==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 26-AUG-09 2KNJ . COMPND 2 MOLECULE: MICROPLUSIN PREPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIPICEPHALUS MICROPLUS; . AUTHOR J.R.PIRES,C.A.REZENDE,F.D.SILVA,S.DAFFRE . 90 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5808.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 4 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 48.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.2 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 1 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 H 0 0 180 0, 0.0 52,-0.0 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -77.5 -8.3 1.6 18.7 2 2 A H + 0 0 150 51,-0.0 2,-1.0 0, 0.0 3,-0.5 -0.290 360.0 50.7 170.2 -70.6 -11.4 2.0 16.5 3 3 A Q S S+ 0 0 123 1,-0.2 4,-0.0 2,-0.1 50,-0.0 -0.177 91.8 89.8 -81.9 43.6 -11.6 5.5 15.0 4 4 A E + 0 0 112 -2,-1.0 2,-1.6 2,-0.1 -1,-0.2 -0.022 39.0 122.3-131.4 25.1 -8.0 4.9 13.9 5 5 A L S S- 0 0 84 -3,-0.5 48,-0.2 1,-0.3 47,-0.1 -0.366 111.4 -46.5 -86.0 56.4 -8.6 3.3 10.5 6 6 A a > - 0 0 8 -2,-1.6 3,-1.0 46,-0.4 -1,-0.3 0.961 68.6-160.0 68.3 82.3 -6.6 6.1 9.0 7 7 A T T 3 S+ 0 0 103 1,-0.3 3,-0.1 -3,-0.2 -1,-0.1 0.480 79.7 85.4 -77.4 -1.1 -8.1 9.0 10.8 8 8 A K T 3> S- 0 0 93 1,-0.2 4,-1.8 -4,-0.1 -1,-0.3 0.281 102.4-128.2 -78.7 11.0 -6.8 11.4 8.1 9 9 A G H <> - 0 0 26 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.167 27.4 -65.4 73.7 174.3 -10.0 10.3 6.5 10 10 A D H > S+ 0 0 102 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.774 130.2 65.8 -66.7 -25.4 -10.8 8.9 3.1 11 11 A D H > S+ 0 0 135 2,-0.2 4,-1.4 1,-0.2 3,-0.2 0.963 108.0 33.8 -63.7 -54.6 -9.7 12.2 1.7 12 12 A A H X S+ 0 0 27 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.775 114.8 60.1 -74.3 -24.2 -6.0 11.9 2.8 13 13 A L H X S+ 0 0 14 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.825 105.3 49.4 -66.2 -31.9 -6.3 8.2 2.1 14 14 A V H X S+ 0 0 67 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.794 107.2 53.8 -74.8 -32.1 -7.1 9.3 -1.4 15 15 A T H X S+ 0 0 80 -4,-1.4 4,-1.5 2,-0.2 3,-0.2 0.971 113.5 41.5 -60.7 -52.2 -4.1 11.6 -1.4 16 16 A E H < S+ 0 0 24 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.842 106.6 67.2 -60.9 -33.0 -2.1 8.5 -0.4 17 17 A L H >X S+ 0 0 33 -4,-1.6 4,-1.9 1,-0.2 3,-1.2 0.943 105.3 39.8 -50.0 -53.0 -4.2 6.7 -3.0 18 18 A E H 3X S+ 0 0 97 -4,-2.0 4,-0.6 1,-0.3 -1,-0.2 0.786 113.0 56.3 -69.0 -26.4 -2.6 8.7 -5.8 19 19 A b H 3< S+ 0 0 11 -4,-1.5 -1,-0.3 58,-0.2 61,-0.3 0.404 110.4 45.5 -87.0 -2.2 0.7 8.3 -3.9 20 20 A I H X4 S+ 0 0 15 -3,-1.2 3,-0.6 -4,-0.4 -2,-0.2 0.630 109.9 54.2 -97.3 -31.8 0.2 4.6 -4.1 21 21 A R H 3< S+ 0 0 166 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.560 79.7 91.2 -80.9 -9.2 -0.8 4.8 -7.8 22 22 A L T 3< S- 0 0 63 -4,-0.6 -1,-0.2 1,-0.2 -3,-0.1 0.323 105.7-115.6 -69.5 12.3 2.4 6.6 -8.7 23 23 A R < - 0 0 190 -3,-0.6 6,-0.3 5,-0.0 -1,-0.2 0.249 43.2-145.3 67.4 -11.9 3.8 3.0 -9.3 24 24 A I - 0 0 15 52,-0.1 -4,-0.1 1,-0.1 3,-0.0 -0.315 11.4-110.6 58.8-128.7 6.1 3.9 -6.4 25 25 A S S S+ 0 0 65 57,-0.1 -1,-0.1 -2,-0.1 4,-0.1 0.236 81.7 76.9-165.1 -52.8 9.5 2.4 -6.8 26 26 A P S > S- 0 0 15 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.361 111.3 -62.8 -50.6-165.6 10.2 -0.5 -4.2 27 27 A E T 3> S+ 0 0 89 1,-0.2 4,-3.1 2,-0.1 5,-0.3 0.433 99.6 122.9 -64.5 0.2 8.9 -4.0 -4.4 28 28 A T H 3>> + 0 0 5 1,-0.2 4,-1.7 3,-0.2 5,-0.5 0.786 69.3 45.3 -29.7 -50.4 5.6 -2.2 -4.1 29 29 A N H <>5S+ 0 0 84 -3,-0.8 4,-1.9 -6,-0.3 -1,-0.2 0.989 120.8 35.3 -70.5 -57.3 4.2 -3.7 -7.3 30 30 A A H >5S+ 0 0 42 -4,-0.2 4,-2.1 2,-0.2 5,-0.3 0.962 124.4 44.0 -57.0 -53.9 5.2 -7.3 -6.8 31 31 A A H X5S+ 0 0 0 -4,-3.1 4,-1.5 1,-0.2 -3,-0.2 0.961 120.3 35.3 -61.0 -65.3 4.6 -7.3 -3.1 32 32 A F H X5S+ 0 0 2 -4,-1.7 4,-3.8 -5,-0.3 5,-0.5 0.838 111.2 65.6 -61.0 -28.7 1.3 -5.4 -2.8 33 33 A D H <X S+ 0 0 0 -4,-1.5 4,-1.7 -5,-0.3 3,-0.6 0.976 112.6 34.8 -73.6 -61.4 -0.8 -8.9 -1.2 36 36 A V H 3X>S+ 0 0 3 -4,-3.8 6,-1.1 1,-0.3 5,-0.8 0.549 110.6 69.2 -73.1 -6.1 -3.9 -7.1 -2.2 37 37 A Q H 345S+ 0 0 118 -5,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.901 99.1 48.0 -64.6 -49.6 -4.3 -10.2 -4.3 38 38 A Q H <<5S+ 0 0 76 -4,-1.3 -2,-0.2 -3,-0.6 -3,-0.1 0.976 120.1 35.2 -50.1 -62.6 -4.9 -12.0 -1.0 39 39 A L H <5S- 0 0 34 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.779 100.0-149.3 -66.1 -26.7 -7.4 -9.4 0.2 40 40 A N T <5 + 0 0 128 -4,-0.8 -3,-0.2 -5,-0.3 -4,-0.1 0.809 51.9 138.4 58.1 35.2 -8.4 -9.2 -3.4 41 41 A c < - 0 0 38 -5,-0.8 2,-3.0 1,-0.2 -4,-0.1 0.659 48.4-154.3 -72.3 -18.4 -9.4 -5.6 -3.0 42 42 A L S S+ 0 0 125 -6,-1.1 2,-0.4 -9,-0.1 -1,-0.2 -0.323 73.9 87.0 67.8 -55.2 -7.8 -5.0 -6.4 43 43 A N S >> S- 0 0 70 -2,-3.0 4,-1.0 1,-0.1 3,-0.8 -0.606 75.1-149.5 -73.1 124.1 -7.3 -1.5 -5.1 44 44 A R H 3> S+ 0 0 91 -2,-0.4 4,-2.9 1,-0.3 5,-0.2 0.641 93.1 67.2 -74.5 -15.1 -4.0 -1.3 -3.2 45 45 A A H 3> S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.832 95.9 55.3 -73.6 -32.1 -5.4 1.4 -1.0 46 46 A c H <> S+ 0 0 50 -3,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.925 111.7 46.4 -59.7 -44.4 -7.8 -1.1 0.5 47 47 A A H X S+ 0 0 0 -4,-1.0 4,-1.9 2,-0.2 10,-0.7 0.981 115.6 42.0 -58.0 -63.8 -4.8 -3.1 1.3 48 48 A Y H X S+ 0 0 25 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.887 117.2 48.2 -55.4 -44.0 -2.7 -0.3 2.7 49 49 A R H X S+ 0 0 64 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.763 107.1 55.4 -74.1 -23.9 -5.6 1.2 4.7 50 50 A K H X S+ 0 0 92 -4,-1.6 4,-3.7 -3,-0.5 5,-0.5 0.838 108.1 48.3 -80.2 -30.2 -6.6 -2.2 6.1 51 51 A M H X S+ 0 0 58 -4,-1.9 4,-0.9 3,-0.3 -2,-0.2 0.908 110.2 52.9 -64.6 -42.3 -3.1 -2.6 7.5 52 52 A a H < S+ 0 0 48 -4,-2.0 -46,-0.4 -5,-0.2 -2,-0.2 0.804 116.4 41.3 -58.0 -31.4 -3.7 0.9 8.8 53 53 A A H < S- 0 0 27 -4,-1.2 -2,-0.2 -48,-0.2 -3,-0.2 0.961 148.5 -41.4 -80.6 -62.1 -6.8 -0.4 10.3 54 54 A T H < S- 0 0 99 -4,-3.7 -3,-0.3 1,-0.2 -2,-0.2 -0.005 93.9 -81.6-166.1 38.9 -5.8 -3.8 11.6 55 55 A N < + 0 0 86 -4,-0.9 -1,-0.2 -5,-0.5 -4,-0.1 0.218 60.5 146.2 70.5 164.3 -3.4 -5.4 9.0 56 56 A N S > S+ 0 0 37 -3,-0.1 3,-0.8 -8,-0.0 -8,-0.1 -0.236 71.4 43.0 171.5 -70.7 -4.5 -7.3 5.9 57 57 A L T 3> S+ 0 0 0 -10,-0.7 4,-1.3 1,-0.2 3,-0.4 0.742 90.6 86.3 -77.0 -23.4 -2.2 -6.9 2.9 58 58 A E H 3> S+ 0 0 52 -11,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.640 72.5 78.5 -59.5 -14.6 1.0 -7.2 4.9 59 59 A Q H <> S+ 0 0 105 -3,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.986 108.3 17.0 -57.3 -69.4 0.9 -11.0 4.6 60 60 A A H >> S+ 0 0 13 -3,-0.4 4,-2.3 2,-0.2 3,-0.5 0.936 125.1 55.5 -75.6 -50.4 2.2 -11.5 1.0 61 61 A M H 3X S+ 0 0 3 -4,-1.3 4,-3.1 1,-0.2 -1,-0.2 0.910 110.3 47.0 -45.7 -47.0 3.8 -8.1 0.5 62 62 A S H 3< S+ 0 0 64 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.738 107.9 56.9 -73.9 -23.1 5.9 -8.7 3.7 63 63 A V H << S+ 0 0 115 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.893 116.7 36.3 -64.7 -41.0 6.8 -12.1 2.5 64 64 A Y H < S+ 0 0 139 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.975 121.0 39.2 -77.6 -60.4 8.2 -10.5 -0.7 65 65 A F S < S- 0 0 5 -4,-3.1 2,-0.2 -5,-0.2 3,-0.0 -0.430 82.2-119.1 -89.7 165.3 9.7 -7.3 0.6 66 66 A T > - 0 0 68 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.476 31.5-100.5 -95.0 172.5 11.7 -6.8 3.8 67 67 A N H > S+ 0 0 123 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.918 127.4 47.9 -58.6 -43.0 10.9 -4.5 6.7 68 68 A E H > S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.894 108.7 55.3 -63.1 -39.9 13.4 -2.0 5.4 69 69 A Q H > S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 109.4 45.5 -59.3 -42.6 11.9 -2.3 1.9 70 70 A I H X S+ 0 0 29 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.610 102.6 64.6 -84.6 -10.4 8.4 -1.4 3.3 71 71 A K H X S+ 0 0 74 -4,-1.0 4,-2.1 -3,-0.3 5,-0.3 0.943 106.6 45.8 -62.9 -48.5 10.0 1.4 5.2 72 72 A E H X S+ 0 0 34 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.963 114.8 44.0 -55.5 -57.9 10.7 2.8 1.8 73 73 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.682 107.8 64.5 -66.5 -17.4 7.3 2.0 0.4 74 74 A H H X S+ 0 0 89 -4,-0.9 4,-1.9 12,-0.2 5,-0.3 0.989 114.4 27.5 -63.7 -61.5 5.9 3.5 3.6 75 75 A D H X S+ 0 0 12 -4,-2.1 4,-1.7 11,-0.4 6,-0.9 0.758 121.4 61.0 -74.5 -22.0 7.2 7.0 3.0 76 76 A A H X S+ 0 0 0 -4,-2.6 4,-0.7 -5,-0.3 5,-0.4 0.951 112.0 33.5 -62.9 -52.4 6.9 6.1 -0.7 77 77 A A H < S+ 0 0 2 -4,-2.6 -58,-0.2 3,-0.2 -2,-0.2 0.722 126.6 40.6 -86.3 -20.6 3.2 5.5 -0.7 78 78 A T H < S+ 0 0 68 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.861 131.0 26.2 -90.1 -42.6 2.3 8.1 2.0 79 79 A A H < S- 0 0 48 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.2 0.472 103.0-123.6 -95.3 -4.0 4.7 10.9 0.8 80 80 A b S < S+ 0 0 59 -4,-0.7 -4,-0.2 -61,-0.3 -3,-0.2 0.918 78.4 122.8 55.5 48.0 4.7 9.6 -2.8 81 81 A D > + 0 0 39 -6,-0.9 4,-0.6 -5,-0.4 -4,-0.1 -0.698 21.9 152.5-145.1 77.1 8.4 9.5 -2.2 82 82 A P T 4 S+ 0 0 13 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 0.421 79.5 32.8 -95.6 -0.2 9.9 6.0 -2.8 83 83 A E T 4 S+ 0 0 153 -7,-0.1 3,-0.1 -58,-0.1 -2,-0.1 0.661 107.0 61.6-125.3 -37.7 13.4 7.1 -3.8 84 84 A A T 4 S+ 0 0 59 1,-0.2 2,-0.4 2,-0.1 3,-0.1 0.943 115.7 12.2 -63.2 -49.6 14.2 10.2 -1.9 85 85 A H < - 0 0 83 -4,-0.6 3,-0.2 -13,-0.1 -1,-0.2 -0.973 46.3-156.1-134.3 141.5 14.0 8.7 1.6 86 86 A H S S+ 0 0 110 1,-0.4 -11,-0.4 -2,-0.4 2,-0.3 0.771 103.7 9.3 -76.7 -32.5 13.8 5.2 3.0 87 87 A E - 0 0 109 1,-0.1 -1,-0.4 -12,-0.1 3,-0.2 -0.915 56.9-179.6-147.6 120.1 12.2 7.0 5.9 88 88 A H + 0 0 84 -2,-0.3 2,-3.1 -3,-0.2 -1,-0.1 0.889 27.5 161.7 -79.4 -45.6 11.1 10.6 6.0 89 89 A D 0 0 125 1,-0.1 -1,-0.2 0, 0.0 0, 0.0 -0.271 360.0 360.0 68.6 -63.0 10.0 10.1 9.6 90 90 A H 0 0 191 -2,-3.1 -1,-0.1 -3,-0.2 -3,-0.0 -0.676 360.0 360.0-119.7 360.0 9.9 13.8 10.6