==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-AUG-07 2QTW . COMPND 2 MOLECULE: PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 PRO . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.N.HAMPTON,M.W.KNUTH,J.LI,J.L.HARRIS,S.A.LESLEY,G.SPRAGGON . 578 9 12 6 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24092.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 135 23.4 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 . 1 0.2 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 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 15.1 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 1 2 0 0 0 0 1 1 1 0 0 0 0 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 0 160 0, 0.0 2,-0.4 0, 0.0 74,-0.0 0.000 360.0 360.0 360.0 3.0 45.7 28.2 49.6 2 62 A A - 0 0 28 73,-0.2 2,-0.3 80,-0.1 80,-0.3 -0.655 360.0-167.1 -83.2 132.7 41.9 27.8 50.2 3 63 A T E -a 82 0A 60 78,-1.3 80,-2.4 -2,-0.4 2,-0.4 -0.816 15.4-135.0-123.2 160.4 39.9 30.4 48.3 4 64 A F E -a 83 0A 63 -2,-0.3 2,-0.4 78,-0.2 80,-0.2 -0.892 21.4-178.2-114.7 144.0 36.3 31.7 48.2 5 65 A H E +a 84 0A 61 78,-2.4 80,-2.3 -2,-0.4 2,-0.3 -0.999 5.7 176.2-142.8 140.1 34.2 32.3 45.1 6 66 A R - 0 0 130 -2,-0.4 80,-0.1 78,-0.2 81,-0.1 -0.964 44.5 -75.3-142.5 163.6 30.8 33.6 44.4 7 67 A C - 0 0 8 -2,-0.3 6,-0.1 78,-0.2 215,-0.1 -0.220 28.2-149.9 -62.1 131.8 28.8 34.3 41.4 8 68 A A S S+ 0 0 104 213,-0.3 2,-1.3 1,-0.1 -1,-0.2 0.720 87.9 77.7 -69.5 -29.4 29.8 37.5 39.6 9 69 A K S > S- 0 0 72 1,-0.2 3,-2.2 212,-0.1 4,-0.4 -0.744 77.2-160.4 -83.2 94.4 26.1 38.0 38.4 10 70 A D G > S+ 0 0 101 -2,-1.3 3,-1.6 1,-0.3 -1,-0.2 0.829 82.4 58.0 -54.3 -40.8 25.0 39.3 41.7 11 71 A P G 3 S+ 0 0 115 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 0.698 103.2 55.9 -60.9 -19.0 21.2 38.6 41.2 12 72 A W G < S+ 0 0 45 -3,-2.2 76,-2.9 76,-0.1 -2,-0.2 0.483 83.8 109.9 -94.6 -4.0 22.0 34.9 40.6 13 73 A R E < -B 87 0A 43 -3,-1.6 74,-0.3 -4,-0.4 73,-0.1 -0.359 52.2-159.7 -69.3 151.1 23.7 34.4 43.9 14 74 A L E > - 0 0 50 72,-2.4 3,-1.0 3,-0.2 72,-0.5 -0.663 17.7-163.0-132.3 74.9 22.1 32.3 46.7 15 75 A P E 3 + 0 0 82 0, 0.0 3,-0.1 0, 0.0 52,-0.1 -0.112 67.3 47.9 -56.3 153.6 23.9 33.5 49.9 16 76 A G E 3 S+ 0 0 26 1,-0.1 50,-1.7 50,-0.1 2,-0.4 0.306 97.0 77.1 94.9 -9.6 23.6 31.3 53.0 17 77 A T E < - C 0 65A 27 -3,-1.0 69,-2.9 48,-0.2 2,-0.4 -0.997 60.2-173.6-133.7 134.1 24.5 28.0 51.2 18 78 A Y E -BC 85 64A 12 46,-2.8 46,-3.0 -2,-0.4 2,-0.6 -0.972 23.1-139.5-133.0 137.7 28.1 27.0 50.3 19 79 A V E -BC 84 63A 2 65,-3.3 65,-2.7 -2,-0.4 2,-0.7 -0.904 20.7-155.6 -95.4 116.0 29.7 24.2 48.4 20 80 A V E -BC 83 62A 0 42,-3.1 42,-1.9 -2,-0.6 2,-0.6 -0.865 8.9-161.8 -99.1 111.7 32.9 23.3 50.3 21 81 A V E -BC 82 61A 5 61,-3.3 60,-3.2 -2,-0.7 61,-1.8 -0.884 3.9-158.7-103.1 123.2 35.2 21.7 47.8 22 82 A L E -B 80 0A 2 38,-2.5 58,-0.2 -2,-0.6 57,-0.1 -0.498 35.4 -74.3 -97.9 167.1 38.0 19.6 49.3 23 83 A K > - 0 0 100 56,-2.8 3,-2.3 -2,-0.2 -1,-0.1 -0.259 54.0-100.6 -67.0 149.1 41.3 18.6 47.6 24 84 A E T 3 S+ 0 0 125 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.715 116.2 43.3 -40.7 -47.0 41.1 16.0 44.9 25 85 A E T 3 S+ 0 0 182 2,-0.1 -1,-0.3 35,-0.0 -2,-0.1 0.460 80.6 132.9 -91.9 7.8 42.3 12.9 46.8 26 86 A T < - 0 0 17 -3,-2.3 2,-0.2 53,-0.1 -4,-0.1 -0.297 53.3-130.2 -59.7 133.3 40.2 13.6 49.9 27 87 A H >> - 0 0 113 1,-0.1 4,-2.6 33,-0.1 3,-0.7 -0.552 16.2-114.6 -89.1 148.6 38.3 10.5 51.1 28 88 A L H 3> S+ 0 0 45 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.856 118.1 54.6 -46.3 -43.9 34.6 10.5 51.9 29 89 A S H 3> S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.897 109.2 47.6 -60.0 -39.6 35.5 9.7 55.5 30 90 A Q H <> S+ 0 0 67 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.893 110.9 52.2 -69.4 -38.5 37.7 12.8 55.6 31 91 A S H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.929 111.0 46.6 -61.5 -44.8 34.9 14.9 54.0 32 92 A E H X S+ 0 0 79 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.916 113.0 48.9 -64.1 -44.2 32.4 13.8 56.6 33 93 A R H X S+ 0 0 165 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.877 110.5 51.9 -62.7 -38.4 34.8 14.5 59.4 34 94 A T H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.919 109.1 49.9 -65.3 -40.6 35.5 17.9 57.9 35 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.902 111.7 48.1 -59.9 -45.6 31.8 18.7 57.8 36 96 A R H X S+ 0 0 116 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.888 109.1 53.7 -63.5 -40.4 31.4 17.6 61.4 37 97 A R H X S+ 0 0 129 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.947 108.8 49.4 -61.2 -47.6 34.3 19.7 62.4 38 98 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.918 110.7 49.2 -53.3 -48.0 32.8 22.8 60.8 39 99 A Q H X S+ 0 0 55 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.868 114.2 46.4 -64.8 -36.5 29.4 22.2 62.5 40 100 A A H X S+ 0 0 47 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.918 114.1 46.3 -68.6 -48.9 31.2 21.8 65.9 41 101 A Q H X S+ 0 0 20 -4,-3.1 4,-0.5 2,-0.2 -2,-0.2 0.865 115.4 48.4 -62.4 -37.0 33.4 24.9 65.4 42 102 A A H ><>S+ 0 0 0 -4,-2.9 5,-2.5 -5,-0.3 3,-1.4 0.936 108.9 51.9 -64.6 -51.5 30.3 26.8 64.2 43 103 A A H ><5S+ 0 0 65 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.840 104.9 56.9 -55.2 -37.7 28.2 25.6 67.2 44 104 A R H 3<5S+ 0 0 182 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.716 106.7 49.8 -67.9 -20.0 30.9 26.8 69.5 45 105 A R T <<5S- 0 0 162 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.324 126.0-102.1 -99.6 5.7 30.6 30.2 68.0 46 106 A G T < 5S+ 0 0 70 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.588 78.3 135.1 86.9 14.9 26.8 30.2 68.4 47 107 A Y < - 0 0 75 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.2 -0.837 48.4-141.1-105.0 131.4 26.0 29.4 64.8 48 108 A L - 0 0 167 -2,-0.4 19,-0.4 -6,-0.1 2,-0.3 -0.633 26.7-178.7 -77.9 139.3 23.5 26.8 63.5 49 109 A T - 0 0 27 -2,-0.3 2,-0.4 17,-0.1 17,-0.2 -0.954 16.4-157.2-134.1 159.4 24.7 24.9 60.4 50 110 A K E -D 65 0A 132 15,-2.0 15,-3.4 -2,-0.3 2,-0.9 -0.971 11.4-147.4-139.3 124.9 23.1 22.2 58.3 51 111 A I E -D 64 0A 30 -2,-0.4 13,-0.2 13,-0.2 3,-0.1 -0.835 19.4-178.8 -88.3 106.7 25.1 19.8 56.1 52 112 A L E - 0 0 69 11,-1.9 2,-0.3 -2,-0.9 12,-0.2 0.737 62.1 -6.7 -78.8 -26.7 22.7 19.3 53.2 53 113 A H E -D 63 0A 44 10,-1.2 10,-2.9 -3,-0.1 2,-0.5 -0.951 55.3-138.6-169.1 142.7 24.8 16.8 51.3 54 114 A V E -D 62 0A 24 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.988 28.3-140.4-114.7 124.2 28.3 15.2 51.3 55 115 A F E +D 61 0A 11 6,-2.3 6,-1.5 -2,-0.5 2,-0.3 -0.671 33.9 149.4 -85.8 132.3 29.8 15.0 47.9 56 116 A H + 0 0 71 -2,-0.4 -29,-0.1 4,-0.2 3,-0.1 -0.945 49.0 49.1-155.0 147.1 31.7 12.0 46.8 57 117 A G S S+ 0 0 37 -2,-0.3 -2,-0.0 1,-0.1 141,-0.0 -0.027 121.9 21.3 118.3 -34.1 32.3 10.4 43.4 58 118 A L S S+ 0 0 8 1,-0.6 -1,-0.1 135,-0.0 -3,-0.0 0.551 135.9 5.5-119.1 -62.5 33.2 13.4 41.3 59 119 A L S S- 0 0 31 134,-0.1 -1,-0.6 -3,-0.1 2,-0.3 -0.942 74.2-128.9-117.6 140.3 34.4 16.1 43.7 60 120 A P + 0 0 12 0, 0.0 -38,-2.5 0, 0.0 2,-0.3 -0.746 62.8 77.4 -86.0 146.8 34.9 15.5 47.4 61 121 A G E -CD 21 55A 1 -6,-1.5 -6,-2.3 -2,-0.3 2,-0.3 -0.982 64.1 -99.5 156.6-158.5 33.2 18.1 49.7 62 122 A F E -CD 20 54A 0 -42,-1.9 -42,-3.1 -2,-0.3 2,-0.5 -0.982 15.9-122.3-155.8 160.1 29.9 19.0 51.2 63 123 A L E -CD 19 53A 6 -10,-2.9 -11,-1.9 -2,-0.3 -10,-1.2 -0.953 36.1-173.3-107.0 129.1 27.0 21.4 50.8 64 124 A V E -CD 18 51A 0 -46,-3.0 -46,-2.8 -2,-0.5 2,-0.7 -0.968 24.1-147.9-133.5 135.0 26.4 23.5 53.9 65 125 A K E +CD 17 50A 120 -15,-3.4 -15,-2.0 -2,-0.4 2,-0.3 -0.918 51.1 123.0 -97.6 114.2 23.7 25.9 55.0 66 126 A M - 0 0 9 -50,-1.7 2,-0.2 -2,-0.7 -17,-0.1 -0.974 65.6 -77.1-162.0 164.7 25.3 28.4 57.2 67 127 A S > - 0 0 44 -19,-0.4 3,-1.9 -2,-0.3 4,-0.1 -0.472 36.5-127.1 -69.1 141.6 26.0 32.1 57.7 68 128 A G G > S+ 0 0 27 1,-0.3 3,-2.3 -2,-0.2 4,-0.3 0.706 102.0 83.9 -64.2 -18.0 28.8 33.5 55.5 69 129 A D G 3 S+ 0 0 111 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.824 85.6 57.6 -47.9 -35.2 30.3 34.8 58.7 70 130 A L G <> S+ 0 0 2 -3,-1.9 4,-2.9 1,-0.2 -1,-0.3 0.399 77.1 96.8 -80.7 2.8 31.8 31.3 59.1 71 131 A L H <> S+ 0 0 20 -3,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.888 81.4 50.4 -66.0 -40.3 33.7 31.4 55.8 72 132 A E H > S+ 0 0 163 -3,-0.5 4,-0.5 -4,-0.3 -1,-0.2 0.922 114.6 46.1 -58.9 -43.0 37.0 32.5 57.2 73 133 A L H >4 S+ 0 0 19 -4,-0.3 3,-1.4 1,-0.2 -2,-0.2 0.954 113.3 49.9 -60.5 -47.9 36.7 29.6 59.7 74 134 A A H >< S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.3 -2,-0.2 0.826 103.0 59.1 -61.6 -38.7 35.6 27.2 56.9 75 135 A L H 3< S+ 0 0 40 -4,-2.5 -1,-0.3 1,-0.3 -73,-0.2 0.665 101.8 56.5 -65.5 -18.0 38.5 28.1 54.7 76 136 A K T << S+ 0 0 179 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.437 82.2 114.3 -93.5 -0.1 40.9 27.0 57.5 77 137 A L S X S- 0 0 8 -3,-1.5 3,-1.4 -4,-0.2 -43,-0.1 -0.333 79.1 -92.6 -66.2 154.4 39.4 23.5 57.7 78 138 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.313 106.5 16.0 -64.7 151.2 41.6 20.6 56.7 79 139 A H T 3 S+ 0 0 56 1,-0.2 -56,-2.8 -57,-0.1 2,-0.2 0.323 83.9 150.3 73.5 -4.5 41.4 19.5 53.1 80 140 A V E < + B 0 22A 5 -3,-1.4 -58,-0.3 -58,-0.2 -1,-0.2 -0.398 19.2 170.9 -69.8 129.0 39.7 22.6 51.8 81 141 A D E - 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