==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/LIPID TRANSPORT 19-DEC-07 3BPS . COMPND 2 MOLECULE: PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.J.KWON . 568 8 12 10 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24744.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 21.8 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 48 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 15.7 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 1 2 0 0 0 0 0 2 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 . 2 5 2 3 3 2 4 0 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 . 2 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 P T 0 0 185 0, 0.0 2,-0.3 0, 0.0 75,-0.1 0.000 360.0 360.0 360.0 153.4 39.9 19.3 9.9 2 62 P A - 0 0 20 73,-0.3 80,-0.2 80,-0.1 2,-0.2 -0.666 360.0-157.9 -99.1 135.5 38.2 16.0 11.0 3 63 P T E -a 82 0A 61 78,-0.9 80,-2.5 -2,-0.3 2,-0.4 -0.625 10.7-132.2-111.0 162.6 34.6 15.0 10.3 4 64 P F E -a 83 0A 69 78,-0.2 2,-0.3 -2,-0.2 80,-0.2 -0.942 21.9-172.6-115.7 135.6 31.9 12.7 11.7 5 65 P H E +a 84 0A 59 78,-2.5 80,-3.1 -2,-0.4 2,-0.3 -0.958 6.4 175.5-131.7 145.1 29.8 10.2 9.6 6 66 P R - 0 0 97 -2,-0.3 2,-0.1 78,-0.2 80,-0.1 -0.946 43.0 -82.8-140.5 158.4 26.9 8.0 10.4 7 67 P C - 0 0 2 -2,-0.3 6,-0.1 79,-0.2 218,-0.1 -0.402 28.9-142.6 -60.6 136.5 24.6 5.6 8.4 8 68 P A S S+ 0 0 81 216,-0.3 2,-0.9 247,-0.1 -1,-0.1 0.662 88.3 79.0 -79.2 -16.0 21.8 7.5 6.6 9 69 P K S > S- 0 0 59 1,-0.2 3,-2.1 215,-0.1 4,-0.3 -0.825 73.8-159.1 -92.9 101.2 19.4 4.6 7.3 10 70 P D G > S+ 0 0 93 -2,-0.9 3,-1.3 1,-0.3 -1,-0.2 0.787 84.4 57.1 -59.6 -39.3 18.5 5.2 10.9 11 71 P P G 3 S+ 0 0 118 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 0.605 107.1 53.3 -67.2 -5.5 17.4 1.6 11.9 12 72 P W G < S+ 0 0 39 -3,-2.1 76,-2.6 76,-0.1 -2,-0.2 0.397 83.3 112.1-106.3 -1.6 20.9 0.4 10.9 13 73 P R E < -B 87 0A 70 -3,-1.3 74,-0.2 -4,-0.3 73,-0.1 -0.519 50.5-160.8 -70.1 138.5 22.9 2.8 13.0 14 74 P L E > - 0 0 52 72,-2.7 3,-1.3 -2,-0.2 72,-0.5 -0.641 14.0-168.0-114.0 73.3 24.9 1.4 15.9 15 75 P P E 3 + 0 0 88 0, 0.0 3,-0.1 0, 0.0 52,-0.1 -0.272 69.0 46.0 -60.4 149.9 25.5 4.4 18.2 16 76 P G E 3 S+ 0 0 19 1,-0.1 50,-1.7 50,-0.1 2,-0.4 0.177 99.0 81.5 104.1 -12.6 28.1 3.8 20.9 17 77 P T E < - C 0 65A 26 -3,-1.3 69,-2.9 48,-0.2 2,-0.4 -0.995 59.1-178.7-131.5 132.9 30.6 2.1 18.6 18 78 P Y E -BC 85 64A 6 46,-2.4 46,-2.8 -2,-0.4 2,-0.7 -0.983 27.7-142.6-140.1 137.6 32.9 4.1 16.4 19 79 P V E -BC 84 63A 1 65,-3.1 65,-2.5 -2,-0.4 2,-0.8 -0.920 21.4-155.9 -96.6 114.8 35.6 3.5 13.7 20 80 P V E -BC 83 62A 0 42,-3.3 42,-1.8 -2,-0.7 2,-0.6 -0.849 9.3-161.8 -94.6 111.1 38.3 6.2 14.2 21 81 P V E -BC 82 61A 6 61,-2.5 60,-2.2 -2,-0.8 61,-1.8 -0.850 6.5-156.7 -99.5 117.4 40.1 6.6 10.9 22 82 P L E -B 80 0A 2 38,-2.3 58,-0.3 -2,-0.6 57,-0.1 -0.492 29.8 -83.4 -90.5 161.0 43.5 8.2 11.1 23 83 P K > - 0 0 101 56,-3.2 3,-1.7 -2,-0.2 -1,-0.1 -0.192 45.6-107.4 -60.0 153.4 45.4 10.1 8.4 24 84 P E T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.811 113.6 64.2 -62.1 -33.9 47.4 8.0 6.0 25 85 P E T 3 S+ 0 0 115 35,-0.0 -1,-0.3 2,-0.0 -2,-0.0 0.782 79.3 120.8 -52.4 -26.2 50.9 8.9 7.3 26 86 P T < - 0 0 13 -3,-1.7 2,-0.1 53,-0.2 -4,-0.1 -0.141 49.4-156.2 -64.5 121.8 49.9 7.2 10.6 27 87 P H > - 0 0 127 1,-0.1 4,-1.9 33,-0.1 3,-0.2 -0.439 34.0-103.6 -83.8 163.9 52.0 4.3 11.9 28 88 P L H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.868 120.9 56.7 -54.8 -39.9 50.7 1.7 14.3 29 89 P S H > S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.913 108.2 45.7 -61.4 -45.4 52.6 3.3 17.2 30 90 P Q H > S+ 0 0 41 -3,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.847 112.2 55.0 -61.6 -36.0 50.9 6.7 16.7 31 91 P S H X S+ 0 0 1 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.811 110.0 42.9 -65.5 -40.4 47.6 4.8 16.3 32 92 P E H X S+ 0 0 67 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.856 114.1 52.1 -77.4 -38.1 47.9 3.0 19.7 33 93 P R H X S+ 0 0 130 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.939 109.0 49.6 -62.4 -52.7 49.1 6.2 21.3 34 94 P T H X S+ 0 0 5 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.876 111.7 49.7 -50.9 -46.5 46.0 8.1 20.0 35 95 P A H X S+ 0 0 4 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.869 112.0 47.7 -59.4 -41.5 43.8 5.3 21.3 36 96 P R H X S+ 0 0 147 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.926 110.3 52.9 -64.8 -45.5 45.5 5.6 24.7 37 97 P R H X S+ 0 0 129 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.897 108.3 50.4 -55.5 -47.0 45.1 9.4 24.6 38 98 P L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.944 109.8 49.4 -58.0 -54.1 41.4 9.0 24.0 39 99 P Q H X S+ 0 0 69 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.833 112.4 48.1 -54.1 -39.1 40.8 6.6 26.9 40 100 P A H X S+ 0 0 59 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.888 112.2 47.4 -72.0 -42.4 42.7 8.8 29.3 41 101 P Q H X S+ 0 0 54 -4,-2.2 4,-0.7 -5,-0.2 -2,-0.2 0.887 114.3 48.8 -63.2 -41.1 40.8 12.0 28.3 42 102 P A H ><>S+ 0 0 0 -4,-2.5 5,-2.2 -5,-0.2 3,-0.8 0.916 108.3 52.4 -65.2 -46.2 37.5 10.1 28.6 43 103 P A H ><5S+ 0 0 65 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.803 103.2 57.6 -63.0 -32.0 38.3 8.6 32.0 44 104 P R H 3<5S+ 0 0 225 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.738 107.5 49.5 -69.2 -24.6 39.1 12.1 33.5 45 105 P R T <<5S- 0 0 138 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.371 125.9-106.5 -90.8 0.0 35.6 13.1 32.4 46 106 P G T < 5S+ 0 0 67 -3,-1.0 2,-0.4 1,-0.3 -3,-0.2 0.724 75.2 133.9 82.3 23.2 34.2 9.9 34.1 47 107 P Y < - 0 0 77 -5,-2.2 2,-0.3 -8,-0.1 -1,-0.3 -0.875 50.1-134.5-104.5 137.2 33.4 7.9 30.9 48 108 P L - 0 0 163 -2,-0.4 19,-0.5 -5,-0.0 2,-0.3 -0.698 26.3-176.7 -80.8 140.0 34.3 4.2 30.3 49 109 P T - 0 0 15 -2,-0.3 2,-0.4 17,-0.1 17,-0.2 -0.981 13.1-159.9-134.8 151.3 35.8 3.3 27.0 50 110 P K E -D 65 0A 128 15,-2.1 15,-2.7 -2,-0.3 2,-1.0 -0.985 13.6-145.0-131.9 122.1 36.9 0.1 25.4 51 111 P I E -D 64 0A 39 -2,-0.4 13,-0.2 13,-0.2 3,-0.1 -0.792 20.5-178.4 -83.8 106.3 39.4 -0.3 22.5 52 112 P L E - 0 0 74 11,-1.8 2,-0.3 -2,-1.0 -1,-0.2 0.790 62.2 -9.9 -76.0 -29.9 37.9 -3.2 20.6 53 113 P H E -D 63 0A 49 10,-1.2 10,-3.0 2,-0.0 2,-0.5 -0.940 52.1-144.1-168.9 139.2 40.5 -3.5 17.8 54 114 P V E -D 62 0A 27 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.977 31.7-128.5-111.1 123.4 43.5 -1.5 16.4 55 115 P F E -D 61 0A 3 6,-2.2 6,-0.7 -2,-0.5 2,-0.2 -0.558 26.1-177.6 -77.5 122.9 43.8 -1.8 12.6 56 116 P H > + 0 0 98 -2,-0.4 2,-3.2 4,-0.1 3,-0.6 -0.602 61.5 2.4 -94.6 167.7 47.0 -2.8 11.0 57 117 P G T 3 S+ 0 0 59 1,-0.2 -2,-0.0 -2,-0.2 144,-0.0 -0.103 120.3 51.8 67.5 -50.6 47.7 -3.0 7.2 58 118 P L T 3 S- 0 0 3 -2,-3.2 -1,-0.2 1,-0.4 176,-0.1 0.835 121.3 -7.8 -98.5 -40.8 44.5 -1.9 5.5 59 119 P L S < S- 0 0 19 -3,-0.6 2,-0.4 2,-0.1 -1,-0.4 -0.976 72.3-111.4-145.3 154.4 43.7 1.5 7.1 60 120 P P S S+ 0 0 16 0, 0.0 -38,-2.3 0, 0.0 2,-0.3 -0.748 72.7 58.7 -86.8 136.2 45.2 3.3 10.1 61 121 P G E -CD 21 55A 0 -6,-0.7 -6,-2.2 -2,-0.4 2,-0.3 -0.960 64.5 -99.3 149.3-162.3 43.0 3.6 13.1 62 122 P F E -CD 20 54A 0 -42,-1.8 -42,-3.3 -2,-0.3 2,-0.5 -0.973 18.7-117.2-155.3 161.7 41.0 1.8 15.8 63 123 P L E -CD 19 53A 6 -10,-3.0 -11,-1.8 -2,-0.3 -10,-1.2 -0.937 36.3-175.5-106.9 125.6 37.5 0.6 16.8 64 124 P V E -CD 18 51A 0 -46,-2.8 -46,-2.4 -2,-0.5 2,-0.6 -0.964 21.9-150.7-128.6 136.4 36.3 2.1 20.1 65 125 P K E +CD 17 50A 123 -15,-2.7 -15,-2.1 -2,-0.4 2,-0.3 -0.933 46.2 122.4-104.0 118.8 33.2 1.6 22.2 66 126 P M - 0 0 7 -50,-1.7 -17,-0.1 -2,-0.6 -50,-0.1 -0.968 64.2 -66.9-161.4 167.6 32.3 4.8 24.1 67 127 P S > - 0 0 42 -19,-0.5 3,-1.8 -2,-0.3 4,-0.1 -0.352 38.1-128.6 -59.9 137.0 29.5 7.3 24.7 68 128 P G G > S+ 0 0 29 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.734 103.4 80.1 -58.3 -21.6 28.6 9.5 21.7 69 129 P D G 3 S+ 0 0 118 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.691 87.1 57.6 -54.7 -22.1 29.1 12.4 24.2 70 130 P L G <> S+ 0 0 3 -3,-1.8 4,-2.7 1,-0.2 -1,-0.3 0.411 76.4 97.2 -93.3 -1.1 32.9 12.1 23.6 71 131 P L H <> S+ 0 0 27 -3,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.880 81.6 50.7 -58.4 -45.2 32.7 12.6 19.8 72 132 P E H > S+ 0 0 163 -3,-0.3 4,-0.7 -4,-0.3 -1,-0.2 0.925 114.3 45.6 -60.1 -43.6 33.7 16.2 19.9 73 133 P L H >4 S+ 0 0 38 -4,-0.3 3,-0.6 1,-0.2 4,-0.2 0.882 112.0 51.8 -61.9 -41.0 36.6 15.4 22.1 74 134 P A H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.880 103.7 57.6 -66.0 -38.3 37.6 12.4 19.8 75 135 P L H 3< S+ 0 0 41 -4,-2.5 -73,-0.3 1,-0.3 -1,-0.2 0.697 101.3 58.1 -64.4 -21.5 37.5 14.6 16.6 76 136 P K T << S+ 0 0 175 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.491 81.4 112.6 -86.6 -5.9 40.1 16.9 18.2 77 137 P L S X S- 0 0 7 -3,-1.5 3,-1.2 -4,-0.2 2,-0.0 -0.376 77.8 -98.2 -70.5 144.7 42.6 14.0 18.7 78 138 P P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.366 103.3 21.1 -65.2 146.1 45.8 14.2 16.6 79 139 P H T 3 S+ 0 0 52 1,-0.2 -56,-3.2 -57,-0.1 2,-0.5 0.394 84.1 148.0 78.4 2.0 46.1 12.2 13.3 80 140 P V E < + B 0 22A 7 -3,-1.2 -58,-0.3 -58,-0.3 -1,-0.2 -0.575 22.0 173.2 -74.2 118.5 42.3 11.9 13.0 81 141 P D E - 0 0 51 -60,-2.2 -78,-0.9 -2,-0.5 2,-0.3 0.929 67.3 -38.8 -78.7 -65.9 41.0 11.9 9.4 82 142 P Y E -aB 3 21A 9 -61,-1.8 -61,-2.5 -80,-0.2 2,-0.4 -0.962 49.8-128.0-152.2 172.1 37.4 11.1 10.2 83 143 P I E -aB 4 20A 0 -80,-2.5 -78,-2.5 -2,-0.3 2,-0.5 -0.995 18.7-162.6-128.1 132.7 35.2 9.1 12.6 84 144 P E E -aB 5 19A 6 -65,-2.5 -65,-3.1 -2,-0.4 -78,-0.2 -0.975 18.3-130.4-117.9 123.8 32.4 6.8 11.4 85 145 P E E - B 0 18A 3 -80,-3.1 -67,-0.3 -2,-0.5 -78,-0.2 -0.493 38.0-107.9 -61.7 134.6 29.6 5.5 13.7 86 146 P D E - 0 0 5 -69,-2.9 -72,-2.7 -72,-0.5 2,-0.3 -0.205 42.5-177.1 -61.6 155.9 29.3 1.8 13.3 87 147 P S E - B 0 13A 1 -74,-0.2 105,-2.4 -81,-0.1 106,-0.2 -0.975 24.9 -85.6-153.8 168.0 26.3 0.3 11.4 88 148 P S E -E 191 0B 5 -76,-2.6 135,-0.5 -2,-0.3 2,-0.3 -0.411 26.8-166.1 -80.0 146.4 24.7 -3.0 10.4 89 149 P V E -E 190 0B 0 101,-1.6 101,-2.8 133,-0.1 2,-0.4 -0.959 11.3-155.6-125.3 152.4 25.3 -5.2 7.4 90 150 P F E -EF 189 221B 52 131,-2.5 131,-1.8 -2,-0.3 99,-0.2 -0.974 24.1-106.4-133.8 137.0 23.0 -8.0 6.2 91 151 P A E F 0 220B 28 97,-2.2 129,-0.3 -2,-0.4 33,-0.1 -0.391 360.0 360.0 -50.6 125.7 23.3 -11.2 4.2 92 152 P Q 0 0 16 127,-2.3 -1,-0.1 -2,-0.1 222,-0.1 -0.057 360.0 360.0-100.0 360.0 21.7 -10.6 0.8 93 !* 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 94 153 A S 0 0 107 0, 0.0 448,-0.1 0, 0.0 447,-0.1 0.000 360.0 360.0 360.0 -87.2 19.8 -32.9 -15.4 95 154 A I - 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