==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUN-11 3SOP . COMPND 2 MOLECULE: NEURONAL-SPECIFIC SEPTIN-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.A.MARQUES,J.N.A.MACEDO,H.M.PEREIRA,N.F.VALADARES,A.P.U.ARA . 500 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 5.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 59 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.0 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 0 0 0 1 4 2 4 1 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 5 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 . 1 2 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 60 A F 0 0 145 0, 0.0 46,-1.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 107.7 -3.6 5.0 25.7 2 61 A D E -a 47 0A 31 44,-0.2 2,-0.4 46,-0.0 46,-0.2 -0.991 360.0-175.4-131.5 134.8 -1.1 7.7 26.6 3 62 A F E -a 48 0A 0 44,-1.8 46,-2.0 -2,-0.4 2,-0.5 -0.995 7.3-160.8-132.1 130.3 0.3 10.4 24.4 4 63 A N E -a 49 0A 5 -2,-0.4 95,-1.7 92,-0.3 94,-1.2 -0.944 7.2-176.6-118.0 125.0 3.0 12.9 25.4 5 64 A I E -ab 50 99A 2 44,-1.8 46,-3.6 -2,-0.5 2,-0.4 -0.916 6.2-162.9-115.8 145.1 3.7 16.2 23.7 6 65 A M E -ab 51 100A 2 93,-1.9 95,-3.0 -2,-0.4 2,-0.5 -0.993 8.8-148.3-131.2 131.9 6.6 18.6 24.6 7 66 A V E + b 0 101A 4 44,-2.5 2,-0.3 -2,-0.4 95,-0.2 -0.869 24.2 175.5-100.7 125.2 7.0 22.3 23.7 8 67 A V E + b 0 102A 1 93,-3.4 95,-3.4 -2,-0.5 2,-0.3 -0.884 21.2 73.6-127.6 154.1 10.5 23.6 23.2 9 68 A G E S- b 0 103A 2 -2,-0.3 95,-0.1 93,-0.2 4,-0.1 -0.846 72.0 -16.7 142.1-173.5 12.1 26.8 22.2 10 69 A Q S S- 0 0 22 93,-0.8 3,-0.4 -2,-0.3 2,-0.3 -0.081 70.5 -98.1 -58.5 160.8 13.0 30.4 23.0 11 70 A S S S+ 0 0 30 1,-0.2 -1,-0.1 44,-0.2 357,-0.1 -0.607 101.5 30.7 -84.9 145.1 11.4 32.1 26.0 12 71 A G S S+ 0 0 11 -2,-0.3 -1,-0.2 355,-0.1 -2,-0.1 0.923 80.1 115.9 75.5 47.7 8.5 34.5 25.4 13 72 A L S S- 0 0 8 -3,-0.4 121,-0.5 -4,-0.1 -2,-0.1 0.297 91.2-100.0-124.4 4.1 7.0 32.7 22.3 14 73 A G S > S+ 0 0 27 352,-0.2 4,-2.3 119,-0.1 5,-0.1 0.735 78.3 137.6 80.8 24.8 3.7 31.6 23.7 15 74 A K H > S+ 0 0 11 -5,-0.2 4,-1.7 2,-0.2 -4,-0.1 0.933 75.5 43.3 -65.0 -47.3 4.8 28.1 24.3 16 75 A S H > S+ 0 0 24 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.883 113.6 51.8 -66.4 -39.8 3.1 28.0 27.7 17 76 A T H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.927 106.6 53.9 -62.5 -46.6 -0.0 29.7 26.4 18 77 A L H X S+ 0 0 5 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.890 101.6 59.4 -54.4 -44.9 -0.3 27.2 23.5 19 78 A V H X S+ 0 0 2 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.926 111.0 40.8 -50.1 -48.7 -0.2 24.3 26.0 20 79 A N H X S+ 0 0 65 -4,-1.4 4,-2.3 -3,-0.2 -1,-0.2 0.869 114.0 51.4 -71.9 -37.4 -3.3 25.6 27.7 21 80 A T H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.887 109.5 52.6 -64.4 -38.7 -5.0 26.5 24.4 22 81 A L H X S+ 0 0 14 -4,-3.3 4,-1.7 -5,-0.2 3,-0.3 0.931 110.6 46.5 -60.2 -47.5 -4.3 23.0 23.2 23 82 A F H X S+ 0 0 14 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.861 111.8 50.6 -64.3 -38.1 -5.9 21.6 26.4 24 83 A K H < S+ 0 0 38 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.740 106.7 57.9 -71.4 -22.1 -9.0 23.8 26.1 25 84 A S H < S+ 0 0 22 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.957 110.9 37.4 -74.4 -52.5 -9.4 22.8 22.5 26 85 A Q H < 0 0 56 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.868 360.0 360.0 -64.7 -38.7 -9.8 19.1 23.0 27 86 A V < 0 0 118 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.693 360.0 360.0 -85.6 360.0 -11.7 19.7 26.2 28 ! 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 29 99 A I 0 0 111 0, 0.0 -12,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 75.7 0.4 32.4 32.7 30 100 A P - 0 0 115 0, 0.0 2,-0.6 0, 0.0 -14,-0.1 0.154 360.0 -68.9 -67.5-169.3 3.7 33.0 34.6 31 101 A K - 0 0 111 1,-0.0 2,-0.1 -15,-0.0 -20,-0.0 -0.794 44.4-120.5 -95.2 120.0 7.2 32.1 33.3 32 102 A T + 0 0 25 -2,-0.6 23,-0.2 21,-0.2 3,-0.1 -0.306 37.7 166.0 -55.9 125.4 8.2 28.4 33.1 33 103 A V + 0 0 126 1,-0.2 2,-0.3 21,-0.1 -1,-0.2 0.702 62.3 30.9-111.4 -35.4 11.2 27.8 35.3 34 104 A E S S- 0 0 64 19,-0.1 2,-1.5 2,-0.0 -1,-0.2 -0.806 91.4 -95.3-122.8 165.2 11.3 24.0 35.6 35 105 A I + 0 0 54 -2,-0.3 2,-0.5 18,-0.1 18,-0.1 -0.632 54.8 167.5 -83.1 88.8 10.3 21.2 33.2 36 106 A K - 0 0 60 -2,-1.5 16,-2.0 2,-0.0 2,-0.6 -0.904 20.8-157.1-108.9 131.2 6.8 20.4 34.5 37 107 A A E -C 51 0A 43 -2,-0.5 2,-0.5 14,-0.2 14,-0.3 -0.917 4.3-162.6-112.4 115.4 4.4 18.2 32.5 38 108 A I E -C 50 0A 78 12,-1.6 12,-2.5 -2,-0.6 2,-0.4 -0.825 6.6-164.2 -97.7 131.4 0.6 18.5 33.0 39 109 A G E -C 49 0A 47 -2,-0.5 2,-0.6 10,-0.3 10,-0.3 -0.950 9.8-152.3-118.0 133.5 -1.6 15.7 31.8 40 110 A H E -C 48 0A 84 8,-2.3 2,-2.8 -2,-0.4 8,-1.3 -0.910 12.4-144.9-105.0 114.3 -5.4 15.8 31.4 41 111 A V S S+ 0 0 99 -2,-0.6 2,-0.3 6,-0.2 6,-0.2 -0.250 72.3 81.7 -73.0 53.9 -7.1 12.4 31.8 42 112 A I 0 0 44 -2,-2.8 6,-0.6 1,-0.3 -2,-0.1 -0.980 360.0 360.0-152.6 159.7 -9.7 13.1 29.1 43 113 A E 0 0 131 -2,-0.3 -1,-0.3 4,-0.1 -16,-0.2 0.961 360.0 360.0 -55.8 360.0 -9.9 13.1 25.3 44 ! 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 45 118 A K 0 0 106 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 -71.2 -10.1 7.1 26.3 46 119 A M - 0 0 16 -44,-0.0 2,-0.6 -6,-0.0 -44,-0.2 -0.858 360.0-151.6-117.3 148.3 -6.8 9.0 26.1 47 120 A K E -a 2 0A 39 -46,-1.6 -44,-1.8 -2,-0.3 2,-0.7 -0.905 18.2-169.6-117.2 101.6 -4.5 10.7 28.6 48 121 A L E -aC 3 40A 5 -8,-1.3 -8,-2.3 -6,-0.6 2,-0.5 -0.815 3.8-175.9 -97.5 112.1 -2.7 13.6 26.9 49 122 A T E -aC 4 39A 35 -46,-2.0 -44,-1.8 -2,-0.7 2,-0.4 -0.929 8.4-158.3-110.7 121.3 0.1 15.1 29.0 50 123 A V E -aC 5 38A 1 -12,-2.5 -12,-1.6 -2,-0.5 2,-0.6 -0.832 8.7-142.7-101.1 136.0 1.9 18.1 27.6 51 124 A I E -aC 6 37A 3 -46,-3.6 -44,-2.5 -2,-0.4 -14,-0.2 -0.866 13.5-157.5-103.7 118.5 5.4 19.0 28.8 52 125 A D - 0 0 22 -16,-2.0 -44,-0.1 -2,-0.6 -36,-0.0 -0.410 13.1-179.4 -86.5 165.9 6.3 22.7 29.3 53 126 A T - 0 0 4 -18,-0.1 2,-0.2 -2,-0.1 -21,-0.2 -0.982 17.7-139.8-163.3 152.0 9.9 24.1 29.2 54 127 A P 0 0 40 0, 0.0 -45,-0.2 0, 0.0 -21,-0.1 -0.704 360.0 360.0-108.7 166.3 11.9 27.4 29.6 55 128 A G 0 0 45 -2,-0.2 -44,-0.2 -23,-0.2 -45,-0.1 0.475 360.0 360.0 71.7 360.0 14.9 28.7 27.7 56 ! 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 57 131 A D 0 0 37 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 25.1 17.9 32.9 26.1 58 132 A Q - 0 0 36 1,-0.1 262,-0.3 313,-0.1 3,-0.2 -0.963 360.0-102.4-168.3 156.9 21.1 33.7 28.1 59 133 A I S S+ 0 0 42 -2,-0.3 261,-2.0 1,-0.2 2,-0.5 0.876 118.0 30.4 -54.5 -38.8 24.4 35.5 27.8 60 134 A N B +F 319 0B 81 259,-0.2 -1,-0.2 -3,-0.1 259,-0.2 -0.971 65.0 175.6-125.2 118.6 26.0 32.1 27.3 61 135 A N > + 0 0 14 257,-1.4 2,-0.6 -2,-0.5 3,-0.6 -0.455 20.9 151.1-118.3 57.7 24.0 29.3 25.7 62 136 A E T 3 S- 0 0 58 1,-0.3 -2,-0.1 -2,-0.2 257,-0.0 -0.808 78.4 -9.3 -92.7 122.3 26.5 26.4 25.4 63 137 A N T 3 S+ 0 0 88 -2,-0.6 3,-0.3 1,-0.1 -1,-0.3 0.916 80.6 153.9 57.8 46.3 24.9 23.0 25.6 64 138 A C < + 0 0 36 -3,-0.6 4,-0.3 1,-0.2 -1,-0.1 0.548 66.2 62.0 -79.4 -8.2 21.5 24.4 26.5 65 139 A W S >> S+ 0 0 11 1,-0.2 4,-2.5 2,-0.1 3,-1.1 0.761 79.7 82.8 -87.1 -28.8 19.9 21.4 25.0 66 140 A E H 3> S+ 0 0 108 -3,-0.3 4,-3.1 1,-0.3 5,-0.2 0.836 84.8 58.3 -45.6 -45.1 21.4 18.8 27.4 67 141 A P H 3> S+ 0 0 76 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.909 112.8 40.0 -54.2 -43.1 18.8 19.5 30.1 68 142 A I H <> S+ 0 0 9 -3,-1.1 4,-2.7 -4,-0.3 -2,-0.2 0.893 114.4 52.3 -72.1 -42.5 16.1 18.5 27.7 69 143 A E H X S+ 0 0 43 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.868 108.0 53.0 -60.0 -37.6 18.1 15.6 26.2 70 144 A K H X S+ 0 0 61 -4,-3.1 4,-1.4 -5,-0.3 -1,-0.2 0.881 109.9 48.6 -64.8 -39.6 18.7 14.3 29.7 71 145 A Y H X S+ 0 0 53 -4,-1.4 4,-1.9 -5,-0.2 -2,-0.2 0.957 112.5 46.0 -65.5 -52.8 14.9 14.4 30.3 72 146 A I H >X S+ 0 0 1 -4,-2.7 4,-1.7 1,-0.2 3,-0.6 0.953 115.2 46.7 -54.2 -53.8 14.0 12.6 27.1 73 147 A N H 3X S+ 0 0 68 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.802 108.8 57.9 -58.7 -28.4 16.7 10.0 27.7 74 148 A E H 3X S+ 0 0 50 -4,-1.4 4,-1.4 -5,-0.2 -1,-0.2 0.863 104.9 49.8 -69.0 -35.8 15.4 9.8 31.3 75 149 A Q H + 0 0 61 -2,-0.7 3,-1.0 1,-0.2 -1,-0.1 -0.343 47.7 151.0 -77.8 63.2 6.2 -6.5 32.9 86 160 A I T 3 S+ 0 0 151 -2,-2.6 -1,-0.2 1,-0.3 -4,-0.1 0.908 80.3 45.9 -60.0 -43.4 7.5 -7.5 36.3 87 161 A A T 3 S- 0 0 92 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.546 112.1-131.5 -72.4 -6.4 4.2 -6.3 37.9 88 162 A R < + 0 0 218 -3,-1.0 2,-0.4 1,-0.2 -2,-0.1 0.943 40.3 174.9 50.4 58.5 2.6 -8.2 35.0 89 163 A K - 0 0 41 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.779 37.9-133.0 -95.7 136.0 0.3 -5.3 34.0 90 164 A K S S+ 0 0 225 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.866 95.7 34.7 -53.7 -40.5 -1.9 -5.7 30.9 91 165 A R S S- 0 0 78 -3,-0.0 -1,-0.1 -90,-0.0 -2,-0.0 -0.953 78.9-139.1-120.3 139.9 -0.8 -2.2 29.8 92 166 A I - 0 0 55 -2,-0.4 -9,-0.1 -9,-0.0 2,-0.1 -0.854 23.9-120.2-100.4 122.1 2.6 -0.6 30.3 93 167 A P - 0 0 76 0, 0.0 2,-0.5 0, 0.0 -11,-0.1 -0.337 27.1-158.9 -59.6 133.1 2.7 3.1 31.2 94 168 A D + 0 0 15 1,-0.1 -18,-0.1 2,-0.1 -19,-0.0 -0.941 26.1 163.5-124.7 110.1 4.6 5.2 28.6 95 169 A T + 0 0 69 -2,-0.5 2,-0.1 -20,-0.3 -19,-0.1 0.176 37.1 127.1-108.6 15.3 6.0 8.6 29.6 96 170 A R S S- 0 0 6 -21,-0.2 2,-0.8 1,-0.1 -92,-0.3 -0.447 71.1-104.7 -73.5 146.4 8.4 8.9 26.6 97 171 A V + 0 0 0 1,-0.2 30,-0.4 -25,-0.2 3,-0.1 -0.614 41.2 175.1 -77.1 110.6 8.2 12.1 24.5 98 172 A H + 0 0 0 -94,-1.2 29,-0.7 -2,-0.8 2,-0.4 0.961 67.7 19.5 -79.3 -57.7 6.4 11.1 21.3 99 173 A C E -bd 5 127A 0 -95,-1.7 -93,-1.9 27,-0.1 2,-0.4 -0.956 65.7-169.1-120.4 134.6 6.1 14.5 19.6 100 174 A C E -bd 6 128A 0 27,-3.3 29,-2.7 -2,-0.4 2,-0.6 -0.981 9.4-151.4-126.9 126.1 8.1 17.6 20.3 101 175 A L E -bd 7 129A 5 -95,-3.0 -93,-3.4 -2,-0.4 2,-0.7 -0.837 4.9-156.0-100.7 121.0 7.3 21.1 19.0 102 176 A Y E -bd 8 130A 1 27,-1.0 29,-2.1 -2,-0.6 2,-0.4 -0.848 14.4-141.1 -98.5 113.1 10.2 23.5 18.5 103 177 A F E -bd 9 131A 2 -95,-3.4 -93,-0.8 -2,-0.7 2,-0.5 -0.574 13.8-158.6 -77.3 123.2 9.0 27.1 18.6 104 178 A I E - 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