==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 09-MAR-99 1MWP . COMPND 2 MOLECULE: AMYLOID A4 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.ROSSJOHN,R.CAPPAI,S.C.FEIL,A.HENRY,W.J.MCKINSTRY, . 96 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 52 54.2 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 . 27 28.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 11.5 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 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 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 28 A L 0 0 221 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.1 40.1 8.1 11.0 2 29 A L - 0 0 125 1,-0.1 19,-0.2 20,-0.0 18,-0.1 -0.654 360.0-118.6-101.5 156.3 36.8 9.0 12.5 3 30 A A - 0 0 35 17,-2.3 17,-0.1 -2,-0.2 -1,-0.1 -0.293 45.5 -84.9 -79.6 170.6 35.2 12.4 13.4 4 31 A E - 0 0 74 15,-0.1 2,-0.2 1,-0.1 14,-0.1 -0.634 39.2-114.5 -85.8 133.9 34.3 13.2 17.0 5 32 A P + 0 0 18 0, 0.0 85,-2.4 0, 0.0 2,-0.3 -0.427 56.1 140.4 -65.8 130.7 31.0 12.1 18.5 6 33 A Q E -A 89 0A 23 83,-0.3 12,-2.5 12,-0.2 2,-0.3 -0.978 38.3-140.3-165.7 158.9 28.8 15.2 19.4 7 34 A I E -AB 88 17A 0 81,-2.4 81,-3.1 -2,-0.3 2,-0.4 -0.899 11.0-159.2-127.0 155.0 25.3 16.5 19.3 8 35 A A E - B 0 16A 0 8,-2.8 8,-2.9 -2,-0.3 2,-0.4 -0.997 7.7-157.0-136.9 141.2 23.9 19.9 18.4 9 36 A M + 0 0 35 -2,-0.4 2,-0.3 77,-0.3 77,-0.1 -0.928 19.6 171.2-127.7 146.6 20.6 21.5 19.2 10 37 A F > - 0 0 69 3,-0.5 3,-2.2 -2,-0.4 25,-0.2 -0.839 39.1-122.3-149.2 102.3 18.3 24.2 17.9 11 38 A a T 3 S+ 0 0 90 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.192 99.2 34.5 -50.6 132.7 14.9 24.4 19.5 12 39 A G T 3 S+ 0 0 59 1,-0.3 2,-0.3 23,-0.1 -1,-0.3 0.173 113.1 71.4 104.6 -13.9 12.1 24.0 17.0 13 40 A R S < S- 0 0 22 -3,-2.2 22,-0.5 59,-0.1 -3,-0.5 -0.916 92.7 -93.5-131.1 156.0 14.2 21.6 15.0 14 41 A L B -E 34 0B 7 57,-2.7 57,-0.3 -2,-0.3 20,-0.3 -0.364 52.9 -94.1 -68.2 150.4 15.3 18.0 15.6 15 42 A N - 0 0 0 18,-3.0 13,-0.9 -6,-0.1 2,-0.3 -0.272 37.2-144.7 -64.2 149.2 18.7 17.4 17.2 16 43 A M E -BC 8 27A 2 -8,-2.9 -8,-2.8 11,-0.2 2,-0.3 -0.779 15.2-171.6-112.4 158.4 21.7 16.9 15.0 17 44 A H E -BC 7 26A 18 9,-2.2 9,-3.0 -2,-0.3 2,-0.4 -0.987 30.2 -96.7-148.3 155.4 24.7 14.6 15.6 18 45 A M E - C 0 25A 15 -12,-2.5 2,-1.1 -2,-0.3 -12,-0.2 -0.597 23.5-142.4 -78.9 125.3 28.1 14.0 14.1 19 46 A N > - 0 0 38 5,-3.1 4,-2.7 -2,-0.4 5,-0.4 -0.782 15.2-162.5 -83.4 102.7 28.3 11.0 11.7 20 47 A V T 4 S+ 0 0 34 -2,-1.1 -17,-2.3 1,-0.2 -1,-0.2 0.769 83.2 59.0 -61.2 -25.1 31.8 9.9 12.8 21 48 A Q T 4 S+ 0 0 148 -19,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.899 125.2 12.6 -71.2 -44.2 32.1 7.8 9.7 22 49 A N T 4 S- 0 0 71 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.1 0.438 95.6-121.6-115.7 -2.5 31.7 10.6 7.1 23 50 A G < + 0 0 30 -4,-2.7 2,-0.2 1,-0.2 -3,-0.1 0.650 68.4 126.7 72.9 14.0 32.0 13.7 9.2 24 51 A K - 0 0 123 -5,-0.4 -5,-3.1 -21,-0.0 2,-0.6 -0.681 65.5-110.1-102.6 159.4 28.6 15.1 8.3 25 52 A W E -C 18 0A 42 -2,-0.2 2,-0.3 -7,-0.2 -7,-0.2 -0.789 36.5-165.1 -89.5 122.4 25.8 16.2 10.7 26 53 A D E -C 17 0A 55 -9,-3.0 -9,-2.2 -2,-0.6 2,-0.0 -0.786 17.7-115.9-106.3 151.9 22.9 13.8 10.6 27 54 A S E -C 16 0A 11 -2,-0.3 -11,-0.2 -11,-0.2 -12,-0.1 -0.236 54.4 -60.7 -78.5 172.3 19.4 14.4 12.0 28 55 A D > - 0 0 0 -13,-0.9 3,-1.0 5,-0.2 -1,-0.2 -0.355 43.6-140.3 -58.8 118.7 17.8 12.5 14.9 29 56 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.824 103.3 42.0 -47.8 -42.5 17.5 8.8 14.0 30 57 A S T 3 S- 0 0 62 1,-0.0 44,-0.1 3,-0.0 -2,-0.1 0.679 103.9-133.2 -81.2 -17.2 14.0 8.4 15.6 31 58 A G S < S+ 0 0 1 -3,-1.0 43,-3.0 -16,-0.1 44,-0.4 0.686 85.6 84.7 73.1 20.1 12.9 11.7 14.1 32 59 A T + 0 0 51 41,-0.2 2,-0.4 42,-0.1 41,-0.1 0.625 55.1 99.9-124.5 -22.3 11.5 12.8 17.4 33 60 A K + 0 0 75 -18,-0.1 -18,-3.0 12,-0.0 -5,-0.2 -0.594 41.7 170.3 -80.8 124.1 14.2 14.4 19.7 34 61 A T B -E 14 0B 65 -2,-0.4 -20,-0.2 -20,-0.3 -23,-0.1 -0.473 47.3 -31.0-114.9-172.4 14.5 18.1 19.9 35 62 A a - 0 0 42 -22,-0.5 2,-0.4 -25,-0.2 -1,-0.2 -0.009 55.8-151.9 -47.9 139.1 16.5 20.5 22.1 36 63 A I - 0 0 41 -3,-0.1 -1,-0.1 1,-0.1 -25,-0.1 -0.911 10.0-161.8-115.5 140.3 17.3 19.4 25.7 37 64 A D + 0 0 156 -2,-0.4 2,-0.4 4,-0.0 -1,-0.1 0.381 65.8 69.7-106.2 6.5 17.8 21.7 28.7 38 65 A T S > S- 0 0 65 1,-0.1 4,-1.7 0, 0.0 5,-0.1 -0.931 73.3-131.9-123.8 149.2 19.6 19.5 31.2 39 66 A K H > S+ 0 0 108 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.885 110.5 53.4 -62.3 -38.6 23.1 18.1 31.2 40 67 A E H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.884 107.4 50.7 -63.5 -40.0 21.7 14.6 32.1 41 68 A G H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.863 109.5 51.2 -66.4 -34.7 19.3 14.8 29.2 42 69 A I H X S+ 0 0 3 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.899 109.2 50.0 -69.6 -40.5 22.2 15.6 26.9 43 70 A L H X S+ 0 0 39 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.928 110.4 50.3 -63.3 -44.6 24.2 12.7 28.1 44 71 A Q H X S+ 0 0 119 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.908 110.2 50.4 -60.7 -41.0 21.3 10.4 27.6 45 72 A Y H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.914 107.7 52.4 -63.5 -42.9 20.9 11.7 24.1 46 73 A b H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.923 111.4 47.9 -56.4 -44.4 24.6 11.2 23.3 47 74 A Q H < S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.796 109.3 54.8 -67.2 -28.5 24.1 7.6 24.5 48 75 A E H < S+ 0 0 76 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.901 115.8 35.1 -72.3 -43.0 21.0 7.2 22.4 49 76 A V H < S+ 0 0 18 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.669 126.6 39.9 -86.3 -17.5 22.7 8.2 19.1 50 77 A Y S >< S+ 0 0 18 -4,-1.8 3,-1.4 -5,-0.3 5,-0.5 -0.556 71.9 163.9-128.5 66.0 26.1 6.6 20.0 51 78 A P T 3 S+ 0 0 87 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.720 74.2 40.2 -55.9 -31.3 24.8 3.4 21.6 52 79 A E T 3 S+ 0 0 168 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.280 93.3 84.5-106.8 13.0 28.1 1.4 21.4 53 80 A L S < S- 0 0 66 -3,-1.4 40,-0.3 -6,-0.1 -1,-0.2 0.365 89.9-125.4 -97.1 5.5 30.6 4.2 22.3 54 81 A Q - 0 0 108 -3,-0.3 39,-3.3 1,-0.2 2,-0.5 0.922 36.2-172.1 51.7 48.7 30.4 4.1 26.1 55 82 A I E +D 92 0A 6 -5,-0.5 37,-0.3 37,-0.3 -1,-0.2 -0.624 18.1 161.9 -74.1 123.8 29.5 7.8 26.4 56 83 A T E + 0 0 62 35,-2.6 2,-0.3 -2,-0.5 -1,-0.2 0.462 58.0 20.6-121.8 -6.9 29.7 8.7 30.1 57 84 A N E -D 91 0A 67 34,-1.3 34,-2.7 -14,-0.1 2,-0.3 -0.969 58.3-149.9-155.1 167.4 29.9 12.5 30.1 58 85 A V E +D 90 0A 2 -2,-0.3 2,-0.3 32,-0.2 32,-0.2 -0.972 11.4 178.5-141.8 152.9 29.3 15.6 27.9 59 86 A V E -D 89 0A 61 30,-1.5 30,-3.1 -2,-0.3 -2,-0.0 -0.971 38.1 -96.8-155.5 142.9 30.9 19.0 27.6 60 87 A E E -D 88 0A 107 -2,-0.3 28,-0.3 28,-0.2 -2,-0.0 -0.323 46.5-114.0 -60.5 137.6 30.3 22.1 25.4 61 88 A A - 0 0 17 26,-3.3 -1,-0.1 2,-0.1 -55,-0.0 -0.242 16.6-121.8 -69.4 164.9 32.6 22.2 22.4 62 89 A N S S+ 0 0 141 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 0.830 91.0 46.2 -77.5 -35.8 35.2 25.0 22.1 63 90 A Q S S- 0 0 141 22,-0.0 -2,-0.1 24,-0.0 2,-0.1 -0.865 82.1-118.8-115.9 145.8 34.0 26.4 18.8 64 91 A P - 0 0 65 0, 0.0 2,-0.4 0, 0.0 22,-0.3 -0.443 33.2-147.5 -72.7 154.3 30.5 27.3 17.5 65 92 A V E -F 85 0C 39 20,-3.3 20,-2.1 -2,-0.1 2,-0.5 -0.989 8.3-137.4-132.6 132.1 29.5 25.2 14.4 66 93 A T E -F 84 0C 85 -2,-0.4 2,-0.4 18,-0.3 18,-0.3 -0.728 28.0-174.1 -85.9 129.5 27.3 26.2 11.4 67 94 A I E -F 83 0C 3 16,-2.5 16,-2.1 -2,-0.5 2,-0.2 -0.993 7.7-166.1-130.8 134.2 25.0 23.3 10.5 68 95 A Q + 0 0 100 -2,-0.4 12,-0.2 14,-0.2 13,-0.1 -0.599 61.9 49.4-108.4 171.4 22.6 23.0 7.5 69 96 A N + 0 0 79 10,-0.4 2,-0.2 -2,-0.2 11,-0.2 0.853 62.7 175.2 69.1 38.7 19.8 20.6 6.9 70 97 A W E -G 79 0D 3 9,-0.6 9,-0.7 11,-0.5 2,-0.2 -0.569 16.0-153.2 -74.3 140.5 17.9 20.9 10.2 71 98 A c E - 0 0 6 -57,-0.3 -57,-2.7 7,-0.2 2,-0.3 -0.653 10.0-135.5-113.0 169.1 14.6 18.9 10.1 72 99 A K E >> -G 76 0D 72 4,-3.0 4,-2.1 1,-0.3 3,-0.8 -0.710 63.8 -34.9-114.0 167.2 11.3 19.0 11.7 73 100 A R G >4 S+ 0 0 165 -2,-0.3 3,-0.8 1,-0.2 -1,-0.3 0.268 133.1 20.4 -24.4 134.8 9.4 15.9 13.2 74 101 A G G 34 S- 0 0 52 -43,-3.0 -1,-0.2 1,-0.2 -42,-0.1 0.591 127.0 -79.5 74.8 10.2 9.9 12.7 11.2 75 102 A R G <4 S+ 0 0 123 -3,-0.8 3,-0.3 -44,-0.4 -1,-0.2 0.864 95.5 144.1 62.7 36.8 13.1 14.2 9.7 76 103 A K E << +G 72 0D 82 -4,-2.1 -4,-3.0 -3,-0.8 -1,-0.2 -0.611 46.6 23.8-104.4 164.6 10.8 16.0 7.3 77 104 A Q E S- 0 0 106 -2,-0.2 2,-1.6 1,-0.2 -1,-0.2 0.897 71.8-176.0 47.9 50.1 11.0 19.5 5.8 78 105 A c E - 0 0 53 -3,-0.3 -7,-0.2 -7,-0.1 -1,-0.2 -0.579 8.3-161.0 -79.1 85.9 14.8 19.6 6.3 79 106 A K E -G 70 0D 122 -2,-1.6 -9,-0.6 -9,-0.7 -10,-0.4 -0.286 17.9-136.5 -63.8 153.8 15.6 23.1 5.1 80 107 A T + 0 0 93 -11,-0.2 -1,-0.1 -12,-0.2 -9,-0.1 0.276 59.1 131.6 -95.3 9.8 19.2 23.8 4.1 81 108 A H - 0 0 115 -11,-0.1 -11,-0.5 -13,-0.1 2,-0.3 -0.394 60.0-117.6 -63.8 136.9 19.3 27.1 5.9 82 109 A P + 0 0 56 0, 0.0 2,-0.4 0, 0.0 -14,-0.2 -0.580 33.3 176.6 -82.4 138.5 22.4 27.4 8.1 83 110 A H E -F 67 0C 54 -16,-2.1 -16,-2.5 -2,-0.3 2,-0.4 -0.998 16.7-148.4-135.3 128.4 22.2 27.8 11.9 84 111 A F E +F 66 0C 148 -2,-0.4 2,-0.3 -18,-0.3 -18,-0.3 -0.853 25.1 159.9-106.1 139.8 25.3 27.9 14.1 85 112 A V E -F 65 0C 21 -20,-2.1 -20,-3.3 -2,-0.4 -75,-0.1 -0.878 46.9 -98.9-142.7 171.4 25.3 26.6 17.6 86 113 A I - 0 0 66 -2,-0.3 -77,-0.3 -22,-0.3 -24,-0.0 -0.886 46.6-142.4 -97.0 112.3 27.8 25.4 20.2 87 114 A P - 0 0 0 0, 0.0 -26,-3.3 0, 0.0 2,-0.5 -0.230 6.9-122.5 -72.3 167.3 27.7 21.6 20.0 88 115 A Y E -AD 7 60A 54 -81,-3.1 -81,-2.4 -28,-0.3 2,-0.3 -0.957 22.5-135.2-111.4 121.3 28.0 19.2 23.0 89 116 A R E -AD 6 59A 75 -30,-3.1 -30,-1.5 -2,-0.5 2,-0.8 -0.595 12.8-136.4 -76.3 134.3 30.9 16.8 22.8 90 117 A b E - D 0 58A 2 -85,-2.4 2,-0.6 -2,-0.3 -32,-0.2 -0.850 23.2-145.5 -94.7 110.9 29.9 13.2 23.7 91 118 A L E - D 0 57A 44 -34,-2.7 -35,-2.6 -2,-0.8 -34,-1.3 -0.698 3.2-136.1 -88.7 119.9 32.8 12.0 26.0 92 119 A V E - D 0 55A 89 -2,-0.6 2,-0.3 -37,-0.3 -37,-0.3 -0.450 23.4-145.1 -68.3 135.9 33.8 8.3 25.8 93 120 A G - 0 0 10 -39,-3.3 2,-0.7 -40,-0.3 -1,-0.0 -0.777 5.6-135.5-107.2 153.0 34.3 6.8 29.3 94 121 A E - 0 0 176 -2,-0.3 2,-0.3 -38,-0.0 -40,-0.0 -0.919 20.8-146.2-107.7 112.1 36.8 4.2 30.4 95 122 A F 0 0 145 -2,-0.7 -41,-0.0 1,-0.0 -2,-0.0 -0.585 360.0 360.0 -79.1 137.4 35.3 1.6 32.7 96 123 A V 0 0 204 -2,-0.3 -1,-0.0 0, 0.0 0, 0.0 -0.675 360.0 360.0-103.9 360.0 37.5 0.2 35.4