==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RIBONUCLEASE 06-OCT-99 1QMT . COMPND 2 MOLECULE: EOSINOPHIL CATIONIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.BOIX,D.D.LEONIDAS,K.R.ACHARYA . 134 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 76 56.7 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 . 33 24.6 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 0.7 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 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 13.4 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 2 0 0 0 1 1 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 0 1 0 1 1 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 0 A M 0 0 224 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.7 49.6 -0.9 0.8 2 1 A R - 0 0 97 1,-0.1 6,-0.1 2,-0.1 33,-0.0 -0.420 360.0-109.5 -65.7 127.0 53.0 -0.6 -0.8 3 2 A P > - 0 0 7 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.385 27.6-126.8 -58.6 130.7 53.1 -2.5 -4.1 4 3 A P T 3 S+ 0 0 103 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.760 102.5 63.4 -47.0 -39.3 55.4 -5.6 -3.6 5 4 A Q T 3 S+ 0 0 96 2,-0.0 2,-0.4 0, 0.0 -3,-0.0 0.577 95.0 71.5 -69.1 -11.3 57.7 -4.9 -6.5 6 5 A F S < S- 0 0 44 -3,-1.8 2,-0.0 4,-0.0 -4,-0.0 -0.897 79.9-131.0-109.5 137.6 58.9 -1.6 -5.0 7 6 A T > - 0 0 0 -2,-0.4 4,-2.3 1,-0.1 5,-0.3 -0.291 34.1-102.3 -75.4 168.1 61.2 -1.4 -1.9 8 7 A R H > S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.884 123.5 50.7 -60.4 -36.2 60.2 0.9 0.9 9 8 A A H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.872 110.7 47.0 -70.0 -38.2 62.8 3.5 -0.2 10 9 A Q H > S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.888 111.5 50.2 -71.8 -38.7 61.6 3.5 -3.9 11 10 A W H X S+ 0 0 29 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.884 109.8 53.9 -64.7 -36.8 58.0 3.8 -2.9 12 11 A F H X S+ 0 0 4 -4,-1.7 4,-2.9 -5,-0.3 5,-0.3 0.948 110.1 45.0 -61.0 -49.7 59.1 6.7 -0.7 13 12 A A H X S+ 0 0 28 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.857 111.7 52.8 -63.7 -36.6 60.8 8.4 -3.6 14 13 A I H < S+ 0 0 63 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.880 118.0 37.1 -66.7 -39.8 57.8 7.8 -6.0 15 14 A Q H < S+ 0 0 26 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.864 133.9 17.0 -81.2 -38.0 55.4 9.3 -3.5 16 15 A H H < S+ 0 0 15 -4,-2.9 29,-3.5 -5,-0.2 2,-0.6 0.520 98.4 82.7-121.5 -2.2 57.5 12.2 -2.1 17 16 A I B < +a 45 0A 27 -4,-2.0 2,-0.2 -5,-0.3 29,-0.2 -0.913 42.2 131.5-112.8 121.8 60.6 13.2 -4.1 18 17 A S - 0 0 31 27,-2.2 30,-0.1 -2,-0.6 26,-0.0 -0.746 31.0-169.0-167.5 113.9 60.4 15.5 -7.0 19 18 A L S S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.2 29,-0.1 0.924 95.9 20.6 -66.9 -49.5 62.5 18.6 -7.8 20 19 A N S S- 0 0 130 27,-0.1 -1,-0.3 0, 0.0 26,-0.0 -0.708 86.1-167.3-125.8 80.4 60.3 19.7 -10.7 21 20 A P - 0 0 26 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.286 14.5-132.5 -68.7 147.2 56.9 18.2 -10.2 22 21 A P - 0 0 65 0, 0.0 5,-0.0 0, 0.0 -4,-0.0 -0.275 57.4 -51.8 -84.2-177.1 54.2 18.2 -12.9 23 22 A R >> - 0 0 132 1,-0.1 4,-2.9 -2,-0.1 3,-1.2 -0.259 56.2-118.1 -55.9 143.5 50.7 19.2 -12.0 24 23 A a H 3> S+ 0 0 0 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.871 113.6 60.2 -52.1 -42.4 49.3 17.2 -9.1 25 24 A T H 34 S+ 0 0 3 74,-0.4 4,-0.3 1,-0.2 -1,-0.3 0.849 113.8 37.5 -57.4 -33.8 46.6 15.7 -11.2 26 25 A I H X> S+ 0 0 76 -3,-1.2 3,-1.2 2,-0.1 4,-0.5 0.920 115.7 51.2 -82.1 -49.9 49.3 14.3 -13.4 27 26 A A H 3< S+ 0 0 19 -4,-2.9 3,-0.5 1,-0.2 4,-0.4 0.878 106.8 54.6 -54.8 -43.1 51.8 13.4 -10.7 28 27 A M T 3X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 3,-0.5 0.653 86.1 83.8 -69.5 -16.5 49.3 11.5 -8.6 29 28 A R H <> S+ 0 0 128 -3,-1.2 4,-1.3 -4,-0.3 -1,-0.2 0.945 90.3 47.6 -52.4 -56.0 48.2 9.2 -11.4 30 29 A A H < S+ 0 0 60 -4,-0.5 4,-0.3 -3,-0.5 -1,-0.2 0.747 113.7 48.8 -58.7 -27.9 51.1 6.7 -10.9 31 30 A I H >4 S+ 0 0 2 -3,-0.5 3,-1.3 -4,-0.4 -1,-0.2 0.909 109.8 48.2 -79.9 -44.2 50.5 6.6 -7.1 32 31 A N H >< S+ 0 0 22 -4,-2.4 3,-2.3 1,-0.3 -2,-0.2 0.686 92.5 80.8 -69.4 -18.4 46.8 6.0 -7.2 33 32 A N T 3< S+ 0 0 119 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.835 96.9 43.5 -57.5 -30.6 47.3 3.3 -9.7 34 33 A Y T < S+ 0 0 93 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.3 0.082 104.6 84.9-101.6 22.1 48.2 1.0 -6.8 35 34 A R < - 0 0 109 -3,-2.3 3,-0.1 1,-0.1 -33,-0.0 -0.859 68.5-142.3-123.4 160.3 45.4 2.2 -4.5 36 35 A W S S+ 0 0 208 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.878 93.7 21.6 -81.7 -44.2 41.8 1.2 -4.1 37 36 A R S S- 0 0 138 56,-0.0 -1,-0.2 58,-0.0 3,-0.1 -0.918 98.5 -88.1-125.1 150.6 40.7 4.8 -3.5 38 37 A b - 0 0 12 -2,-0.3 2,-0.2 1,-0.1 52,-0.2 -0.285 47.3-104.1 -60.8 135.6 42.3 8.1 -4.4 39 38 A K - 0 0 36 -11,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.400 22.1-145.6 -65.6 124.2 44.8 9.6 -1.9 40 39 A N S S- 0 0 110 -2,-0.2 46,-2.7 1,-0.2 2,-0.3 0.880 77.3 -3.4 -54.8 -45.6 43.3 12.5 -0.0 41 40 A Q E - B 0 85A 77 44,-0.2 2,-0.3 58,-0.0 -1,-0.2 -0.989 62.1-176.7-155.4 142.0 46.5 14.5 0.2 42 41 A N E - B 0 84A 3 42,-1.9 42,-3.0 -2,-0.3 2,-0.5 -0.998 12.4-148.9-142.6 144.6 50.1 14.0 -0.8 43 42 A T E - B 0 83A 16 -2,-0.3 2,-0.4 40,-0.2 40,-0.2 -0.955 4.0-160.9-118.9 126.9 53.3 16.1 -0.3 44 43 A F E - B 0 82A 9 38,-2.9 38,-2.4 -2,-0.5 2,-0.6 -0.877 13.4-143.8-102.4 134.1 56.2 16.2 -2.7 45 44 A L E -aB 17 81A 0 -29,-3.5 -27,-2.2 -2,-0.4 2,-1.9 -0.867 14.3-136.6 -95.7 124.7 59.5 17.5 -1.3 46 45 A R S S+ 0 0 99 34,-2.0 2,-0.2 -2,-0.6 -27,-0.2 -0.575 71.5 88.4 -85.1 78.2 61.3 19.5 -4.0 47 46 A T S S- 0 0 17 -2,-1.9 2,-0.3 32,-0.1 -28,-0.1 -0.770 79.1 -86.5-149.7-167.5 64.7 18.1 -3.3 48 47 A T > - 0 0 51 -2,-0.2 4,-1.1 1,-0.1 5,-0.1 -0.802 28.3-120.1-112.5 157.9 66.8 15.1 -4.4 49 48 A F H >> S+ 0 0 52 -2,-0.3 4,-2.0 1,-0.2 3,-1.1 0.946 115.1 57.8 -59.9 -46.1 66.9 11.6 -3.1 50 49 A A H 3> S+ 0 0 41 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.881 103.5 53.7 -49.8 -42.5 70.6 12.0 -2.2 51 50 A N H 3> S+ 0 0 81 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.776 106.9 49.7 -66.1 -29.4 69.7 15.0 -0.1 52 51 A V H < S+ 0 0 109 -4,-0.9 3,-0.7 -5,-0.2 4,-0.4 0.900 101.9 53.7 -70.8 -41.4 71.8 13.0 4.3 55 54 A V H >< S+ 0 0 13 -4,-1.0 3,-1.9 1,-0.3 -2,-0.2 0.915 102.8 60.5 -56.5 -41.6 69.1 14.0 6.7 56 55 A c H 3< S+ 0 0 7 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.827 97.7 60.5 -54.9 -34.0 69.0 10.3 7.5 57 56 A G T << S+ 0 0 71 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.550 95.1 75.0 -76.5 -6.4 72.6 10.6 8.7 58 57 A N S < S- 0 0 38 -3,-1.9 -3,-0.0 -4,-0.4 17,-0.0 -0.136 94.6 -28.8 -98.0-165.2 72.1 13.1 11.4 59 58 A Q - 0 0 150 1,-0.1 2,-0.3 15,-0.1 15,-0.2 0.022 63.5-128.2 -38.6 142.5 70.7 13.3 14.9 60 59 A S - 0 0 45 13,-0.1 2,-0.3 -3,-0.1 13,-0.2 -0.763 28.8-179.4 -98.6 144.2 68.0 10.8 15.6 61 60 A I B -D 72 0B 53 11,-2.2 11,-2.3 -2,-0.3 2,-0.2 -0.950 36.3 -95.2-138.7 159.5 64.7 11.9 17.1 62 61 A R - 0 0 119 -2,-0.3 8,-0.3 8,-0.2 5,-0.2 -0.515 54.2 -99.9 -71.2 144.4 61.5 10.1 18.1 63 62 A d B > -G 66 0C 2 6,-2.9 3,-1.4 3,-0.6 6,-0.2 -0.541 25.6-141.4 -71.2 122.0 59.0 10.2 15.3 64 63 A P T > S+ 0 0 62 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.921 101.5 40.1 -46.6 -55.6 56.4 12.9 15.9 65 64 A H T 3 S+ 0 0 143 1,-0.3 -2,-0.1 2,-0.1 2,-0.0 0.512 131.5 27.5 -76.7 -4.4 53.5 10.9 14.6 66 65 A N B X -G 63 0C 70 -3,-1.4 3,-2.8 3,-0.2 -3,-0.6 -0.469 66.9-176.0-155.6 75.8 54.7 7.7 16.2 67 66 A R T < S+ 0 0 164 -3,-0.5 -2,-0.1 1,-0.3 -1,-0.0 0.549 77.1 73.6 -53.2 -11.6 56.8 8.4 19.3 68 67 A T T 3 S+ 0 0 107 -6,-0.1 2,-0.5 -5,-0.1 -1,-0.3 0.735 85.2 77.7 -76.9 -19.2 57.6 4.7 19.8 69 68 A L < - 0 0 70 -3,-2.8 -6,-2.9 -6,-0.2 3,-0.2 -0.776 58.1-173.9 -92.8 127.1 59.9 4.9 16.8 70 69 A N + 0 0 82 -2,-0.5 -8,-0.2 -8,-0.3 -1,-0.1 -0.075 63.8 87.8-110.0 33.9 63.3 6.5 17.5 71 70 A N + 0 0 67 -11,-0.1 41,-2.2 2,-0.0 2,-0.3 -0.254 56.7 123.1-125.2 47.3 64.6 6.6 13.9 72 71 A d E -DE 61 111B 0 -11,-2.3 -11,-2.2 39,-0.2 2,-0.4 -0.738 40.2-161.7-105.0 155.8 63.2 9.9 12.7 73 72 A H E - E 0 110B 14 37,-2.4 37,-2.1 -2,-0.3 2,-0.3 -0.957 6.1-151.1-144.1 121.5 65.3 12.7 11.3 74 73 A R E - E 0 109B 83 -2,-0.4 35,-0.2 -15,-0.2 2,-0.1 -0.660 24.3-120.5 -88.3 144.2 64.4 16.4 10.8 75 74 A S - 0 0 5 33,-2.1 -1,-0.1 -2,-0.3 32,-0.0 -0.496 10.9-142.6 -77.7 154.8 65.9 18.4 8.0 76 75 A R S S+ 0 0 157 -2,-0.1 2,-0.3 31,-0.1 -1,-0.1 0.714 84.4 62.0 -90.3 -20.0 67.9 21.4 9.3 77 76 A F S S- 0 0 166 29,-0.1 2,-0.5 31,-0.1 31,-0.4 -0.778 86.6-121.6-105.5 146.5 66.7 23.4 6.3 78 77 A R - 0 0 127 -2,-0.3 29,-0.3 29,-0.1 -2,-0.0 -0.755 37.3-153.2 -83.1 132.3 63.1 24.4 5.4 79 78 A V E - C 0 106A 17 27,-2.9 27,-1.5 -2,-0.5 -32,-0.1 -0.847 16.2-110.9-113.1 141.3 62.6 22.9 1.9 80 79 A P E + C 0 105A 66 0, 0.0 -34,-2.0 0, 0.0 2,-0.3 -0.399 46.9 178.8 -63.5 151.3 60.2 24.1 -0.8 81 80 A L E -BC 45 104A 4 23,-2.9 23,-1.8 -36,-0.2 2,-0.5 -0.976 28.1-133.2-151.0 165.0 57.4 21.7 -1.3 82 81 A L E -BC 44 103A 21 -38,-2.4 -38,-2.9 -2,-0.3 2,-0.4 -0.978 15.5-157.0-126.0 120.7 54.2 20.9 -3.3 83 82 A H E -BC 43 102A 11 19,-2.9 19,-2.2 -2,-0.5 2,-0.6 -0.781 3.4-156.3 -95.7 137.3 51.0 19.7 -1.7 84 83 A a E -BC 42 101A 0 -42,-3.0 -42,-1.9 -2,-0.4 2,-0.5 -0.964 11.9-166.3-115.2 114.9 48.4 17.9 -3.8 85 84 A D E -BC 41 100A 41 15,-2.3 15,-2.8 -2,-0.6 2,-0.3 -0.909 21.0-124.4-109.1 127.4 44.9 18.1 -2.4 86 85 A L E - C 0 99A 24 -46,-2.7 13,-0.2 -2,-0.5 -46,-0.1 -0.513 20.7-168.1 -68.8 128.7 42.1 15.8 -3.6 87 86 A I S S+ 0 0 100 11,-2.2 -1,-0.1 -2,-0.3 12,-0.1 0.899 77.0 50.0 -84.9 -46.7 39.2 17.9 -4.8 88 87 A N S > S- 0 0 7 10,-0.5 3,-0.9 5,-0.1 2,-0.2 -0.663 77.2-175.1 -97.2 80.8 36.5 15.2 -5.2 89 88 A P T 3 S- 0 0 73 0, 0.0 3,-0.1 0, 0.0 -49,-0.0 -0.542 70.1 -11.2 -81.0 140.5 36.6 13.4 -1.8 90 89 A G T 3 S+ 0 0 94 -2,-0.2 3,-0.1 -52,-0.2 4,-0.0 0.747 133.4 69.8 44.9 26.2 34.4 10.3 -1.3 91 90 A A S < S+ 0 0 72 -3,-0.9 -1,-0.2 1,-0.3 3,-0.2 0.290 70.3 60.7-129.0-103.0 32.8 11.4 -4.6 92 91 A Q S S- 0 0 120 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 -0.026 97.5 -77.7 -44.3 129.0 34.2 11.4 -8.1 93 92 A N > - 0 0 114 1,-0.2 2,-1.6 2,-0.1 3,-1.4 0.155 37.0-123.4 -29.6 128.0 35.3 8.0 -9.5 94 93 A I T 3 S+ 0 0 48 1,-0.2 -1,-0.2 -3,-0.2 3,-0.1 -0.024 108.0 63.6 -73.4 38.7 38.6 6.8 -8.2 95 94 A S T 3 S+ 0 0 66 -2,-1.6 2,-0.4 -57,-0.0 -1,-0.2 0.560 104.0 39.5-127.0 -38.6 39.7 6.6 -11.8 96 95 A N S < S+ 0 0 117 -3,-1.4 2,-0.4 2,-0.0 -2,-0.1 -0.577 81.8 170.6-115.3 64.9 39.5 10.3 -12.9 97 96 A b - 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