==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 04-NOV-08 2KAA . COMPND 2 MOLECULE: HIRSUTELLIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HIRSUTELLA THOMPSONII; . AUTHOR A.VIEGAS,A.L.MACEDO,M.BRUIX . 130 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 41.5 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 . 25 19.2 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 0.8 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 . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 10.0 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+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 0 0 0 0 1 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 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 . 1 0 3 1 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 . 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 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 A 0 0 120 0, 0.0 20,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.0 -15.0 11.9 2.0 2 2 A P + 0 0 81 0, 0.0 19,-2.7 0, 0.0 2,-0.5 0.608 360.0 100.4 -69.5 -19.0 -13.1 8.8 0.9 3 3 A I E +A 20 0A 89 17,-0.3 17,-0.2 18,-0.1 2,-0.2 -0.625 51.5 156.3 -71.2 123.2 -10.3 11.0 -0.5 4 4 A V E -A 19 0A 29 15,-2.7 15,-1.9 -2,-0.5 2,-0.3 -0.613 33.0-130.5-131.1-171.9 -7.4 11.1 1.9 5 5 A T E -A 18 0A 47 125,-2.3 125,-0.5 13,-0.2 13,-0.2 -0.890 18.8-124.6-150.6 127.5 -3.7 11.8 2.0 6 6 A a E -A 17 0A 0 11,-1.9 11,-1.7 -2,-0.3 123,-0.1 -0.089 19.5-128.6 -59.0 166.1 -0.7 9.9 3.5 7 7 A R + 0 0 125 121,-0.4 2,-0.1 9,-0.2 -1,-0.1 -0.474 48.2 156.8-112.5 57.0 1.6 11.6 6.0 8 8 A P - 0 0 2 0, 0.0 7,-2.7 0, 0.0 2,-0.5 -0.424 41.0-117.1 -78.9 164.9 5.0 10.7 4.3 9 9 A K B +B 14 0B 78 5,-0.2 107,-2.2 104,-0.2 5,-0.2 -0.858 29.7 174.2-108.9 125.4 8.2 12.7 4.8 10 10 A L S S- 0 0 52 3,-1.9 -1,-0.2 -2,-0.5 4,-0.1 0.897 80.3 -19.0 -85.2 -80.5 9.9 14.4 1.9 11 11 A D S S- 0 0 131 2,-0.3 3,-0.1 104,-0.1 104,-0.1 -0.317 124.3 -51.3-127.7 34.8 12.9 16.4 3.2 12 12 A G S S+ 0 0 59 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 -0.032 118.7 90.4 115.7 -28.1 12.0 16.7 6.9 13 13 A R S S- 0 0 173 1,-0.0 -3,-1.9 0, 0.0 2,-0.4 -0.788 79.4-116.8-101.2 142.6 8.4 18.0 6.5 14 14 A E B -B 9 0B 108 -2,-0.3 -5,-0.2 -5,-0.2 -7,-0.1 -0.626 33.4-166.0 -77.3 125.1 5.3 15.8 6.3 15 15 A K - 0 0 114 -7,-2.7 2,-0.3 -2,-0.4 -1,-0.0 -0.971 25.7-110.7-117.1 136.7 3.6 16.2 2.9 16 16 A P - 0 0 77 0, 0.0 2,-0.7 0, 0.0 -9,-0.2 -0.402 29.5-148.3 -65.9 116.4 0.0 14.9 2.0 17 17 A F E -A 6 0A 26 -11,-1.7 -11,-1.9 -2,-0.3 2,-0.1 -0.807 24.5-112.9 -90.6 114.1 0.3 12.0 -0.4 18 18 A K E +A 5 0A 92 -2,-0.7 2,-0.3 -13,-0.2 54,-0.3 -0.254 54.4 155.3 -44.8 112.1 -2.7 11.9 -2.9 19 19 A V E -A 4 0A 8 -15,-1.9 -15,-2.7 52,-0.2 2,-0.5 -0.950 27.3-159.3-150.8 114.7 -4.6 8.7 -2.0 20 20 A D E > -A 3 0A 40 -2,-0.3 4,-2.0 -17,-0.2 -17,-0.3 -0.831 16.3-143.5 -96.2 132.9 -8.3 8.0 -2.5 21 21 A V H > S+ 0 0 39 -19,-2.7 4,-2.8 -2,-0.5 5,-0.3 0.886 98.7 64.1 -56.4 -41.9 -10.0 5.2 -0.5 22 22 A A H > S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.954 108.4 37.5 -47.8 -62.0 -12.1 4.3 -3.6 23 23 A T H > S+ 0 0 33 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.878 113.1 61.2 -57.6 -40.3 -9.0 3.2 -5.6 24 24 A A H X S+ 0 0 2 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.937 110.9 36.7 -56.1 -54.7 -7.4 1.7 -2.4 25 25 A Q H X S+ 0 0 107 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.864 115.9 57.3 -66.3 -32.2 -10.3 -0.8 -1.8 26 26 A A H X S+ 0 0 48 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.2 0.945 109.7 42.4 -63.3 -48.7 -10.5 -1.3 -5.6 27 27 A Q H X S+ 0 0 8 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.896 115.9 49.7 -66.5 -37.9 -6.9 -2.3 -6.0 28 28 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.948 116.6 39.6 -67.9 -51.1 -7.0 -4.5 -2.8 29 29 A R H < S+ 0 0 185 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.886 116.2 53.1 -63.6 -40.8 -10.2 -6.3 -3.9 30 30 A K H < S+ 0 0 143 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.908 114.8 39.2 -61.4 -50.5 -9.0 -6.5 -7.5 31 31 A A H >< S- 0 0 6 -4,-2.7 3,-0.7 -5,-0.1 -1,-0.2 0.809 97.8-173.9 -67.9 -31.3 -5.7 -8.1 -6.6 32 32 A G T 3< - 0 0 17 -4,-2.0 -1,-0.1 -5,-0.2 -2,-0.1 -0.091 47.3 -59.4 61.8-167.5 -7.4 -10.3 -4.0 33 33 A L T 3 S+ 0 0 25 -4,-0.1 2,-0.4 67,-0.1 -1,-0.2 -0.237 108.5 94.3-101.4 38.9 -5.5 -12.5 -1.6 34 34 A T < + 0 0 102 -3,-0.7 2,-0.3 8,-0.0 6,-0.0 -0.948 43.2 159.4-140.9 118.6 -3.9 -14.6 -4.4 35 35 A T + 0 0 56 -2,-0.4 46,-0.1 1,-0.1 7,-0.0 -0.940 27.5 102.4-134.1 157.6 -0.5 -14.1 -6.1 36 36 A G + 0 0 60 4,-0.4 -1,-0.1 -2,-0.3 45,-0.0 0.029 58.5 91.5 162.2 -31.9 2.0 -16.2 -8.1 37 37 A K S S- 0 0 92 3,-0.2 44,-0.1 1,-0.1 46,-0.1 0.895 122.0 -22.3 -44.9 -47.7 1.6 -15.2 -11.8 38 38 A S S S- 0 0 33 42,-0.4 43,-0.1 2,-0.3 45,-0.1 0.636 104.5 -74.1-131.5 -65.0 4.3 -12.5 -11.3 39 39 A G S S+ 0 0 24 41,-0.4 42,-0.1 1,-0.4 44,-0.1 0.281 80.9 130.0 179.2 -25.1 4.8 -11.5 -7.6 40 40 A D + 0 0 0 40,-0.5 -4,-0.4 39,-0.1 -1,-0.4 -0.796 51.9 38.7-109.6 146.8 1.8 -9.2 -6.7 41 41 A P S S- 0 0 0 0, 0.0 2,-0.3 0, 0.0 26,-0.2 0.595 83.1-155.0 -65.5 180.0 -0.1 -9.1 -4.5 42 42 A H E -C 66 0C 44 24,-2.4 24,-2.2 -2,-0.2 2,-0.5 -0.945 18.8-106.9-127.6 151.4 2.2 -10.0 -1.6 43 43 A R E -C 65 0C 144 -2,-0.3 2,-0.4 22,-0.2 22,-0.3 -0.675 32.2-148.8 -77.7 121.7 1.7 -11.6 1.8 44 44 A Y E -C 64 0C 8 20,-1.2 20,-2.4 -2,-0.5 2,-0.4 -0.765 16.4-176.4 -90.6 133.3 2.0 -9.0 4.6 45 45 A F - 0 0 116 -2,-0.4 3,-0.3 18,-0.2 16,-0.1 -0.990 46.5 -78.8-128.2 139.3 3.3 -10.3 8.0 46 46 A A S S+ 0 0 47 14,-0.9 14,-0.1 -2,-0.4 5,-0.0 -0.056 91.1 108.7 -34.2 100.3 3.8 -8.3 11.3 47 47 A G + 0 0 48 3,-0.1 -1,-0.2 -2,-0.0 78,-0.0 0.445 62.0 60.2-154.5 -40.7 7.0 -6.5 10.5 48 48 A D S S- 0 0 32 -3,-0.3 -2,-0.1 1,-0.1 77,-0.0 0.305 103.8-119.8 -82.5 8.5 6.3 -2.8 9.8 49 49 A H + 0 0 182 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.849 61.6 155.7 55.2 34.0 4.9 -2.5 13.4 50 50 A I + 0 0 17 1,-0.1 -1,-0.2 7,-0.1 -3,-0.1 -0.690 29.4 173.1 -93.9 146.8 1.6 -1.4 12.0 51 51 A R > - 0 0 142 -2,-0.3 3,-1.8 -5,-0.0 7,-0.5 0.570 27.8-147.1-119.3 -28.1 -1.8 -1.9 13.7 52 52 A W T 3 - 0 0 26 1,-0.3 3,-0.1 5,-0.1 5,-0.1 0.681 59.0 -82.9 63.7 21.0 -4.1 0.0 11.3 53 53 A G T 3 S+ 0 0 63 1,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.747 105.1 116.3 52.2 28.2 -6.2 1.0 14.4 54 54 A V <> - 0 0 53 -3,-1.8 4,-2.2 1,-0.1 -1,-0.2 -0.962 66.7-142.5-127.8 145.6 -7.9 -2.5 14.0 55 55 A N H > S+ 0 0 132 -2,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.874 102.7 52.0 -71.3 -39.8 -7.9 -5.6 16.3 56 56 A N H 4 S+ 0 0 40 2,-0.2 3,-0.3 1,-0.2 -1,-0.2 0.946 118.0 35.3 -62.3 -54.2 -7.7 -8.0 13.4 57 57 A b H 4 S+ 0 0 6 -6,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.864 105.7 70.6 -69.0 -39.5 -4.7 -6.4 11.7 58 58 A D H < S+ 0 0 86 -4,-2.2 -1,-0.2 -7,-0.5 -2,-0.2 0.791 78.1 108.5 -43.1 -38.4 -3.1 -5.5 15.2 59 59 A K < - 0 0 108 -4,-1.1 3,-0.3 -3,-0.3 -13,-0.2 0.042 64.1-148.0 -40.4 148.7 -2.5 -9.3 15.6 60 60 A A S S+ 0 0 68 1,-0.2 2,-1.0 -15,-0.1 -14,-0.9 0.964 92.3 38.7 -89.3 -65.6 1.1 -10.4 15.3 61 61 A D S S+ 0 0 134 -16,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.042 96.0 125.2 -78.4 32.3 1.0 -13.9 13.8 62 62 A A - 0 0 9 -2,-1.0 2,-0.5 -3,-0.3 -16,-0.2 -0.214 65.0-113.2 -81.1-175.1 -1.9 -12.8 11.5 63 63 A I + 0 0 68 -18,-0.1 37,-3.0 -2,-0.1 38,-0.3 -0.902 43.9 159.5-128.9 99.2 -2.2 -13.0 7.7 64 64 A L E -CD 44 99C 7 -20,-2.4 -20,-1.2 -2,-0.5 2,-0.3 -0.466 22.0-144.8-108.7-177.7 -2.2 -9.6 5.9 65 65 A W E -CD 43 98C 17 33,-1.1 33,-1.2 -22,-0.3 2,-0.3 -0.930 2.7-152.9-144.1 167.9 -1.5 -8.6 2.3 66 66 A E E +CD 42 97C 35 -24,-2.2 -24,-2.4 -2,-0.3 31,-0.2 -0.989 11.3 177.1-149.6 136.2 0.1 -5.7 0.3 67 67 A Y E - D 0 96C 10 29,-1.6 29,-2.4 -2,-0.3 -39,-0.1 -0.997 26.0-120.4-142.9 139.1 -0.5 -4.3 -3.2 68 68 A P E - D 0 95C 0 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.348 30.9-177.2 -71.3 164.5 1.0 -1.3 -5.2 69 69 A I - 0 0 8 25,-0.9 2,-0.6 8,-0.1 25,-0.2 -0.997 27.8-118.3-159.9 158.5 -1.1 1.5 -6.6 70 70 A Y - 0 0 12 -2,-0.3 22,-0.1 6,-0.2 8,-0.0 -0.883 30.4-141.9-105.0 116.6 -0.9 4.7 -8.6 71 71 A W > - 0 0 31 -2,-0.6 3,-0.6 1,-0.1 5,-0.3 -0.023 38.4 -86.0 -56.8-179.4 -2.0 7.9 -6.9 72 72 A V T 3 S+ 0 0 82 -54,-0.3 -1,-0.1 1,-0.2 -53,-0.1 0.874 127.3 58.3 -61.7 -43.8 -4.0 10.6 -8.7 73 73 A G T 3 S+ 0 0 69 -55,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.833 95.3 79.4 -57.2 -37.4 -0.8 12.3 -9.9 74 74 A K < - 0 0 40 -3,-0.6 16,-0.1 1,-0.1 -4,-0.1 -0.418 68.8-152.1 -67.7 154.6 0.2 9.1 -11.7 75 75 A N + 0 0 169 14,-0.2 2,-0.3 -2,-0.1 -1,-0.1 -0.368 68.4 62.8-121.5 39.6 -1.4 8.2 -15.1 76 76 A A - 0 0 44 -5,-0.3 2,-0.3 14,-0.0 -6,-0.2 -0.950 63.9-136.3-149.8 178.0 -1.1 4.4 -14.9 77 77 A E - 0 0 131 -2,-0.3 12,-0.2 -8,-0.1 2,-0.2 -0.971 28.1-102.1-142.0 153.4 -2.2 1.3 -12.9 78 78 A W - 0 0 11 -2,-0.3 2,-0.1 -10,-0.2 -8,-0.1 -0.504 35.8-139.0 -76.1 143.6 -0.6 -1.8 -11.6 79 79 A A - 0 0 34 -2,-0.2 3,-0.4 3,-0.2 -39,-0.1 -0.395 10.9-126.6 -94.1 174.4 -1.1 -5.1 -13.5 80 80 A K S S+ 0 0 112 1,-0.2 2,-0.7 -2,-0.1 -40,-0.5 0.955 106.7 36.7 -82.9 -59.6 -1.7 -8.7 -12.2 81 81 A D S S+ 0 0 104 -44,-0.1 2,-0.4 -43,-0.1 -1,-0.2 -0.315 99.5 99.6 -90.4 46.7 1.0 -10.6 -14.0 82 82 A V - 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0 0 45 -37,-3.0 4,-2.9 5,-0.1 3,-1.7 0.674 32.0-167.8 -66.8 -22.6 -6.8 -12.4 4.8 101 101 A S T 34 S- 0 0 59 1,-0.3 4,-0.1 -38,-0.3 -1,-0.1 0.776 70.2 -65.5 33.5 42.8 -10.2 -12.4 6.5 102 102 A R T 34 S- 0 0 244 1,-0.2 -1,-0.3 -39,-0.1 3,-0.1 0.931 121.0 -17.3 45.3 58.0 -10.2 -16.2 5.7 103 103 A G T <4 S+ 0 0 62 -3,-1.7 2,-0.3 1,-0.3 -2,-0.2 0.783 125.1 94.5 84.2 33.6 -10.4 -15.5 2.0 104 104 A A < - 0 0 39 -4,-2.9 2,-0.4 -5,-0.1 -1,-0.3 -0.977 63.5-131.5-146.5 161.9 -11.5 -11.9 2.1 105 105 A V - 0 0 25 -2,-0.3 -5,-0.1 -4,-0.1 -76,-0.1 -0.965 13.1-177.2-117.0 129.0 -10.1 -8.3 2.1 106 106 A Q - 0 0 70 -2,-0.4 -6,-0.1 -7,-0.4 -1,-0.1 0.005 44.7-120.4-108.9 23.9 -11.0 -5.6 4.6 107 107 A Y - 0 0 46 -8,-0.2 -9,-0.3 1,-0.1 3,-0.1 0.883 33.8-169.4 31.9 58.4 -8.9 -2.8 3.1 108 108 A b - 0 0 16 1,-0.2 -10,-0.2 -11,-0.2 2,-0.2 0.857 52.9 -76.6 -44.1 -36.3 -7.1 -2.6 6.5 109 109 A G E -E 97 0C 8 -12,-2.3 -12,-3.4 -85,-0.1 2,-0.4 -0.777 43.5 -85.5 156.9 171.7 -5.5 0.6 5.1 110 110 A V E -E 96 0C 6 -14,-0.3 19,-3.6 -2,-0.2 -14,-0.3 -0.854 39.7-165.5 -99.4 133.5 -2.9 2.0 2.7 111 111 A M E -EF 95 128C 0 -16,-2.6 -16,-1.9 -2,-0.4 2,-0.3 -0.713 6.5-177.5-110.1 170.1 0.7 2.4 4.0 112 112 A T E - 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