==== 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 HYDROLASE 20-NOV-08 2KB5 . COMPND 2 MOLECULE: EOSINOPHIL CATIONIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.RICO,M.BRUIX,D.V.LAURENTS,J.SANTORO,M.JIMENEZ,E.BOIX, . 133 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 54.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 19.5 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 . 10 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 11.3 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 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 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 . 2 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 R 0 0 176 0, 0.0 6,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 80.1 7.8 -9.1 -2.1 2 2 A P - 0 0 19 0, 0.0 3,-0.2 0, 0.0 31,-0.1 -0.125 360.0 -99.1 -69.7 169.6 7.6 -12.5 -4.0 3 3 A P S S+ 0 0 137 0, 0.0 3,-0.1 0, 0.0 30,-0.0 0.464 124.7 49.9 -69.7 0.2 10.2 -13.7 -6.5 4 4 A Q S S+ 0 0 153 1,-0.2 2,-0.4 2,-0.1 0, 0.0 0.719 111.5 44.7-107.2 -33.9 7.8 -12.5 -9.2 5 5 A F S S- 0 0 66 -3,-0.2 -1,-0.2 1,-0.1 0, 0.0 -0.914 80.3-125.3-117.3 142.0 7.1 -9.0 -8.0 6 6 A T > - 0 0 20 -2,-0.4 4,-0.6 -3,-0.1 -1,-0.1 0.057 35.2 -96.4 -69.6-174.3 9.6 -6.4 -6.7 7 7 A R T 4 S+ 0 0 184 3,-0.1 4,-0.3 -6,-0.1 -1,-0.1 0.835 122.1 30.2 -75.4 -34.0 9.4 -4.6 -3.3 8 8 A A T >> S+ 0 0 9 2,-0.2 4,-1.7 3,-0.1 3,-1.6 0.939 118.7 49.1 -87.8 -64.2 7.7 -1.6 -4.8 9 9 A Q H 3> S+ 0 0 76 1,-0.3 4,-0.6 2,-0.2 -2,-0.1 0.779 116.2 49.3 -47.2 -28.2 5.7 -2.9 -7.8 10 10 A W H 3X S+ 0 0 9 -4,-0.6 4,-0.9 2,-0.2 -1,-0.3 0.760 103.4 60.2 -83.4 -27.4 4.4 -5.4 -5.3 11 11 A F H X> S+ 0 0 7 -3,-1.6 4,-3.1 -4,-0.3 3,-0.8 0.949 106.4 44.4 -64.9 -50.8 3.5 -2.8 -2.7 12 12 A A H 3X S+ 0 0 8 -4,-1.7 4,-2.6 3,-0.2 -1,-0.2 0.784 100.3 73.4 -64.7 -27.2 1.1 -1.0 -5.0 13 13 A I H 3< S+ 0 0 63 -4,-0.6 -1,-0.2 -5,-0.4 -2,-0.2 0.890 118.7 15.0 -53.8 -42.7 -0.3 -4.3 -6.0 14 14 A Q H << S+ 0 0 9 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.696 134.1 47.1-103.4 -28.3 -2.0 -4.6 -2.6 15 15 A H H < S+ 0 0 24 -4,-3.1 29,-3.1 -5,-0.2 2,-0.4 0.522 118.0 45.6 -90.1 -7.7 -1.7 -1.0 -1.5 16 16 A I B < +a 44 0A 18 -4,-2.6 29,-0.2 27,-0.3 2,-0.2 -0.997 57.7 145.4-140.5 133.8 -3.0 0.2 -4.8 17 17 A S - 0 0 37 27,-1.4 30,-0.1 -2,-0.4 26,-0.1 -0.640 35.4-149.8-170.0 105.0 -5.9 -0.9 -7.0 18 18 A L S S+ 0 0 99 1,-0.3 27,-0.1 -2,-0.2 -1,-0.1 0.893 102.2 28.7 -40.7 -53.4 -8.1 1.3 -9.2 19 19 A N S S- 0 0 142 25,-0.1 -1,-0.3 -3,-0.1 25,-0.1 -0.784 83.0-159.2-116.7 87.5 -11.0 -1.1 -8.5 20 20 A P - 0 0 32 0, 0.0 3,-0.2 0, 0.0 -3,-0.1 -0.524 14.4-157.9 -69.7 109.1 -10.6 -2.7 -5.1 21 21 A P - 0 0 75 0, 0.0 2,-0.5 0, 0.0 -4,-0.0 0.224 48.3 -35.4 -69.8-162.7 -12.7 -5.9 -5.1 22 22 A R >> - 0 0 188 1,-0.2 4,-3.1 2,-0.0 3,-1.9 -0.467 54.4-134.4 -64.5 113.5 -14.0 -7.8 -2.1 23 23 A a H 3> S+ 0 0 9 -2,-0.5 4,-0.6 1,-0.3 -1,-0.2 0.740 105.4 67.3 -39.3 -25.1 -11.4 -7.5 0.6 24 24 A T H 34 S+ 0 0 48 74,-0.2 -1,-0.3 2,-0.2 72,-0.1 0.947 118.0 17.2 -63.9 -50.6 -12.1 -11.2 1.0 25 25 A I H X4 S+ 0 0 92 -3,-1.9 3,-2.9 1,-0.2 4,-0.5 0.820 113.8 72.5 -90.5 -37.1 -10.6 -12.1 -2.4 26 26 A A H 3< S+ 0 0 14 -4,-3.1 4,-0.4 1,-0.3 -3,-0.2 0.703 94.7 59.4 -51.1 -18.8 -8.7 -8.9 -3.0 27 27 A M T 3< S+ 0 0 7 -4,-0.6 4,-0.4 -5,-0.4 -1,-0.3 0.104 90.9 77.6 -98.0 20.7 -6.4 -10.3 -0.3 28 28 A R S <> S+ 0 0 126 -3,-2.9 4,-1.9 2,-0.1 -2,-0.2 0.911 93.1 37.2 -90.5 -76.1 -5.7 -13.5 -2.4 29 29 A A T 4 S+ 0 0 66 -4,-0.5 -2,-0.1 2,-0.2 -3,-0.1 0.815 124.4 48.7 -46.9 -33.7 -3.2 -12.6 -5.1 30 30 A I T >4 S+ 0 0 12 -4,-0.4 3,-3.1 1,-0.2 4,-0.2 0.994 107.1 47.0 -70.8 -74.3 -1.5 -10.4 -2.5 31 31 A N G >4 S+ 0 0 3 -4,-0.4 3,-2.9 1,-0.3 -1,-0.2 0.725 92.2 87.4 -41.1 -22.5 -1.2 -12.6 0.6 32 32 A N G 3< S+ 0 0 123 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.645 74.4 70.6 -55.3 -12.4 0.1 -15.1 -2.0 33 33 A Y G < S+ 0 0 42 -3,-3.1 -1,-0.3 -31,-0.1 2,-0.2 0.749 110.7 20.3 -76.7 -24.8 3.4 -13.4 -1.3 34 34 A R S < S- 0 0 102 -3,-2.9 0, 0.0 2,-0.2 0, 0.0 -0.737 72.7-121.5-133.3-178.5 3.5 -14.9 2.2 35 35 A W S S+ 0 0 211 -2,-0.2 58,-0.4 2,-0.1 2,-0.1 0.609 91.2 64.8-101.0 -17.9 2.1 -17.8 4.2 36 36 A R S S- 0 0 133 56,-0.1 2,-0.3 -5,-0.1 -2,-0.2 -0.378 84.1-107.6 -98.0 179.0 0.5 -15.7 6.9 37 37 A b - 0 0 18 53,-0.1 2,-0.2 -2,-0.1 -2,-0.1 -0.749 27.6-113.2-109.0 156.8 -2.3 -13.1 6.8 38 38 A K - 0 0 63 -2,-0.3 3,-0.1 -11,-0.1 -7,-0.0 -0.555 7.0-145.8 -87.4 152.5 -2.1 -9.3 7.1 39 39 A N S S- 0 0 112 1,-0.3 46,-1.3 -2,-0.2 2,-0.3 0.553 81.4 -6.6 -91.6 -10.3 -3.6 -7.3 10.0 40 40 A Q E + B 0 84A 78 44,-0.3 2,-0.3 58,-0.0 -1,-0.3 -0.958 60.7 179.7-175.3 160.2 -4.5 -4.4 7.8 41 41 A N E - B 0 83A 9 42,-2.7 42,-3.3 -2,-0.3 2,-0.4 -0.967 13.5-151.9-168.2 154.0 -4.2 -3.0 4.2 42 42 A T E - B 0 82A 4 -2,-0.3 2,-0.8 40,-0.2 40,-0.2 -0.942 5.5-160.7-140.0 115.8 -5.2 -0.0 2.1 43 43 A F E - B 0 81A 11 38,-0.6 38,-1.6 -2,-0.4 2,-0.5 -0.830 13.1-155.0 -99.3 104.7 -5.7 -0.1 -1.7 44 44 A L E -aB 16 80A 1 -29,-3.1 2,-2.3 -2,-0.8 -27,-1.4 -0.667 18.3-128.6 -81.9 124.2 -5.5 3.4 -3.1 45 45 A R S S+ 0 0 74 34,-1.9 2,-0.3 -2,-0.5 -27,-0.2 -0.463 73.5 92.9 -72.5 78.5 -7.4 3.8 -6.4 46 46 A T S S- 0 0 14 -2,-2.3 -28,-0.1 32,-0.1 2,-0.1 -0.985 75.6 -95.3-163.6 160.9 -4.5 5.3 -8.3 47 47 A T > - 0 0 82 -2,-0.3 4,-0.9 1,-0.1 3,-0.4 -0.422 36.2-113.0 -81.3 158.1 -1.6 4.5 -10.6 48 48 A F H >> S+ 0 0 41 1,-0.2 4,-3.2 2,-0.2 3,-0.8 0.870 117.1 59.6 -56.6 -38.5 1.9 4.0 -9.4 49 49 A A H 3> S+ 0 0 38 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.908 100.9 53.1 -57.1 -44.7 2.9 7.2 -11.2 50 50 A N H 34 S+ 0 0 83 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.729 114.8 44.0 -63.9 -21.3 0.5 9.2 -9.2 51 51 A V H XX S+ 0 0 0 -4,-0.9 3,-1.2 -3,-0.8 4,-0.8 0.872 109.1 52.6 -89.4 -44.9 2.1 7.8 -6.1 52 52 A V H >< S+ 0 0 12 -4,-3.2 3,-0.7 1,-0.3 4,-0.4 0.841 103.6 59.8 -60.1 -34.1 5.8 8.1 -7.1 53 53 A N G >< S+ 0 0 87 -4,-2.0 3,-0.6 -5,-0.2 -1,-0.3 0.735 98.6 59.5 -66.7 -22.0 5.1 11.8 -7.9 54 54 A V G X4 S+ 0 0 2 -3,-1.2 3,-1.7 1,-0.2 -1,-0.2 0.769 92.0 66.1 -76.8 -26.8 4.1 12.2 -4.2 55 55 A c G << S+ 0 0 10 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.658 96.2 58.6 -68.8 -14.8 7.6 11.0 -3.1 56 56 A G G < S+ 0 0 69 -3,-0.6 -1,-0.3 -4,-0.4 2,-0.2 0.330 90.8 94.3 -96.2 6.8 9.0 14.2 -4.6 57 57 A N S < S- 0 0 31 -3,-1.7 2,-0.1 1,-0.1 -3,-0.0 -0.523 99.0 -60.7 -95.9 165.2 6.8 16.5 -2.5 58 58 A Q - 0 0 155 -2,-0.2 15,-0.4 14,-0.1 -1,-0.1 -0.207 64.1-138.9 -46.6 108.0 7.7 18.1 0.8 59 59 A S - 0 0 32 13,-0.1 2,-0.3 -2,-0.1 13,-0.2 -0.135 23.3-171.8 -67.0 167.6 8.4 15.1 3.1 60 60 A I B -D 71 0B 67 11,-1.1 2,-0.5 8,-0.0 11,-0.5 -0.909 35.7 -64.9-151.5 177.1 7.2 15.0 6.7 61 61 A R - 0 0 182 -2,-0.3 8,-0.2 8,-0.1 5,-0.1 -0.593 52.4-142.3 -74.6 117.5 7.4 13.0 9.9 62 62 A d - 0 0 5 6,-1.2 6,-0.2 3,-0.6 -1,-0.0 -0.426 10.6-130.0 -79.4 154.4 5.9 9.5 9.4 63 63 A P S S+ 0 0 82 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.896 109.5 48.5 -69.7 -42.2 3.9 7.7 12.1 64 64 A H S S+ 0 0 131 1,-0.3 2,-0.3 2,-0.1 3,-0.1 0.705 120.5 40.9 -71.6 -19.6 5.8 4.5 11.8 65 65 A N > + 0 0 52 3,-0.2 3,-1.7 1,-0.1 -3,-0.6 -0.702 59.3 168.0-132.2 81.6 9.0 6.5 12.0 66 66 A R T 3 S+ 0 0 213 -3,-0.4 -1,-0.1 -2,-0.3 -2,-0.1 0.478 87.3 47.3 -70.9 -0.5 8.7 9.3 14.6 67 67 A T T 3 S+ 0 0 122 1,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.030 112.3 49.8-127.8 24.5 12.5 9.6 14.2 68 68 A L < - 0 0 55 -3,-1.7 -6,-1.2 -6,-0.2 -3,-0.2 -0.984 55.5-154.1-160.8 151.5 12.8 9.6 10.4 69 69 A N + 0 0 89 -2,-0.3 -8,-0.1 -8,-0.2 -10,-0.1 -0.557 46.9 128.8-130.1 68.1 11.2 11.2 7.3 70 70 A N + 0 0 74 -2,-0.2 41,-1.0 -5,-0.1 2,-0.2 0.209 63.0 70.8-104.0 12.9 11.6 8.8 4.4 71 71 A d E -DE 60 110B 0 -11,-0.5 -11,-1.1 39,-0.2 2,-0.3 -0.731 63.8-149.4-123.1 172.9 7.9 9.1 3.5 72 72 A H E - 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0 0 28 -3,-1.5 -1,-0.3 1,-0.1 2,-0.2 -0.723 35.9-176.8 -87.1 125.4 -6.7 -16.4 12.3 91 91 A Q + 0 0 130 -2,-0.5 2,-0.3 -3,-0.1 -1,-0.1 -0.495 45.1 107.2-119.0 61.1 -3.7 -17.3 10.1 92 92 A N >> - 0 0 66 -2,-0.2 3,-1.2 1,-0.1 4,-0.7 -0.868 49.1-163.1-143.0 105.6 -5.3 -18.8 7.0 93 93 A I T 34 S+ 0 0 43 -58,-0.4 -1,-0.1 -2,-0.3 -61,-0.1 0.611 95.3 62.4 -60.9 -9.8 -5.3 -16.9 3.7 94 94 A S T 34 S+ 0 0 101 1,-0.1 -1,-0.3 -3,-0.0 -66,-0.0 0.816 120.4 19.1 -84.7 -34.2 -8.1 -19.3 2.8 95 95 A N T <4 S+ 0 0 123 -3,-1.2 2,-0.9 2,-0.1 -2,-0.2 0.047 91.1 128.5-123.2 22.9 -10.5 -18.2 5.5 96 96 A b < - 0 0 4 -4,-0.7 2,-0.2 -72,-0.1 -69,-0.1 -0.722 42.8-161.6 -86.1 104.5 -8.9 -14.8 6.2 97 97 A R - 0 0 155 -2,-0.9 -11,-0.9 -12,-0.0 -10,-0.6 -0.546 3.0-160.2 -85.8 151.4 -11.7 -12.2 6.0 98 98 A Y B -G 85 0C 15 -13,-0.2 -13,-0.2 -2,-0.2 -74,-0.2 -0.991 14.3-123.7-135.2 141.7 -11.0 -8.5 5.6 99 99 A A - 0 0 30 -15,-3.0 2,-0.4 -2,-0.4 -15,-0.2 -0.381 20.6-142.3 -79.3 159.6 -13.1 -5.4 6.3 100 100 A D + 0 0 107 -17,-0.2 -17,-0.2 -2,-0.1 -78,-0.0 -0.989 24.3 164.2-128.9 131.0 -14.0 -2.8 3.6 101 101 A R E -C 82 0A 179 -19,-0.6 -19,-1.7 -2,-0.4 -21,-0.0 -0.825 21.8-149.5-149.9 105.0 -14.2 1.0 4.1 102 102 A P E +C 81 0A 86 0, 0.0 2,-0.3 0, 0.0 -21,-0.2 -0.247 28.2 150.3 -69.7 159.3 -14.2 3.5 1.2 103 103 A G E -C 80 0A 31 -23,-1.3 -23,-3.3 2,-0.1 2,-0.5 -0.882 39.1-129.9 175.8 152.5 -12.7 7.0 1.5 104 104 A R E +C 79 0A 180 -25,-0.3 2,-0.3 -2,-0.3 -27,-0.1 -0.930 55.7 101.8-121.4 108.5 -11.0 9.8 -0.3 105 105 A R E -C 78 0A 142 -27,-1.7 -27,-1.1 -2,-0.5 -29,-0.1 -0.938 67.1 -62.8-164.7-177.0 -7.9 11.3 1.3 106 106 A F - 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