==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-APR-07 2PMW . COMPND 2 MOLECULE: PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.E.PIPER,W.G.ROMANOW,S.T.THIBAULT,N.P.C.WALKER . 581 7 12 7 5 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25051.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 135 23.2 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 46 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 2 0 0 0 0 1 0 1 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 2 4 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 PARALLEL BRIDGES PER LADDER . 3 4 1 3 3 4 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 4 1 1 1 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 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 61 A T 0 0 188 0, 0.0 75,-0.1 0, 0.0 80,-0.0 0.000 360.0 360.0 360.0 129.9 -14.2 7.5 51.8 2 62 A A - 0 0 16 73,-0.5 2,-0.3 78,-0.1 80,-0.2 -0.303 360.0-151.9 -75.9 148.6 -10.5 7.8 51.0 3 63 A T E -a 82 0A 60 78,-1.0 80,-2.3 -2,-0.0 2,-0.4 -0.801 6.8-130.8-120.6 160.4 -8.6 5.1 49.0 4 64 A F E -a 83 0A 68 -2,-0.3 2,-0.4 78,-0.2 80,-0.2 -0.882 22.9-177.9-115.0 142.2 -5.0 3.9 48.9 5 65 A H E +a 84 0A 64 78,-2.2 80,-2.6 -2,-0.4 2,-0.3 -0.995 6.7 174.3-140.6 139.3 -2.8 3.4 45.8 6 66 A R - 0 0 135 -2,-0.4 80,-0.1 78,-0.2 81,-0.1 -0.963 46.1 -73.7-141.1 164.9 0.6 2.2 45.0 7 67 A C - 0 0 8 78,-0.3 6,-0.1 -2,-0.3 215,-0.1 -0.247 29.3-146.6 -61.0 134.1 2.6 1.4 41.8 8 68 A A S S+ 0 0 105 213,-0.3 2,-1.0 1,-0.1 -1,-0.2 0.677 87.8 79.9 -75.1 -17.8 1.5 -1.8 40.0 9 69 A K S > S- 0 0 78 1,-0.2 3,-1.9 212,-0.1 4,-0.4 -0.789 74.3-160.7 -88.8 98.5 5.1 -2.3 39.0 10 70 A D G > S+ 0 0 103 -2,-1.0 3,-1.9 1,-0.3 -1,-0.2 0.873 84.5 54.1 -55.6 -46.7 6.5 -3.7 42.2 11 71 A P G 3 S+ 0 0 115 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 0.757 106.2 56.2 -62.4 -15.3 10.2 -3.0 41.6 12 72 A W G < S+ 0 0 46 -3,-1.9 76,-2.6 75,-0.1 -2,-0.2 0.476 83.8 110.7 -92.7 -2.8 9.3 0.6 41.0 13 73 A R E < -B 87 0A 45 -3,-1.9 74,-0.2 -4,-0.4 73,-0.1 -0.442 50.8-161.8 -72.0 144.5 7.6 1.1 44.3 14 74 A L E > - 0 0 54 72,-2.3 3,-1.0 3,-0.2 72,-0.4 -0.655 16.9-167.6-123.8 74.5 9.2 3.3 47.0 15 75 A P E 3 + 0 0 82 0, 0.0 3,-0.1 0, 0.0 52,-0.1 -0.174 64.7 51.0 -63.3 154.6 7.5 2.2 50.3 16 76 A G E 3 S+ 0 0 26 1,-0.1 50,-1.5 50,-0.1 2,-0.4 0.252 97.9 76.8 99.9 -13.8 7.9 4.3 53.4 17 77 A T E < - C 0 65A 31 -3,-1.0 69,-2.4 48,-0.2 2,-0.4 -0.999 60.0-174.8-132.3 136.1 7.0 7.6 51.7 18 78 A Y E -BC 85 64A 12 46,-2.3 46,-2.5 -2,-0.4 2,-0.6 -0.961 23.7-139.8-134.3 141.8 3.4 8.6 50.9 19 79 A V E -BC 84 63A 1 65,-3.4 65,-2.7 -2,-0.4 2,-0.7 -0.913 20.1-157.5 -98.7 117.8 1.6 11.4 49.0 20 80 A V E -BC 83 62A 0 42,-3.0 42,-2.0 -2,-0.6 2,-0.5 -0.873 9.0-161.8-100.1 114.8 -1.5 12.4 50.9 21 81 A V E -BC 82 61A 5 61,-2.9 60,-3.1 -2,-0.7 61,-1.9 -0.858 4.0-155.4-104.5 124.0 -3.9 14.1 48.6 22 82 A L E -B 80 0A 2 38,-2.5 58,-0.2 -2,-0.5 57,-0.1 -0.486 34.0 -76.5 -96.1 164.9 -6.7 16.2 50.0 23 83 A K > - 0 0 105 56,-3.0 3,-2.2 -2,-0.2 -1,-0.1 -0.267 50.1-105.3 -60.2 146.2 -10.0 17.2 48.5 24 84 A E T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.796 116.9 50.4 -39.6 -51.2 -10.0 19.9 45.8 25 85 A E T 3 S+ 0 0 127 2,-0.0 -1,-0.3 35,-0.0 -2,-0.1 0.726 80.3 126.6 -65.4 -21.7 -11.4 22.7 48.0 26 86 A T < - 0 0 10 -3,-2.2 2,-0.2 53,-0.2 -4,-0.1 -0.063 54.1-137.5 -54.1 130.7 -8.9 22.1 50.8 27 87 A H >> - 0 0 110 1,-0.1 4,-2.5 33,-0.1 3,-0.8 -0.534 20.4-111.7 -88.6 152.3 -7.0 25.2 51.8 28 88 A L H 3> S+ 0 0 51 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.839 117.9 55.4 -48.3 -40.0 -3.3 25.4 52.5 29 89 A S H 3> S+ 0 0 43 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.884 109.2 46.3 -63.8 -39.3 -4.1 26.1 56.2 30 90 A Q H <> S+ 0 0 59 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.900 108.9 55.8 -71.0 -40.1 -6.2 23.0 56.5 31 91 A S H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.920 107.9 49.2 -54.3 -44.2 -3.5 21.0 54.7 32 92 A E H X S+ 0 0 86 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.861 111.1 47.7 -69.5 -35.9 -1.0 22.0 57.3 33 93 A R H X S+ 0 0 157 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.849 108.8 54.8 -73.5 -34.4 -3.2 21.2 60.3 34 94 A T H X S+ 0 0 3 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.906 109.2 48.2 -61.9 -40.8 -4.0 17.8 58.8 35 95 A A H X S+ 0 0 4 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.911 112.4 48.0 -67.4 -41.6 -0.3 17.0 58.5 36 96 A R H X S+ 0 0 191 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.875 109.9 53.5 -64.6 -38.0 0.3 18.2 62.1 37 97 A R H X S+ 0 0 126 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.862 108.0 50.4 -65.8 -34.8 -2.7 16.0 63.2 38 98 A L H X S+ 0 0 0 -4,-1.8 4,-3.2 2,-0.2 5,-0.2 0.942 110.3 48.6 -67.5 -47.5 -1.2 13.0 61.5 39 99 A Q H X S+ 0 0 69 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.899 114.4 47.0 -58.1 -41.8 2.2 13.5 63.2 40 100 A A H X S+ 0 0 38 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.958 114.8 43.8 -67.6 -52.3 0.5 13.9 66.6 41 101 A Q H X S+ 0 0 26 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.889 115.3 51.1 -58.6 -38.7 -1.8 10.8 66.2 42 102 A A H ><>S+ 0 0 0 -4,-3.2 5,-2.6 -5,-0.2 3,-0.7 0.891 109.1 50.9 -64.0 -39.5 1.2 8.9 64.9 43 103 A A H ><5S+ 0 0 63 -4,-2.2 3,-1.7 1,-0.3 -2,-0.2 0.878 102.5 58.2 -68.5 -38.9 3.3 10.0 67.9 44 104 A R H 3<5S+ 0 0 177 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.698 108.3 49.6 -62.9 -16.8 0.7 8.9 70.4 45 105 A R T <<5S- 0 0 131 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.338 125.0-100.0-108.4 4.5 1.0 5.5 68.8 46 106 A G T < 5S+ 0 0 69 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.474 78.2 132.3 98.8 3.7 4.8 5.3 69.0 47 107 A Y < - 0 0 79 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.2 -0.789 47.9-143.6-101.7 126.4 5.6 6.2 65.4 48 108 A L - 0 0 167 -2,-0.5 19,-0.4 -5,-0.1 2,-0.3 -0.571 26.1-178.3 -71.6 143.3 8.1 8.8 64.2 49 109 A T - 0 0 26 -2,-0.2 2,-0.4 17,-0.1 17,-0.2 -0.969 16.7-155.2-138.6 159.1 7.0 10.7 61.1 50 110 A K E -D 65 0A 128 15,-1.8 15,-3.6 -2,-0.3 2,-0.9 -0.975 11.1-146.6-138.1 122.6 8.5 13.4 58.9 51 111 A I E -D 64 0A 43 -2,-0.4 13,-0.2 13,-0.2 3,-0.1 -0.795 19.4-178.7 -86.0 107.2 6.5 15.9 56.8 52 112 A L E - 0 0 79 11,-2.5 2,-0.3 -2,-0.9 12,-0.2 0.696 61.3 -9.4 -86.0 -19.5 8.8 16.3 53.8 53 113 A H E -D 63 0A 41 10,-1.1 10,-3.0 2,-0.0 2,-0.5 -0.885 52.8-139.0-177.2 138.2 6.7 18.9 52.0 54 114 A V E -D 62 0A 34 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.947 29.0-133.7-108.6 128.3 3.3 20.6 51.9 55 115 A F E +D 61 0A 6 6,-2.6 6,-0.9 -2,-0.5 2,-0.3 -0.650 32.3 160.0 -83.5 128.4 1.7 21.0 48.5 56 116 A H + 0 0 76 -2,-0.4 145,-0.1 4,-0.2 -29,-0.0 -0.924 53.4 40.4-141.5 129.0 0.1 24.3 47.4 57 117 A G S S+ 0 0 32 -2,-0.3 -2,-0.0 143,-0.1 141,-0.0 -0.162 121.8 15.7 142.3 -43.5 -0.6 25.4 43.9 58 118 A L S S+ 0 0 8 1,-0.3 -3,-0.0 177,-0.0 139,-0.0 0.633 129.8 19.0-118.4 -40.8 -1.9 22.5 41.9 59 119 A L S S- 0 0 17 2,-0.1 -1,-0.3 172,-0.0 2,-0.2 -0.981 71.0-131.4-148.5 117.6 -2.9 19.9 44.4 60 120 A P + 0 0 18 0, 0.0 -38,-2.5 0, 0.0 2,-0.3 -0.496 64.9 64.2 -74.5 141.5 -3.6 20.2 48.2 61 121 A G E -CD 21 55A 0 -6,-0.9 -6,-2.6 -40,-0.2 2,-0.3 -0.963 65.8-101.0 145.1-162.4 -1.9 17.8 50.5 62 122 A F E -CD 20 54A 0 -42,-2.0 -42,-3.0 -2,-0.3 2,-0.5 -0.985 16.1-114.4-158.4 166.6 1.6 16.7 51.7 63 123 A L E -CD 19 53A 7 -10,-3.0 -11,-2.5 -2,-0.3 -10,-1.1 -0.937 36.2-173.0-108.8 121.2 4.5 14.3 51.4 64 124 A V E -CD 18 51A 0 -46,-2.5 -46,-2.3 -2,-0.5 2,-0.8 -0.954 22.3-147.3-124.2 131.4 5.1 12.3 54.6 65 125 A K E +CD 17 50A 122 -15,-3.6 -15,-1.8 -2,-0.4 2,-0.3 -0.850 50.7 123.7 -89.8 112.7 7.8 9.8 55.5 66 126 A M - 0 0 10 -50,-1.5 2,-0.2 -2,-0.8 -17,-0.1 -0.976 64.2 -78.6-158.3 168.0 6.2 7.2 57.7 67 127 A S > - 0 0 42 -19,-0.4 3,-1.6 -2,-0.3 -20,-0.0 -0.503 38.0-126.2 -68.4 143.4 5.6 3.5 58.3 68 128 A G G > S+ 0 0 28 1,-0.3 3,-2.0 -2,-0.2 4,-0.3 0.667 101.4 84.2 -64.8 -15.7 2.8 2.1 56.1 69 129 A D G 3 S+ 0 0 109 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.773 84.9 59.7 -53.0 -24.9 1.3 0.8 59.4 70 130 A L G <> S+ 0 0 4 -3,-1.6 4,-2.7 1,-0.2 -1,-0.3 0.366 75.3 96.2 -91.1 3.9 -0.2 4.3 59.7 71 131 A L H <> S+ 0 0 20 -3,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.878 80.1 52.0 -69.6 -41.0 -2.2 4.3 56.5 72 132 A E H > S+ 0 0 158 -3,-0.4 4,-0.6 -4,-0.3 -1,-0.2 0.962 114.7 45.2 -56.0 -51.0 -5.6 3.2 57.9 73 133 A L H >4 S+ 0 0 34 -4,-0.3 3,-1.5 1,-0.2 4,-0.4 0.930 112.4 50.4 -56.5 -49.2 -5.3 6.0 60.4 74 134 A A H >< S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.3 -1,-0.2 0.819 103.2 60.8 -61.7 -32.3 -4.2 8.5 57.8 75 135 A L H 3< S+ 0 0 42 -4,-2.3 -73,-0.5 1,-0.3 -1,-0.3 0.640 101.9 53.7 -71.6 -14.9 -7.1 7.6 55.5 76 136 A K T << S+ 0 0 185 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.474 82.4 115.8 -98.3 -3.9 -9.5 8.7 58.3 77 137 A L S X S- 0 0 9 -3,-1.1 3,-1.1 -4,-0.4 -43,-0.1 -0.276 79.1 -91.2 -58.0 150.1 -7.9 12.2 58.6 78 138 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.365 105.6 13.9 -63.3 141.3 -10.2 15.1 57.6 79 139 A H T 3 S+ 0 0 56 1,-0.2 -56,-3.0 -57,-0.1 2,-0.2 0.388 84.8 148.6 80.7 -3.3 -10.1 16.3 54.0 80 140 A V E < + B 0 22A 10 -3,-1.1 -58,-0.3 -58,-0.2 -1,-0.2 -0.467 21.3 173.7 -71.5 130.7 -8.3 13.3 52.6 81 141 A D E - 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