==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD COAGULATION INHIBITOR 31-OCT-94 1TCP . COMPND 2 MOLECULE: TICK ANTICOAGULANT PEPTIDE; . SOURCE 2 ORGANISM_SCIENTIFIC: ORNITHODOROS MOUBATA; . AUTHOR T.K.BRUNCK,M.S.L.LIM-WILBY . 60 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4155.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 36 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 10.0 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 . 1 1.7 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 . 11 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.7 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 Y 0 0 179 0, 0.0 58,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 173.2 -0.8 11.5 2.6 2 2 A N - 0 0 78 56,-2.6 3,-0.1 1,-0.1 4,-0.1 -0.373 360.0-149.2 -71.8 134.7 -2.1 8.0 1.4 3 3 A R S > S+ 0 0 235 1,-0.2 3,-0.8 2,-0.1 4,-0.4 0.821 89.5 54.6 -75.4 -33.8 -3.1 5.4 4.2 4 4 A L G > S+ 0 0 81 1,-0.2 3,-0.7 2,-0.1 -1,-0.2 0.837 93.4 71.0 -72.4 -29.4 -2.2 2.0 2.4 5 5 A a G 3 S+ 0 0 0 1,-0.2 22,-2.2 -3,-0.1 -1,-0.2 0.418 87.1 66.7 -70.6 6.7 1.5 3.0 1.5 6 6 A I G < S- 0 0 51 -3,-0.8 -1,-0.2 20,-0.2 -2,-0.1 0.850 89.5-154.7 -88.8 -40.5 2.6 2.7 5.3 7 7 A K < - 0 0 55 -3,-0.7 -2,-0.1 -4,-0.4 -3,-0.0 0.729 6.7-116.2 75.7 125.8 2.0 -1.2 5.7 8 8 A P - 0 0 80 0, 0.0 3,-0.2 0, 0.0 0, 0.0 -0.060 16.9-118.4 -82.3-174.9 1.2 -3.1 9.1 9 9 A R S S+ 0 0 173 1,-0.2 2,-1.6 2,-0.0 3,-0.4 0.912 97.1 57.0 -90.1 -55.3 3.3 -5.8 11.0 10 10 A D S S+ 0 0 158 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 -0.525 81.4 91.2 -85.8 77.7 1.1 -9.1 11.1 11 11 A W S S- 0 0 25 -2,-1.6 -1,-0.2 -3,-0.2 -2,-0.0 0.398 100.2 -85.7-148.2 3.9 0.5 -9.7 7.3 12 12 A I - 0 0 83 -3,-0.4 3,-0.2 2,-0.0 -2,-0.1 0.891 53.2-179.2 73.2 91.7 3.3 -12.0 5.7 13 13 A D + 0 0 23 1,-0.2 24,-0.6 -4,-0.1 2,-0.2 0.712 57.1 37.6 -97.2 -27.0 6.1 -9.5 4.7 14 14 A E B +a 37 0A 132 22,-0.2 24,-0.2 24,-0.2 -1,-0.2 -0.608 49.2 139.0-142.8 77.7 9.1 -11.4 3.0 15 15 A b - 0 0 8 22,-3.2 4,-0.5 5,-0.2 6,-0.2 0.871 46.2-158.2 -81.7 -41.3 8.4 -14.3 0.5 16 16 A D > - 0 0 81 4,-0.3 4,-2.5 21,-0.2 3,-0.2 -0.011 35.2 -54.3 79.4 171.5 11.1 -13.3 -2.1 17 17 A S H > S+ 0 0 81 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.897 129.7 41.3 -54.0 -55.5 11.5 -14.2 -5.9 18 18 A N H 4 S+ 0 0 169 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.819 121.9 40.6 -67.2 -33.6 11.4 -18.2 -6.0 19 19 A E H 4 S- 0 0 151 -4,-0.5 -2,-0.2 -3,-0.2 -1,-0.2 0.912 140.8 -38.1 -80.6 -47.4 8.5 -18.5 -3.3 20 20 A G H < - 0 0 8 -4,-2.5 2,-1.7 19,-0.1 19,-0.7 -0.225 57.9-157.6 179.0 84.1 6.2 -15.5 -4.5 21 21 A G < + 0 0 47 -4,-0.8 2,-0.9 -6,-0.2 -4,-0.1 -0.394 29.4 151.4 -86.7 72.6 7.7 -12.2 -5.7 22 22 A E - 0 0 29 -2,-1.7 16,-2.3 -6,-0.1 2,-0.9 -0.807 33.6-154.5 -89.9 100.1 5.2 -9.4 -5.4 23 23 A R E +B 37 0A 94 -2,-0.9 2,-0.5 14,-0.2 14,-0.2 -0.650 18.0 178.9 -82.7 103.6 7.5 -6.3 -4.9 24 24 A A E -B 36 0A 0 12,-2.9 12,-3.0 -2,-0.9 2,-0.4 -0.913 19.8-141.4-114.0 120.1 5.5 -3.7 -2.9 25 25 A Y E +B 35 0A 38 24,-2.9 2,-0.3 -2,-0.5 10,-0.2 -0.676 25.5 174.8 -89.8 126.4 7.2 -0.3 -2.0 26 26 A F E -B 34 0A 1 8,-2.1 8,-2.9 -2,-0.4 2,-0.2 -0.973 31.7-103.6-136.2 143.7 6.3 1.1 1.5 27 27 A R E -B 33 0A 61 -22,-2.2 6,-0.2 -2,-0.3 3,-0.0 -0.433 16.5-166.2 -70.9 130.3 7.5 4.2 3.6 28 28 A N - 0 0 69 4,-2.3 -1,-0.1 -2,-0.2 5,-0.1 0.978 58.4 -88.3 -71.0 -57.1 10.0 3.8 6.6 29 29 A G S S+ 0 0 34 3,-0.3 3,-0.2 0, 0.0 -2,-0.0 -0.189 104.3 35.6-173.0 -84.8 9.5 7.4 7.9 30 30 A K S S- 0 0 183 1,-0.2 2,-0.0 -3,-0.0 -3,-0.0 0.859 128.3 -32.8 -60.0 -44.8 11.4 10.6 6.9 31 31 A G S S+ 0 0 32 1,-0.1 -1,-0.2 29,-0.0 2,-0.2 -0.314 96.8 95.8 175.0 87.0 12.0 9.9 3.1 32 32 A G - 0 0 8 -3,-0.2 -4,-2.3 23,-0.1 2,-0.6 -0.562 46.8-147.6 172.4 116.8 12.5 6.3 1.7 33 33 A c E - B 0 27A 9 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.845 18.5-158.0 -97.5 121.3 10.3 3.6 0.1 34 34 A D E - B 0 26A 77 -8,-2.9 -8,-2.1 -2,-0.6 2,-0.9 -0.826 17.3-126.0-101.6 132.3 11.4 -0.1 0.9 35 35 A S E - B 0 25A 35 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.3 -0.639 25.7-167.6 -81.8 103.6 10.3 -3.0 -1.4 36 36 A F E - B 0 24A 58 -12,-3.0 -12,-2.9 -2,-0.9 2,-0.8 -0.736 18.1-136.6 -90.6 136.0 8.6 -5.8 0.7 37 37 A W E -aB 14 23A 72 -24,-0.6 -22,-3.2 -2,-0.4 -14,-0.2 -0.798 26.9-175.6 -98.1 102.6 8.1 -9.2 -1.1 38 38 A I - 0 0 0 -16,-2.3 -24,-0.2 -2,-0.8 -1,-0.2 0.923 27.8-115.1 -72.8 -55.9 4.4 -10.2 -0.2 39 39 A b >> - 0 0 17 -19,-0.7 3,-0.7 -26,-0.1 4,-0.6 0.119 31.3-104.0 106.7 126.8 3.3 -13.7 -1.5 40 40 A P T 34 S+ 0 0 91 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.848 111.2 57.6 -49.5 -45.4 0.3 -13.8 -4.2 41 41 A E T 34 S+ 0 0 136 1,-0.2 3,-0.4 2,-0.1 -2,-0.1 0.744 100.1 53.9 -65.8 -28.8 -2.6 -14.9 -1.8 42 42 A D T <4 S+ 0 0 59 -3,-0.7 -1,-0.2 1,-0.2 -30,-0.0 0.832 100.8 53.5 -78.1 -36.2 -2.5 -12.1 0.9 43 43 A H S < S- 0 0 21 -4,-0.6 4,-0.3 -3,-0.3 -1,-0.2 0.286 89.3-140.9 -90.5 8.6 -2.8 -8.8 -1.2 44 44 A T > - 0 0 108 -3,-0.4 2,-1.7 -4,-0.2 3,-0.5 0.126 54.3 -42.2 53.9-176.0 -6.1 -9.4 -3.4 45 45 A G T 3 S+ 0 0 83 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 -0.569 117.4 83.6 -79.0 79.4 -6.3 -8.2 -7.1 46 46 A A T 3 S- 0 0 65 -2,-1.7 -1,-0.2 -3,-0.1 3,-0.2 0.549 77.7-133.7-145.1 -52.8 -4.6 -4.8 -6.5 47 47 A D < - 0 0 70 -3,-0.5 2,-1.8 -4,-0.3 3,-0.3 0.855 26.7-123.5 71.7 100.3 -0.7 -4.6 -6.5 48 48 A Y - 0 0 49 1,-0.2 -23,-0.2 2,-0.1 -1,-0.1 -0.474 68.2 -51.1 -84.6 79.1 0.3 -2.5 -3.4 49 49 A Y - 0 0 58 -2,-1.8 -24,-2.9 -25,-0.2 2,-0.8 0.991 63.1-167.3 60.9 69.3 2.5 0.4 -4.9 50 50 A S + 0 0 56 -3,-0.3 2,-0.3 -26,-0.2 -1,-0.1 -0.140 59.7 57.1 -88.8 47.6 5.1 -1.6 -7.1 51 51 A S S > S- 0 0 32 -2,-0.8 4,-1.9 -26,-0.1 5,-0.2 -0.955 76.5-125.6-158.7 155.0 7.6 1.3 -7.8 52 52 A Y H > S+ 0 0 104 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.921 113.4 53.2 -61.6 -42.7 9.8 3.9 -5.8 53 53 A R H > S+ 0 0 152 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.915 109.9 46.6 -59.4 -46.2 8.1 6.8 -7.8 54 54 A D H > S+ 0 0 93 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.962 118.7 40.5 -61.7 -52.9 4.4 5.6 -6.9 55 55 A c H X>S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.8 0.905 115.5 50.2 -61.2 -45.6 5.2 5.1 -3.1 56 56 A F H <5S+ 0 0 58 -4,-2.7 4,-0.4 -5,-0.2 -2,-0.2 0.905 115.8 43.1 -64.8 -40.0 7.4 8.3 -2.7 57 57 A N H <5S+ 0 0 102 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.929 119.1 44.4 -63.1 -47.9 4.6 10.5 -4.4 58 58 A A H <5S+ 0 0 14 -4,-2.4 -56,-2.6 -5,-0.2 -2,-0.2 0.908 132.4 15.2 -69.0 -46.4 1.7 8.8 -2.4 59 59 A a T <5 0 0 2 -4,-2.8 -3,-0.2 -58,-0.2 -2,-0.1 0.867 360.0 360.0 -93.5 -48.8 3.3 8.7 1.2 60 60 A I < 0 0 87 -5,-0.8 -3,-0.2 -4,-0.4 -4,-0.1 0.959 360.0 360.0 -84.1 360.0 6.4 11.1 1.1