==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 21-JUL-04 1U39 . COMPND 2 MOLECULE: AMYLOID BETA A4 PRECURSOR PROTEIN-BINDING, . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.FENG,J.-F.LONG,L.-N.CHAN,C.HE,A.FU,J.XIA,N.Y.IP,M.ZHANG . 80 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5037.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 75.0 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 25.0 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 . 2 2.5 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 . 17 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 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 . 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 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 79 A P 0 0 160 0, 0.0 2,-2.1 0, 0.0 77,-0.0 0.000 360.0 360.0 360.0 77.8 -6.9 -10.9 -13.5 2 80 A P + 0 0 98 0, 0.0 2,-0.5 0, 0.0 75,-0.0 -0.298 360.0 154.0 -78.4 55.7 -8.3 -8.6 -10.7 3 81 A V - 0 0 60 -2,-2.1 2,-0.4 75,-0.1 75,-0.2 -0.759 28.7-156.1 -90.9 126.3 -4.9 -7.0 -10.2 4 82 A T E -A 77 0A 47 73,-1.9 73,-1.7 -2,-0.5 2,-0.7 -0.818 7.5-142.0-103.7 141.5 -4.9 -3.5 -8.7 5 83 A T E -A 76 0A 75 -2,-0.4 2,-0.9 71,-0.2 71,-0.2 -0.889 12.0-148.7-105.6 111.3 -2.1 -1.0 -9.1 6 84 A V E -A 75 0A 0 69,-1.5 69,-1.3 -2,-0.7 2,-0.9 -0.687 16.0-178.3 -82.7 106.1 -1.5 1.1 -6.0 7 85 A L E -A 74 0A 78 -2,-0.9 67,-0.2 31,-0.5 2,-0.2 -0.758 12.8-175.2-105.5 84.0 -0.3 4.5 -7.1 8 86 A I E -A 73 0A 0 65,-2.3 65,-1.0 -2,-0.9 2,-0.6 -0.481 19.8-134.0 -81.5 151.3 0.3 6.3 -3.8 9 87 A R E +A 72 0A 107 63,-0.2 63,-0.2 -2,-0.2 25,-0.1 -0.923 23.5 177.8-110.1 114.9 1.3 10.0 -3.6 10 88 A R E +A 71 0A 8 61,-3.1 61,-3.2 -2,-0.6 7,-0.0 -0.888 10.8 173.3-120.6 100.9 4.2 10.8 -1.2 11 89 A P S S+ 0 0 97 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.770 74.1 2.5 -74.5 -26.7 5.2 14.5 -1.1 12 90 A D S S- 0 0 80 3,-0.1 59,-0.2 57,-0.1 3,-0.2 -0.684 75.2-104.1-141.4-166.0 7.6 13.9 1.8 13 91 A L S S+ 0 0 98 -2,-0.2 56,-0.1 1,-0.1 -1,-0.0 0.619 111.4 60.5-102.6 -19.7 9.0 11.3 4.1 14 92 A R S S+ 0 0 174 1,-0.1 2,-0.7 2,-0.1 -1,-0.1 0.105 81.5 100.8 -95.1 21.8 6.9 12.1 7.2 15 93 A Y - 0 0 103 -3,-0.2 -3,-0.1 52,-0.1 -1,-0.1 -0.862 67.9-143.6-112.3 98.7 3.7 11.5 5.3 16 94 A Q - 0 0 130 -2,-0.7 18,-0.5 1,-0.1 19,-0.1 -0.214 7.4-137.4 -58.0 146.8 2.3 8.0 6.2 17 95 A L - 0 0 14 2,-0.2 18,-2.1 16,-0.1 17,-0.6 0.958 41.4-109.5 -71.8 -52.5 0.5 6.2 3.4 18 96 A G S S+ 0 0 5 1,-0.4 12,-2.0 15,-0.2 2,-0.3 0.650 80.2 55.1 124.9 36.8 -2.4 4.9 5.4 19 97 A F E -C 29 0B 35 10,-0.2 -1,-0.4 16,-0.0 2,-0.3 -0.972 67.9-112.6-177.4 169.2 -2.1 1.2 5.8 20 98 A S E - 0 0 58 8,-1.1 7,-1.8 -2,-0.3 2,-0.4 -0.906 20.8-145.4-120.7 148.2 0.2 -1.7 7.1 21 99 A V E -C 26 0B 11 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.901 8.3-169.3-115.3 142.8 1.9 -4.4 5.1 22 100 A Q E > -C 25 0B 120 3,-2.7 2,-3.3 -2,-0.4 3,-2.2 -0.780 65.0 -69.0-132.1 88.4 2.5 -8.0 6.2 23 101 A N T 3 S- 0 0 70 -2,-0.4 34,-0.5 1,-0.3 3,-0.1 -0.322 122.5 -14.4 65.4 -68.5 4.9 -9.8 3.9 24 102 A G T 3 S+ 0 0 2 -2,-3.3 22,-0.4 1,-0.1 2,-0.3 0.382 125.4 71.4-142.9 -2.2 2.4 -9.9 1.0 25 103 A I E < S-C 22 0B 46 -3,-2.2 -3,-2.7 20,-0.3 20,-0.2 -0.904 71.9-121.8-122.9 151.4 -0.9 -9.0 2.6 26 104 A I E -C 21 0B 10 18,-0.8 -5,-0.2 -2,-0.3 3,-0.1 -0.483 17.1-169.1 -86.5 158.3 -2.4 -5.8 4.0 27 105 A C E - 0 0 61 -7,-1.8 2,-0.2 1,-0.4 -1,-0.1 0.770 59.5 -6.3-109.6 -71.7 -3.7 -5.4 7.5 28 106 A S E - 0 0 75 -8,-0.1 -8,-1.1 2,-0.0 -1,-0.4 -0.744 54.9-150.1-125.2 173.6 -5.6 -2.2 8.1 29 107 A L E -C 19 0B 58 -2,-0.2 2,-0.6 -10,-0.2 -10,-0.2 -0.996 9.9-140.0-148.5 140.6 -6.4 1.0 6.2 30 108 A M > - 0 0 124 -12,-2.0 2,-2.1 -2,-0.3 3,-1.9 -0.894 21.3-131.8-106.2 114.2 -7.1 4.6 7.2 31 109 A R T 3 S+ 0 0 245 -2,-0.6 3,-0.1 1,-0.2 -13,-0.1 -0.389 98.9 41.2 -63.6 82.7 -9.9 6.4 5.3 32 110 A G T 3 S+ 0 0 55 -2,-2.1 -1,-0.2 1,-0.3 -14,-0.1 0.115 84.1 106.4 167.0 -31.4 -7.9 9.5 4.6 33 111 A G S X S- 0 0 16 -3,-1.9 3,-0.7 -15,-0.2 4,-0.4 -0.049 79.7-109.6 -64.3 172.5 -4.4 8.5 3.7 34 112 A I T >> S+ 0 0 28 -17,-0.6 4,-1.9 -18,-0.5 3,-0.6 0.662 108.0 80.8 -78.6 -16.7 -3.0 8.7 0.1 35 113 A A H 3>>S+ 0 0 0 -18,-2.1 4,-1.7 1,-0.2 5,-0.6 0.820 84.2 63.4 -58.0 -30.3 -3.0 4.8 -0.1 36 114 A E H <45S+ 0 0 94 -3,-0.7 -1,-0.2 -19,-0.3 -2,-0.2 0.920 104.0 44.9 -60.0 -46.6 -6.7 5.1 -0.8 37 115 A R H <45S+ 0 0 169 -3,-0.6 -30,-0.2 -4,-0.4 -2,-0.2 0.925 111.1 54.6 -65.0 -46.2 -6.1 6.9 -4.1 38 116 A G H <5S- 0 0 13 -4,-1.9 -31,-0.5 -32,-0.2 -2,-0.2 0.974 117.3 -99.3 -51.1 -73.6 -3.3 4.6 -5.2 39 117 A G T <5 + 0 0 15 -4,-1.7 -33,-0.2 -33,-0.3 -3,-0.1 0.230 62.9 151.6 170.5 -20.1 -5.1 1.3 -4.9 40 118 A V < - 0 0 6 -5,-0.6 2,-0.6 1,-0.1 -1,-0.1 -0.054 24.8-167.9 -37.6 114.9 -4.1 -0.3 -1.7 41 119 A R > - 0 0 143 -37,-0.1 3,-2.7 -12,-0.0 2,-0.3 -0.891 23.4-127.5-117.5 101.0 -7.0 -2.6 -0.7 42 120 A V T 3 S+ 0 0 60 -2,-0.6 -13,-0.1 1,-0.3 3,-0.1 -0.226 101.0 35.4 -48.1 101.8 -6.9 -3.9 2.9 43 121 A G T 3 S+ 0 0 33 -2,-0.3 37,-0.7 1,-0.2 -1,-0.3 0.230 95.8 100.6 133.4 -10.2 -7.3 -7.6 2.2 44 122 A H E < S-B 79 0A 39 -3,-2.7 -18,-0.8 36,-0.2 2,-0.3 0.044 74.5-108.6 -86.1-161.6 -5.5 -8.0 -1.1 45 123 A R E -B 78 0A 91 33,-2.7 33,-2.7 -20,-0.2 -20,-0.3 -0.747 26.7-152.3-139.4 90.4 -2.0 -9.4 -1.7 46 124 A I E +B 77 0A 0 -22,-0.4 31,-0.3 -2,-0.3 3,-0.1 -0.114 29.9 148.7 -56.0 157.1 0.7 -6.8 -2.7 47 125 A I + 0 0 9 29,-2.5 7,-3.9 7,-0.1 2,-1.5 0.153 52.4 47.3-151.5 -84.5 3.6 -8.1 -4.8 48 126 A E E -D 53 0C 88 5,-0.3 2,-0.9 6,-0.1 28,-0.5 -0.588 63.2-178.4 -80.0 88.2 5.5 -6.1 -7.4 49 127 A I E > S-D 52 0C 0 3,-3.3 3,-2.0 -2,-1.5 26,-0.3 -0.768 75.1 -34.6 -92.4 103.1 6.2 -2.8 -5.6 50 128 A N T 3 S- 0 0 56 24,-2.8 -1,-0.2 -2,-0.9 25,-0.1 0.694 130.5 -40.4 59.8 18.6 8.0 -0.5 -8.0 51 129 A G T 3 S+ 0 0 67 1,-0.3 2,-0.6 23,-0.2 -1,-0.3 0.172 117.5 109.7 116.6 -17.2 9.6 -3.6 -9.4 52 130 A Q E < -D 49 0C 49 -3,-2.0 -3,-3.3 1,-0.0 2,-1.4 -0.835 63.7-139.3 -97.9 119.6 10.3 -5.5 -6.2 53 131 A S E > +D 48 0C 65 -2,-0.6 3,-1.0 -5,-0.3 -5,-0.3 -0.614 22.9 177.7 -79.1 93.2 8.1 -8.6 -5.7 54 132 A V G > + 0 0 0 -7,-3.9 3,-2.8 -2,-1.4 -1,-0.2 0.524 55.9 103.1 -72.6 -5.4 7.3 -8.4 -2.0 55 133 A V G 3 S+ 0 0 62 1,-0.3 -1,-0.2 -8,-0.1 -8,-0.1 0.842 99.3 22.0 -45.4 -38.5 5.2 -11.6 -2.4 56 134 A A G < S+ 0 0 85 -3,-1.0 -1,-0.3 -9,-0.1 -2,-0.1 -0.038 107.5 107.2-120.1 28.2 8.0 -13.5 -0.8 57 135 A T S < S- 0 0 22 -3,-2.8 5,-0.1 -34,-0.5 -3,-0.0 -0.866 74.6-101.4-110.7 143.2 9.6 -10.5 1.0 58 136 A P > - 0 0 75 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.006 27.8-119.3 -53.4 164.2 9.4 -9.8 4.8 59 137 A H H > S+ 0 0 98 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.924 111.0 56.2 -74.0 -46.9 7.0 -7.2 6.2 60 138 A E H > S+ 0 0 133 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.841 106.2 54.0 -54.2 -35.1 9.6 -4.9 7.7 61 139 A K H > S+ 0 0 116 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.942 108.4 46.5 -66.0 -48.9 11.2 -4.7 4.2 62 140 A I H X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.2 5,-0.3 0.931 111.8 51.2 -59.5 -46.4 8.0 -3.6 2.5 63 141 A V H X S+ 0 0 69 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.834 105.5 59.7 -59.5 -32.5 7.3 -1.0 5.2 64 142 A H H X S+ 0 0 114 -4,-1.4 4,-1.9 -5,-0.3 -2,-0.2 0.963 105.2 45.4 -61.5 -54.2 10.9 0.2 4.6 65 143 A I H >< S+ 0 0 44 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.968 119.2 41.1 -53.4 -57.9 10.3 1.1 1.0 66 144 A L H >< S+ 0 0 10 -4,-2.1 3,-0.8 1,-0.3 -1,-0.2 0.822 112.0 58.0 -60.4 -30.1 7.0 2.8 1.7 67 145 A S H 3< S+ 0 0 59 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.805 123.9 23.0 -69.4 -28.5 8.7 4.3 4.8 68 146 A N T << S+ 0 0 101 -4,-1.9 2,-0.9 -3,-0.9 -1,-0.2 -0.111 91.1 119.5-128.2 34.5 11.3 5.8 2.5 69 147 A A < - 0 0 13 -3,-0.8 4,-0.2 -56,-0.1 2,-0.2 -0.688 41.5-177.6-103.6 79.2 9.4 5.9 -0.8 70 148 A V + 0 0 83 -2,-0.9 2,-0.8 2,-0.1 -57,-0.1 -0.485 55.3 19.9 -77.3 146.2 9.2 9.6 -1.7 71 149 A G E S-A 10 0A 37 -61,-3.2 -61,-3.1 -59,-0.2 2,-0.3 -0.855 122.4 -15.0 105.4-104.7 7.4 10.7 -4.8 72 150 A E E -A 9 0A 118 -2,-0.8 2,-0.4 -63,-0.2 -63,-0.2 -0.916 57.9-145.1-145.6 114.7 4.8 8.2 -6.0 73 151 A I E -A 8 0A 2 -65,-1.0 -65,-2.3 -2,-0.3 2,-0.5 -0.654 17.2-172.2 -81.9 128.1 4.7 4.5 -4.9 74 152 A H E +A 7 0A 100 -2,-0.4 -24,-2.8 -67,-0.2 2,-0.3 -0.966 18.9 144.5-125.5 115.8 3.6 2.1 -7.7 75 153 A M E -A 6 0A 2 -69,-1.3 -69,-1.5 -2,-0.5 2,-0.3 -0.868 38.5-120.6-141.2 175.0 2.8 -1.5 -6.9 76 154 A K E -A 5 0A 83 -28,-0.5 -29,-2.5 -2,-0.3 2,-0.4 -0.910 21.6-169.0-121.4 147.8 0.6 -4.4 -7.8 77 155 A T E -AB 4 46A 0 -73,-1.7 -73,-1.9 -2,-0.3 -31,-0.3 -0.999 3.2-160.6-140.7 140.5 -1.7 -6.4 -5.5 78 156 A M E - B 0 45A 78 -33,-2.7 -33,-2.7 -2,-0.4 2,-0.7 -0.502 38.2 -82.3-108.7 178.9 -3.7 -9.7 -6.0 79 157 A P E B 0 44A 86 0, 0.0 -35,-0.2 0, 0.0 -76,-0.0 -0.759 360.0 360.0 -89.9 111.0 -6.7 -11.2 -4.1 80 158 A A 0 0 102 -2,-0.7 -36,-0.2 -37,-0.7 -35,-0.1 0.840 360.0 360.0 -95.6 360.0 -5.7 -13.0 -0.9