==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 27-DEC-07 2RNG . COMPND 2 MOLECULE: BIG DEFENSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TACHYPLEUS TRIDENTATUS; . AUTHOR T.KOUNO,N.FUJITANI,T.OSAKI,S.KAWABATA,S.NISHIMURA, . 79 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 47 59.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.3 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 . 7 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 20.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.5 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 N 0 0 211 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -58.4 12.6 9.3 -9.9 2 2 A P - 0 0 115 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.560 360.0-133.9 -74.1 126.4 10.7 8.9 -6.7 3 3 A L - 0 0 157 -2,-0.4 22,-0.0 1,-0.2 21,-0.0 0.166 57.5 -35.0 -64.0-166.5 12.5 6.6 -4.2 4 4 A I S S- 0 0 44 1,-0.1 -1,-0.2 20,-0.1 2,-0.0 -0.191 73.1-112.2 -52.7 146.5 10.6 3.9 -2.4 5 5 A P - 0 0 48 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 -0.288 14.4-124.6 -76.1 164.1 7.0 4.8 -1.4 6 6 A A S > S+ 0 0 49 1,-0.2 3,-1.0 2,-0.1 -2,-0.1 0.763 100.6 74.3 -82.6 -24.8 6.0 5.3 2.2 7 7 A I T 3 S+ 0 0 8 1,-0.3 -1,-0.2 58,-0.1 39,-0.1 0.963 88.5 57.7 -53.5 -54.8 3.1 2.8 2.0 8 8 A Y T > S+ 0 0 32 3,-0.1 3,-1.3 2,-0.1 -1,-0.3 0.822 92.3 90.1 -48.5 -26.8 5.5 -0.2 2.0 9 9 A I T < S- 0 0 82 -3,-1.0 25,-0.2 -4,-0.3 26,-0.2 -0.482 107.3 -1.1 -71.8 139.1 6.7 1.2 5.3 10 10 A G T 3 S+ 0 0 39 23,-2.0 -1,-0.3 24,-0.6 37,-0.2 0.892 120.2 109.6 49.1 35.9 4.7 -0.1 8.3 11 11 A A E < -a 35 0A 4 23,-1.4 25,-2.0 -3,-1.3 2,-0.2 -0.458 68.3-124.4-123.7-161.8 2.8 -2.1 5.6 12 12 A T E +a 36 0A 24 23,-0.2 25,-0.2 -2,-0.2 23,-0.1 -0.661 28.0 174.3-153.9 93.9 2.4 -5.7 4.5 13 13 A V E -a 37 0A 0 23,-1.1 25,-1.3 -2,-0.2 57,-0.1 -0.182 30.5-105.6 -88.8-172.0 3.0 -6.7 0.9 14 14 A G > - 0 0 0 55,-0.5 4,-1.7 23,-0.3 -1,-0.2 -0.204 39.9 -85.8-100.6-163.6 3.0 -10.3 -0.6 15 15 A P H > S+ 0 0 53 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.935 125.6 43.9 -72.8 -48.8 5.9 -12.5 -1.7 16 16 A S H > S+ 0 0 74 2,-0.2 4,-1.6 1,-0.2 55,-0.1 0.972 117.2 45.2 -62.8 -52.1 6.1 -11.2 -5.3 17 17 A V H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.944 110.3 56.4 -58.3 -45.9 5.9 -7.5 -4.2 18 18 A W H X S+ 0 0 72 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.975 105.3 48.8 -50.3 -63.9 8.4 -8.0 -1.4 19 19 A A H X S+ 0 0 58 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.866 110.3 56.4 -46.0 -36.1 11.1 -9.4 -3.7 20 20 A Y H X S+ 0 0 155 -4,-1.6 4,-1.9 -5,-0.2 3,-0.4 0.994 104.2 47.8 -62.2 -61.0 10.4 -6.3 -5.8 21 21 A L H X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 5,-0.3 0.865 108.1 60.1 -49.5 -34.6 11.0 -3.7 -3.1 22 22 A V H < S+ 0 0 42 -4,-2.1 -1,-0.2 -5,-0.3 3,-0.2 0.966 102.8 48.7 -60.4 -51.0 14.2 -5.6 -2.3 23 23 A A H < S+ 0 0 88 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.912 108.1 55.6 -56.8 -40.9 15.7 -5.1 -5.8 24 24 A L H < S- 0 0 102 -4,-1.9 -1,-0.2 2,-0.0 -2,-0.2 0.917 138.5 -14.4 -60.3 -40.5 14.8 -1.3 -5.6 25 25 A V S < S- 0 0 63 -4,-1.9 2,-0.3 -3,-0.2 -3,-0.2 0.451 98.0 -90.4-126.3 -88.8 16.8 -1.0 -2.4 26 26 A G > - 0 0 21 -5,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.952 36.9 -84.3 176.2 166.0 17.9 -4.1 -0.4 27 27 A A H > S+ 0 0 62 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.754 122.4 60.8 -60.9 -19.3 16.9 -6.4 2.4 28 28 A A H >> S+ 0 0 80 2,-0.2 4,-1.8 1,-0.2 3,-0.6 0.992 111.0 33.0 -72.7 -62.9 18.3 -3.8 4.9 29 29 A A H 3> S+ 0 0 46 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.781 118.1 59.6 -64.5 -21.0 16.1 -0.9 4.0 30 30 A V H 3<>S+ 0 0 1 -4,-2.0 5,-0.6 1,-0.2 -1,-0.2 0.852 112.2 36.4 -75.9 -32.4 13.3 -3.5 3.3 31 31 A T H <<5S+ 0 0 104 -4,-1.4 3,-0.4 -3,-0.6 -2,-0.2 0.643 117.3 53.1 -93.3 -15.0 13.5 -4.8 6.9 32 32 A A H <5S+ 0 0 84 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.748 99.1 61.7 -90.1 -24.7 14.1 -1.4 8.5 33 33 A A T <5S- 0 0 21 -4,-1.3 -23,-2.0 -5,-0.3 -22,-0.3 0.369 116.1-112.2 -82.2 9.3 11.1 0.3 6.8 34 34 A N T 5 + 0 0 93 -3,-0.4 -23,-1.4 -25,-0.2 -24,-0.6 0.996 53.5 169.7 59.3 72.6 8.9 -2.2 8.7 35 35 A I E < -a 11 0A 22 -5,-0.6 2,-0.3 -25,-0.2 -23,-0.2 -0.952 15.7-162.3-119.4 120.4 7.5 -4.3 5.8 36 36 A R E -a 12 0A 168 -25,-2.0 -23,-1.1 -2,-0.5 2,-0.3 -0.747 11.9-135.2-101.2 149.1 5.6 -7.5 6.5 37 37 A R E -a 13 0A 127 -2,-0.3 -23,-0.3 -25,-0.2 2,-0.2 -0.717 18.6-160.0-100.2 152.3 5.0 -10.3 3.9 38 38 A A - 0 0 27 -25,-1.3 5,-0.1 -2,-0.3 4,-0.0 -0.766 41.3 -88.5-124.8 172.5 1.6 -12.0 3.4 39 39 A S S S- 0 0 107 -2,-0.2 2,-0.3 3,-0.1 4,-0.1 0.817 104.6 -32.2 -50.9 -27.3 0.4 -15.3 1.9 40 40 A S S S- 0 0 59 2,-0.4 -2,-0.1 -27,-0.1 -1,-0.1 -0.964 88.8 -57.1-172.1-173.5 0.2 -13.3 -1.4 41 41 A D S S+ 0 0 22 -2,-0.3 2,-0.9 -27,-0.1 -27,-0.1 0.785 114.5 81.9 -55.1 -22.8 -0.4 -9.9 -3.0 42 42 A N + 0 0 61 -29,-0.1 -2,-0.4 -4,-0.0 2,-0.2 -0.727 65.2 125.3 -87.8 107.7 -3.8 -10.1 -1.3 43 43 A H - 0 0 4 -2,-0.9 9,-0.5 -4,-0.1 2,-0.3 -0.850 60.3 -82.1-147.3-176.0 -3.4 -9.0 2.4 44 44 A S E +B 51 0B 22 -2,-0.2 7,-0.3 7,-0.2 2,-0.2 -0.692 45.5 174.9 -95.2 148.7 -4.6 -6.5 5.0 45 45 A a E >> +B 50 0B 5 5,-1.2 5,-1.7 -2,-0.3 4,-0.9 -0.790 52.5 47.0-139.9-176.1 -3.4 -2.9 5.1 46 46 A A T 45S- 0 0 19 -2,-0.2 3,-0.4 3,-0.2 -1,-0.2 0.913 122.0 -70.8 45.8 43.2 -4.0 0.4 6.9 47 47 A G T >45S- 0 0 56 -37,-0.2 2,-1.0 1,-0.2 3,-0.7 -0.339 98.1 -29.3 71.3-157.7 -3.9 -1.7 10.1 48 48 A N T 345S+ 0 0 163 1,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 -0.146 126.3 81.7 -84.5 44.4 -6.9 -4.0 10.7 49 49 A R T 3<5S+ 0 0 187 -2,-1.0 29,-0.3 -4,-0.9 2,-0.3 0.691 87.4 38.3-117.3 -34.4 -9.2 -1.6 8.7 50 50 A G E < < -B 45 0B 1 -5,-1.7 -5,-1.2 -3,-0.7 2,-0.3 -0.780 60.5-166.5-118.0 165.2 -8.6 -2.4 5.0 51 51 A W E -BC 44 76B 119 25,-1.8 25,-1.6 -7,-0.3 2,-0.5 -0.884 24.0-110.0-140.3 171.4 -8.1 -5.6 3.1 52 52 A b E + C 0 75B 0 -9,-0.5 2,-0.3 23,-0.3 23,-0.3 -0.914 40.3 158.2-114.0 123.4 -6.9 -6.6 -0.4 53 53 A R E - C 0 74B 70 21,-2.3 21,-1.9 -2,-0.5 -10,-0.0 -0.949 56.1-104.2-135.1 156.6 -9.3 -8.0 -3.0 54 54 A S S S- 0 0 84 -2,-0.3 2,-0.3 19,-0.2 -1,-0.1 0.914 107.4 -6.1 -46.6 -41.4 -9.2 -8.2 -6.8 55 55 A K S S- 0 0 148 18,-0.1 2,-0.3 -3,-0.1 21,-0.2 -0.852 77.3-118.6-142.6 178.3 -11.8 -5.4 -6.7 56 56 A c - 0 0 16 -2,-0.3 6,-0.1 4,-0.1 19,-0.0 -0.807 27.5-104.4-122.1 165.7 -13.8 -3.5 -4.0 57 57 A F > - 0 0 129 -2,-0.3 3,-0.6 4,-0.2 -1,-0.1 -0.234 33.5-108.3 -79.9 175.4 -17.5 -3.2 -3.4 58 58 A R T 3 S+ 0 0 250 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.904 118.7 55.2 -73.5 -39.5 -19.5 0.0 -4.2 59 59 A H T 3 S+ 0 0 190 2,-0.0 20,-0.4 19,-0.0 -1,-0.2 0.563 115.0 48.4 -70.7 -2.7 -20.0 1.0 -0.5 60 60 A E < - 0 0 55 -3,-0.6 2,-0.2 18,-0.1 18,-0.2 -0.633 69.4-160.0-124.4-174.7 -16.2 0.8 -0.3 61 61 A Y E -D 77 0B 77 16,-1.7 16,-1.2 -2,-0.2 2,-0.5 -0.697 30.9 -86.0-146.7-159.7 -13.2 2.1 -2.3 62 62 A V E -D 76 0B 43 14,-0.3 2,-1.3 -2,-0.2 14,-0.3 -0.899 33.3-129.2-125.4 104.8 -9.4 1.5 -2.8 63 63 A D >> - 0 0 6 12,-1.5 4,-2.1 -2,-0.5 3,-0.9 -0.233 19.6-157.9 -51.7 89.2 -7.0 3.2 -0.4 64 64 A T T 34 S+ 0 0 130 -2,-1.3 4,-0.3 1,-0.3 -1,-0.2 0.782 89.3 60.2 -44.1 -25.0 -4.9 4.7 -3.2 65 65 A Y T >4 S+ 0 0 136 1,-0.2 3,-0.6 2,-0.1 4,-0.3 0.949 113.7 30.2 -72.3 -48.5 -2.2 4.9 -0.4 66 66 A Y T <> S+ 0 0 57 -3,-0.9 4,-1.8 1,-0.2 -2,-0.2 0.554 89.9 99.0 -89.3 -4.7 -2.0 1.1 0.3 67 67 A S H 3X S+ 0 0 34 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.814 83.4 58.1 -51.1 -23.1 -3.0 0.1 -3.3 68 68 A A H <4 S+ 0 0 25 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.994 99.0 49.5 -72.0 -66.1 0.8 -0.4 -3.5 69 69 A V H 4 S+ 0 0 0 -4,-0.3 -55,-0.5 1,-0.2 -1,-0.2 0.847 111.5 57.4 -44.1 -30.8 1.5 -2.9 -0.8 70 70 A b H < S- 0 0 0 -4,-1.8 2,-0.5 1,-0.2 3,-0.4 0.998 84.9-177.4 -65.5 -63.8 -1.4 -4.8 -2.4 71 71 A G < + 0 0 28 -4,-1.8 -1,-0.2 2,-0.3 4,-0.1 -0.851 66.8 10.6 103.0-132.6 0.1 -5.1 -5.9 72 72 A R S S+ 0 0 196 -2,-0.5 -1,-0.2 2,-0.1 -2,-0.1 0.872 130.7 57.8 -51.9 -34.5 -2.0 -6.8 -8.7 73 73 A Y S S- 0 0 93 -3,-0.4 2,-0.4 -5,-0.1 -2,-0.3 -0.168 89.4-118.0 -85.3-174.0 -4.9 -6.6 -6.2 74 74 A F E -C 53 0B 89 -21,-1.9 -21,-2.3 -4,-0.2 2,-1.3 -0.983 11.7-132.2-130.7 128.6 -6.4 -3.5 -4.6 75 75 A a E -C 52 0B 0 -2,-0.4 -12,-1.5 -23,-0.3 -23,-0.3 -0.613 32.8-162.7 -79.0 99.4 -6.5 -2.8 -0.8 76 76 A c E -CD 51 62B 1 -25,-1.6 -25,-1.8 -2,-1.3 2,-0.3 -0.397 10.5-178.4 -79.6 161.0 -10.1 -1.7 -0.4 77 77 A R E - D 0 61B 51 -16,-1.2 -16,-1.7 -27,-0.2 2,-0.7 -0.949 31.1-101.0-151.0 170.9 -11.2 0.2 2.7 78 78 A S 0 0 65 -29,-0.3 -18,-0.1 -2,-0.3 -19,-0.0 -0.863 360.0 360.0-103.4 117.0 -14.3 1.7 4.3 79 79 A R 0 0 280 -2,-0.7 -2,-0.0 -20,-0.4 0, 0.0 -0.636 360.0 360.0 -79.4 360.0 -14.7 5.5 4.0