==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN, PEPTIDE BINDING PROTEIN08-FEB-07 2OTK . COMPND 2 MOLECULE: AMYLOID BETA A4 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.HOYER,T.HARD . 111 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6171.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 72.1 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 . 20 18.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 . 3 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 45.0 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 0 0 0 0 0 0 0 0 0 2 1 0 0 1 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 . 0 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 16 C K 0 0 117 0, 0.0 21,-3.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 152.1 125.1 -9.7 -2.7 2 17 C L E -A 21 0A 49 19,-0.2 2,-0.4 20,-0.1 19,-0.2 -0.950 360.0-170.3-127.2 146.0 122.7 -6.7 -2.9 3 18 C V E -A 20 0A 16 17,-1.7 17,-2.9 -2,-0.3 2,-0.5 -0.998 14.5-141.9-141.0 135.9 120.6 -5.1 -0.1 4 19 C F E +AB 19 76A 9 72,-0.7 72,-3.2 -2,-0.4 2,-0.3 -0.836 29.0 167.2 -99.7 130.6 117.9 -2.5 -0.1 5 20 C F E -AB 18 75A 0 13,-3.0 13,-2.8 -2,-0.5 2,-0.4 -0.971 28.1-135.4-140.4 155.5 117.8 0.0 2.7 6 21 C A E -AB 17 74A 0 68,-2.6 68,-2.4 -2,-0.3 2,-0.5 -0.946 15.1-149.6-115.7 131.3 116.0 3.3 3.5 7 22 C E E -AB 16 73A 50 9,-2.6 9,-2.5 -2,-0.4 2,-0.6 -0.868 17.3-127.7-101.7 128.9 117.9 6.3 5.0 8 23 C D E +A 15 0A 44 64,-3.4 7,-0.2 -2,-0.5 6,-0.1 -0.633 42.8 155.0 -76.6 115.6 116.0 8.7 7.3 9 24 C V E - 0 0 42 5,-2.0 6,-0.2 -2,-0.6 -1,-0.2 0.346 34.0-151.1-121.4 -1.4 116.7 12.1 5.9 10 25 C G E >> +A 14 0A 31 4,-1.2 4,-1.1 85,-0.1 3,-0.6 -0.384 53.3 100.5 63.9-136.9 113.6 14.0 7.2 11 26 C S G >4 S- 0 0 98 1,-0.2 3,-1.0 2,-0.2 -1,-0.1 0.062 105.5 -55.0 53.6-167.3 112.5 16.8 4.9 12 27 C N G 34 S+ 0 0 138 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.400 135.9 70.5 -83.0 2.9 109.6 16.4 2.4 13 28 C K G <4 S- 0 0 126 -3,-0.6 2,-1.1 1,-0.2 -1,-0.2 0.567 79.5-166.5 -92.5 -15.4 111.6 13.4 1.2 14 29 C G E << -A 10 0A 2 -4,-1.1 -5,-2.0 -3,-1.0 -4,-1.2 -0.487 63.6 -7.3 65.0 -98.2 110.9 11.3 4.3 15 30 C A E S-A 8 0A 12 -2,-1.1 2,-0.4 -7,-0.2 -7,-0.2 -0.831 70.6-125.3-124.9 163.0 113.5 8.6 3.7 16 31 C I E -A 7 0A 22 -9,-2.5 -9,-2.6 -2,-0.3 2,-0.7 -0.932 18.0-129.2-114.1 134.1 115.8 7.8 0.7 17 32 C I E +A 6 0A 10 -2,-0.4 15,-2.6 -11,-0.2 2,-0.3 -0.708 40.2 160.0 -83.8 117.3 116.0 4.5 -1.1 18 33 C G E -AC 5 31A 0 -13,-2.8 -13,-3.0 -2,-0.7 2,-0.3 -0.964 21.8-153.2-135.6 149.6 119.6 3.3 -1.3 19 34 C L E -AC 4 30A 0 11,-2.7 11,-3.5 -2,-0.3 2,-0.3 -0.935 12.6-128.5-127.6 151.4 121.0 -0.2 -1.9 20 35 C M E -AC 3 29A 8 -17,-2.9 -17,-1.7 -2,-0.3 2,-0.5 -0.727 17.3-152.2 -96.4 144.5 124.3 -1.8 -1.0 21 36 C V E -AC 2 28A 30 7,-2.6 7,-2.0 -2,-0.3 -19,-0.2 -0.924 54.6 -18.3-125.4 111.1 126.4 -3.6 -3.6 22 37 C G S S- 0 0 30 -21,-3.5 -1,-0.3 -2,-0.5 6,-0.1 0.624 105.6 -10.2 73.3 135.0 128.7 -6.5 -2.7 23 38 C G S S- 0 0 46 4,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.080 99.9 -49.6 49.6-144.2 130.1 -7.6 0.6 24 39 C V 0 0 120 1,-0.1 -1,-0.1 -3,-0.1 4,-0.0 -0.986 360.0 360.0-130.6 139.6 129.8 -5.3 3.6 25 40 C V 0 0 132 -2,-0.4 -1,-0.1 3,-0.0 -2,-0.0 0.888 360.0 360.0 -79.2 360.0 130.5 -1.6 4.0 26 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 27 14 E G 0 0 51 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 0.000 360.0 360.0 360.0 133.8 130.7 -2.6 -0.3 28 15 E E E -C 21 0A 114 -7,-2.0 -7,-2.6 -6,-0.1 2,-0.5 -0.681 360.0-152.8 -80.7 124.2 129.7 -0.0 -3.0 29 16 E I E -C 20 0A 55 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.891 7.5-161.2-109.4 129.9 126.5 1.7 -1.9 30 17 E V E -C 19 0A 10 -11,-3.5 -11,-2.7 -2,-0.5 2,-0.4 -0.821 3.8-158.4-107.8 145.8 124.0 3.2 -4.4 31 18 E Y E -C 18 0A 75 -2,-0.3 -13,-0.2 -13,-0.3 3,-0.1 -0.990 9.5-179.4-125.8 128.9 121.2 5.8 -3.9 32 19 E L > + 0 0 1 -15,-2.6 3,-0.8 -2,-0.4 -15,-0.2 -0.475 26.7 142.7-125.5 61.5 118.2 6.2 -6.2 33 20 E P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -15,-0.1 0.750 74.3 59.8 -68.7 -25.1 116.1 9.1 -4.8 34 21 E N T 3 S+ 0 0 69 -3,-0.1 2,-0.4 2,-0.1 -2,-0.1 0.659 85.4 93.4 -78.5 -19.3 115.4 10.3 -8.3 35 22 E L S < S- 0 0 8 -3,-0.8 -18,-0.1 -18,-0.1 -3,-0.1 -0.634 76.4-127.9 -82.1 132.6 113.7 7.0 -9.3 36 23 E N > - 0 0 58 -2,-0.4 4,-3.0 1,-0.1 3,-0.3 -0.291 28.5-103.0 -72.0 159.2 109.9 6.8 -8.8 37 24 E P H > S+ 0 0 16 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.857 123.8 52.9 -52.4 -38.6 108.3 3.9 -6.8 38 25 E D H > S+ 0 0 123 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.917 112.1 44.7 -64.0 -43.4 107.2 2.2 -10.1 39 26 E Q H > S+ 0 0 51 -3,-0.3 4,-3.2 2,-0.2 5,-0.2 0.928 114.3 47.8 -66.3 -46.3 110.8 2.4 -11.4 40 27 E L H X S+ 0 0 5 -4,-3.0 4,-3.2 1,-0.2 -2,-0.2 0.879 113.3 49.8 -62.3 -36.9 112.3 1.2 -8.1 41 28 E a H X S+ 0 0 13 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.913 112.3 46.7 -66.9 -42.8 109.7 -1.6 -8.0 42 29 E A H X S+ 0 0 62 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.931 116.2 45.4 -63.0 -46.2 110.6 -2.5 -11.6 43 30 E F H X S+ 0 0 13 -4,-3.2 4,-3.4 1,-0.2 5,-0.2 0.936 112.5 50.1 -61.7 -50.9 114.3 -2.4 -10.8 44 31 E I H X S+ 0 0 5 -4,-3.2 4,-1.8 2,-0.2 -1,-0.2 0.825 112.5 47.9 -60.2 -34.0 113.9 -4.3 -7.5 45 32 E H H X S+ 0 0 78 -4,-2.0 4,-3.3 2,-0.2 -1,-0.2 0.945 116.9 41.2 -72.3 -47.8 111.9 -7.1 -9.3 46 33 E S H X S+ 0 0 39 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.880 114.7 53.1 -64.9 -39.2 114.4 -7.4 -12.1 47 34 E L H < S+ 0 0 16 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.894 115.6 40.1 -62.4 -42.5 117.3 -7.1 -9.7 48 35 E H H < S+ 0 0 125 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.920 115.4 49.9 -72.8 -48.4 115.8 -9.9 -7.6 49 36 E D H < S+ 0 0 125 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.851 121.4 35.0 -60.1 -38.1 114.7 -12.1 -10.6 50 37 E D < + 0 0 54 -4,-2.4 3,-0.3 -5,-0.2 -1,-0.3 -0.728 63.6 161.1-121.0 80.7 118.2 -11.8 -12.2 51 38 E P S > S+ 0 0 91 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.845 77.6 60.0 -67.2 -33.1 120.9 -11.8 -9.4 52 39 E S T 3 S+ 0 0 118 1,-0.3 3,-0.4 -3,-0.1 4,-0.2 0.855 109.6 42.6 -62.2 -35.7 123.6 -12.7 -12.0 53 40 E Q T 3> S+ 0 0 93 -3,-0.3 4,-3.5 1,-0.2 5,-0.3 0.226 82.2 111.9 -93.2 10.8 122.7 -9.6 -13.9 54 41 E S H <> S+ 0 0 26 -3,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.866 79.0 46.8 -53.1 -40.4 122.5 -7.5 -10.7 55 42 E A H > S+ 0 0 68 -3,-0.4 4,-1.7 -4,-0.3 -1,-0.2 0.939 116.4 42.8 -68.2 -48.1 125.7 -5.5 -11.6 56 43 E N H > S+ 0 0 113 -4,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.931 114.8 50.2 -63.2 -46.7 124.5 -4.9 -15.2 57 44 E L H >X S+ 0 0 36 -4,-3.5 4,-1.5 1,-0.2 3,-0.5 0.879 108.1 53.8 -59.2 -39.7 121.0 -4.0 -14.2 58 45 E L H 3X S+ 0 0 4 -4,-1.9 4,-3.2 -5,-0.3 5,-0.3 0.882 99.1 62.2 -63.2 -37.4 122.3 -1.6 -11.5 59 46 E A H 3X S+ 0 0 36 -4,-1.7 4,-1.8 1,-0.3 -1,-0.2 0.868 105.6 48.1 -54.8 -35.8 124.3 0.1 -14.3 60 47 E E H - 0 0 54 1,-0.1 4,-2.0 -2,-0.1 3,-0.3 -0.642 20.9-125.6 -86.8 141.9 110.5 -10.0 0.4 81 24 F P H > S+ 0 0 20 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.878 113.2 52.2 -54.0 -40.4 110.9 -8.1 -2.9 82 25 F D H > S+ 0 0 97 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.892 108.1 52.5 -63.6 -36.1 107.1 -7.5 -3.2 83 26 F Q H > S+ 0 0 63 -3,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.889 106.1 54.1 -64.0 -39.5 107.3 -6.2 0.4 84 27 F L H X S+ 0 0 14 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.913 108.3 49.0 -60.8 -44.1 110.1 -3.8 -0.8 85 28 F a H X S+ 0 0 31 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.938 114.3 44.7 -61.4 -46.6 107.8 -2.5 -3.6 86 29 F A H X S+ 0 0 54 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.875 113.8 52.5 -63.7 -37.7 105.0 -2.0 -1.1 87 30 F F H X S+ 0 0 11 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.962 109.8 45.7 -62.9 -53.6 107.5 -0.4 1.3 88 31 F I H X S+ 0 0 7 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.859 111.3 55.2 -59.0 -34.9 108.9 2.1 -1.3 89 32 F H H X S+ 0 0 96 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.922 108.0 47.9 -62.9 -45.2 105.2 2.9 -2.2 90 33 F S H X S+ 0 0 20 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.860 106.3 57.5 -65.1 -36.2 104.4 3.7 1.4 91 34 F L H < S+ 0 0 13 -4,-2.1 7,-0.3 1,-0.2 -1,-0.2 0.875 112.2 42.5 -60.5 -38.3 107.6 5.9 1.7 92 35 F H H < S+ 0 0 132 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.819 102.1 67.5 -76.9 -35.9 106.2 8.0 -1.3 93 36 F D H < S- 0 0 93 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.865 124.2 -0.3 -54.4 -39.6 102.6 8.1 -0.1 94 37 F D >X - 0 0 62 -4,-1.3 4,-0.9 1,-0.1 3,-0.7 -0.832 59.4-154.2-156.2 111.6 103.6 10.3 2.9 95 38 F P H >> S+ 0 0 30 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.849 99.2 55.8 -53.6 -38.9 107.1 11.5 3.7 96 39 F S H >> S+ 0 0 83 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.857 104.3 54.0 -63.7 -35.7 106.3 11.8 7.4 97 40 F Q H <> S+ 0 0 86 -3,-0.7 4,-3.7 1,-0.2 5,-0.3 0.723 85.6 84.1 -70.1 -24.8 105.2 8.2 7.5 98 41 F S H