27 -3,-0.6 -3,-0.2 -4,-0.3 -2,-0.1 0.785 82.0 123.5 78.9 29.8 22.6 21.1 22.1 12 12 A Y < + 0 0 33 -5,-2.2 2,-0.4 155,-0.1 -4,-0.2 0.469 56.5 74.5 -96.5 -7.1 19.6 23.2 21.0 13 13 A V - 0 0 21 -6,-0.4 3,-0.1 -5,-0.2 -2,-0.1 -0.946 66.9-147.4-118.4 131.9 18.1 20.5 18.8 14 14 A T - 0 0 6 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.310 45.6 -70.7 -83.5 164.2 16.2 17.3 19.8 15 15 A P - 0 0 85 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.160 61.4 -87.8 -57.1 158.4 16.4 14.0 17.6 16 16 A V - 0 0 16 175,-0.2 170,-0.2 -3,-0.1 2,-0.2 -0.469 48.2-155.8 -67.8 132.5 14.7 13.8 14.2 17 17 A K - 0 0 53 165,-0.4 168,-2.3 -2,-0.2 2,-0.5 -0.606 11.1-127.5-106.3 167.3 11.0 12.7 14.5 18 18 A N B -I 184 0B 96 166,-0.3 166,-0.2 -2,-0.2 165,-0.0 -0.975 9.3-165.3-121.2 118.6 8.7 11.0 12.0 19 19 A Q - 0 0 17 164,-2.8 5,-0.1 -2,-0.5 165,-0.1 0.674 28.7-165.5 -73.5 -19.8 5.3 12.6 11.4 20 20 A G - 0 0 39 163,-0.2 2,-1.5 1,-0.2 -1,-0.2 -0.292 56.4 -17.5 68.5-150.6 4.0 9.5 9.6 21 21 A Q S S+ 0 0 203 2,-0.1 2,-0.3 70,-0.0 -1,-0.2 -0.435 113.2 93.9 -89.5 61.0 0.8 9.6 7.5 22 22 A a S S- 0 0 9 -2,-1.5 2,-2.0 70,-0.1 42,-0.1 -0.963 76.9-128.3-152.8 131.3 -0.5 12.9 9.0 23 23 A G + 0 0 29 40,-2.2 3,-0.3 -2,-0.3 42,-0.2 -0.358 66.0 127.2 -81.3 59.5 0.1 16.5 7.7 24 24 A S >> + 0 0 0 -2,-2.0 4,-1.5 1,-0.2 3,-1.0 0.014 20.9 121.8-104.6 25.7 1.4 17.7 11.0 25 25 A C H 3> S+ 0 0 16 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.844 73.2 58.0 -57.0 -35.5 4.6 19.2 9.7 26 26 A W H 3> S+ 0 0 2 -3,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.810 104.5 51.3 -62.8 -35.9 3.6 22.6 11.1 27 27 A A H <> S+ 0 0 0 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.849 111.8 45.8 -71.6 -36.6 3.3 21.1 14.6 28 28 A F H X S+ 0 0 22 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.841 112.8 49.9 -75.1 -34.4 6.8 19.6 14.4 29 29 A S H X S+ 0 0 3 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.898 112.7 49.5 -68.6 -39.5 8.3 22.8 13.0 30 30 A S H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.932 111.7 44.8 -66.0 -50.7 6.6 24.7 15.9 31 31 A V H X S+ 0 0 5 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.842 109.1 58.5 -66.1 -30.9 7.8 22.5 18.7 32 32 A G H X S+ 0 0 3 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.896 108.4 44.6 -64.2 -39.5 11.3 22.5 17.2 33 33 A A H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.890 114.9 48.6 -71.5 -38.9 11.4 26.3 17.5 34 34 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.851 108.0 55.3 -68.9 -35.7 10.0 26.2 21.0 35 35 A E H X S+ 0 0 4 -4,-2.7 4,-1.9 2,-0.2 11,-0.2 0.869 107.6 49.6 -65.1 -37.8 12.5 23.5 22.1 36 36 A G H X S+ 0 0 0 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.877 112.8 46.5 -69.4 -38.2 15.4 25.7 21.0 37 37 A Q H X S+ 0 0 19 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.842 109.7 53.7 -73.6 -32.1 14.0 28.6 22.9 38 38 A L H X>S+ 0 0 12 -4,-2.2 4,-2.8 1,-0.2 6,-0.5 0.909 109.1 49.4 -68.3 -40.2 13.4 26.5 26.0 39 39 A K H X5S+ 0 0 57 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.839 111.4 49.0 -67.3 -35.6 17.1 25.3 25.9 40 40 A K H <5S+ 0 0 93 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.898 118.5 38.9 -71.2 -40.9 18.3 29.0 25.6 41 41 A A H <5S+ 0 0 73 -4,-2.1 -2,-0.2 1,-0.1 -3,-0.2 0.870 133.7 17.5 -78.9 -40.5 16.1 30.2 28.6 42 42 A T H <5S- 0 0 95 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.567 91.8-123.0-110.7 -15.4 16.4 27.2 31.0 43 43 A G S <> + 0 0 0 33,-2.5 4,-0.7 -2,-0.2 3,-0.5 -0.708 31.2 178.3 -88.5 104.0 4.5 17.5 22.2 50 50 A P H 3> S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 3,-0.4 0.826 86.0 62.9 -69.5 -26.2 3.4 18.0 18.5 51 51 A Q H 3> S+ 0 0 0 36,-0.4 4,-2.2 1,-0.2 5,-0.2 0.809 94.4 60.8 -64.9 -32.1 0.2 16.0 19.2 52 52 A N H <> S+ 0 0 0 -3,-0.5 4,-1.4 35,-0.3 -1,-0.2 0.873 109.0 43.9 -62.4 -35.5 -0.9 18.7 21.7 53 53 A L H X S+ 0 0 0 -4,-0.7 4,-2.2 -3,-0.4 -2,-0.2 0.930 110.8 51.5 -77.9 -45.0 -0.9 21.1 18.8 54 54 A V H < S+ 0 0 6 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.908 118.5 38.1 -60.6 -39.3 -2.7 18.8 16.3 55 55 A D H < S+ 0 0 20 -4,-2.2 41,-0.4 1,-0.1 -1,-0.2 0.786 125.0 34.6 -81.0 -31.7 -5.5 18.1 18.7 56 56 A b H < S+ 0 0 15 -4,-1.4 2,-1.0 -5,-0.2 -3,-0.2 0.728 84.0 94.3-102.2 -27.0 -5.9 21.5 20.3 57 57 A V >< - 0 0 5 -4,-2.2 3,-1.0 1,-0.2 5,-0.3 -0.609 49.4-173.7 -73.6 102.6 -5.2 24.4 17.8 58 58 A S T 3 S+ 0 0 103 -2,-1.0 -1,-0.2 1,-0.2 -4,-0.0 0.672 80.3 60.7 -71.9 -18.1 -8.7 25.1 16.6 59 59 A E T 3 S+ 0 0 95 11,-0.1 -1,-0.2 -3,-0.1 2,-0.2 0.519 102.7 64.0 -84.9 -9.9 -7.4 27.6 14.0 60 60 A N S < S- 0 0 20 -3,-1.0 6,-0.2 -7,-0.1 -6,-0.0 -0.513 83.3-126.3-106.2 175.4 -5.5 24.7 12.3 61 61 A D > - 0 0 118 4,-2.5 3,-1.9 1,-0.3 2,-0.2 0.132 34.1-139.9-111.8 19.2 -6.8 21.5 10.7 62 62 A G G > S+ 0 0 4 -5,-0.3 3,-1.7 1,-0.3 -1,-0.3 -0.409 85.3 4.0 63.4-122.7 -4.7 18.9 12.6 63 63 A a G 3 S+ 0 0 25 1,-0.3 -40,-2.2 -2,-0.2 -1,-0.3 0.523 128.1 68.9 -71.6 -4.7 -3.5 16.1 10.3 64 64 A G G < S- 0 0 54 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.534 114.8 -97.6 -89.3 -10.6 -5.0 18.2 7.4 65 65 A G < + 0 0 19 -3,-1.7 -4,-2.5 -42,-0.2 -1,-0.3 -0.604 47.3 175.8 121.4 179.0 -2.4 20.9 7.8 66 66 A G - 0 0 31 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.1 -0.983 29.1 -76.3 166.9-173.6 -1.9 24.3 9.5 67 67 A Y > - 0 0 143 -2,-0.3 4,-1.1 1,-0.1 3,-0.1 -0.896 20.5-136.3-119.7 149.6 0.3 27.2 10.3 68 68 A M H > S+ 0 0 9 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.819 104.3 61.1 -69.6 -33.0 3.1 27.7 12.8 69 69 A T H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 104.4 48.8 -61.8 -39.6 1.8 31.2 13.8 70 70 A N H > S+ 0 0 35 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.825 110.0 52.8 -68.9 -33.3 -1.5 29.7 14.9 71 71 A A H X S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.919 110.8 45.9 -69.3 -42.5 0.4 27.0 17.0 72 72 A F H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 37,-0.3 0.897 110.8 52.8 -66.9 -41.9 2.5 29.7 18.8 73 73 A Q H X S+ 0 0 44 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.849 109.1 50.6 -63.7 -34.5 -0.6 31.8 19.5 74 74 A Y H X S+ 0 0 29 -4,-1.5 4,-2.9 2,-0.2 5,-0.2 0.919 107.9 51.3 -68.6 -47.2 -2.3 28.8 21.0 75 75 A V H X>S+ 0 0 0 -4,-1.9 5,-1.8 2,-0.2 4,-0.8 0.867 112.6 48.6 -58.0 -36.3 0.7 28.0 23.3 76 76 A Q H <5S+ 0 0 78 -4,-1.9 3,-0.3 3,-0.2 -2,-0.2 0.948 115.7 40.4 -68.3 -52.6 0.5 31.7 24.4 77 77 A R H <5S+ 0 0 157 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.827 117.4 48.8 -67.6 -33.8 -3.2 31.8 25.2 78 78 A N H <5S- 0 0 50 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.668 104.3-134.9 -78.0 -20.0 -3.2 28.3 26.7 79 1078 A R T <5S+ 0 0 186 -4,-0.8 2,-0.2 -3,-0.3 -3,-0.2 0.810 72.4 26.6 65.6 32.8 -0.2 29.4 28.8 80 79 A G < - 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0 0 102 -2,-0.4 3,-0.1 -43,-0.2 2,-0.0 -0.877 46.8 -77.6-136.9 169.7 -8.2 13.3 18.4 95 94 A S - 0 0 89 -2,-0.3 2,-0.3 1,-0.1 -39,-0.1 -0.328 60.6 -85.3 -70.5 152.2 -10.0 15.6 20.8 96 95 A b + 0 0 66 -41,-0.4 -1,-0.1 1,-0.1 -44,-0.1 -0.434 49.2 170.6 -62.6 118.4 -7.9 18.1 22.9 97 96 A M + 0 0 128 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.1 -0.340 9.3 171.5-126.2 47.1 -6.6 16.4 26.0 98 97 A Y - 0 0 50 -46,-0.1 -11,-0.1 1,-0.1 5,-0.0 -0.424 18.1-156.4 -62.3 129.6 -4.2 19.0 27.3 99 98 A N > - 0 0 73 -2,-0.2 3,-1.5 1,-0.1 4,-0.1 -0.935 8.3-159.2-110.5 111.4 -2.9 18.1 30.8 100 99 A P G > S+ 0 0 85 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.789 91.2 63.3 -61.8 -21.8 -1.6 21.1 33.0 101 100 A T G 3 S+ 0 0 131 1,-0.3 -15,-0.0 -15,-0.1 -2,-0.0 0.680 101.1 52.1 -73.9 -21.0 0.5 18.8 35.2 102 101 A G G < S+ 0 0 14 -3,-1.5 -19,-1.4 -16,-0.1 -1,-0.3 0.293 77.8 138.3 -99.7 9.5 2.6 17.8 32.1 103 102 A K E < +K 82 0D 124 -3,-1.1 -21,-0.2 -21,-0.2 3,-0.1 -0.342 18.3 166.4 -59.9 126.2 3.4 21.5 31.1 104 103 A A E - 0 0 26 -23,-2.2 2,-0.3 1,-0.3 -22,-0.2 0.541 60.1 -2.5-118.0 -17.0 7.0 21.9 30.1 105 105 A A E -K 81 0D 11 -24,-1.1 -24,-1.8 -30,-0.0 -1,-0.3 -0.978 50.9-165.6-166.0 169.0 7.1 25.3 28.4 106 106 A K - 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