==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 25-AUG-11 2LI9 . COMPND 2 MOLECULE: AMYLOID BETA A4 PROTEIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR V.POLSHAKOV,A.ISTRATE,S.KOZIN,A.MAKAROV . 32 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2589.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 10 31.2 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 . 0 0.0 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 . 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 . 2 6.2 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 . 2 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 6.2 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 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 D 0 0 119 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.6 29.9 14.1 22.3 2 2 A A >> + 0 0 1 4,-0.1 3,-1.9 17,-0.0 4,-1.6 0.343 360.0 96.7-163.1 -19.8 26.2 15.3 22.6 3 3 A E T 34 + 0 0 71 1,-0.3 5,-0.0 2,-0.3 0, 0.0 0.591 65.0 83.0 -71.3 -11.1 23.9 13.1 20.3 4 4 A F T 34 S+ 0 0 167 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.655 121.7 8.3 -59.2 -18.9 22.9 10.8 23.2 5 5 A G T <4 S+ 0 0 30 -3,-1.9 2,-0.6 1,-0.1 11,-0.3 0.425 117.2 94.1-129.1 -16.0 20.4 13.7 23.9 6 6 A H < + 0 0 29 -4,-1.6 -4,-0.1 1,-0.2 3,-0.1 -0.763 22.2 145.7 -95.3 121.2 20.9 15.8 20.7 7 7 A D S S- 0 0 45 -2,-0.6 -1,-0.2 1,-0.3 2,-0.1 0.746 81.5 -58.3-101.1 -62.7 18.8 15.5 17.6 8 8 A S - 0 0 26 18,-0.1 -1,-0.3 4,-0.0 6,-0.2 -0.338 51.1-178.4-147.5-128.5 18.8 19.3 16.7 9 9 A G + 0 0 0 4,-0.2 22,-2.6 3,-0.2 5,-0.2 0.572 35.8 127.6 136.0 16.7 17.6 22.3 18.8 10 10 A F S S- 0 0 134 20,-0.2 3,-0.1 3,-0.1 20,-0.1 0.707 100.3 -29.1 -79.7 -24.6 18.1 25.5 16.7 11 11 A E S S+ 0 0 147 1,-1.1 2,-0.3 15,-0.1 15,-0.0 0.169 136.8 67.7-159.1 -54.7 14.5 27.0 17.0 12 12 A V S S- 0 0 56 1,-0.0 -1,-1.1 18,-0.0 2,-0.2 -0.578 95.4-127.2 -51.0 129.6 12.6 23.8 17.4 13 13 A R - 0 0 108 -2,-0.3 14,-0.2 1,-0.2 -4,-0.2 -0.610 45.1 -57.8 -86.0 156.4 13.8 22.6 20.8 14 14 A H - 0 0 41 12,-2.3 -1,-0.2 -2,-0.2 -8,-0.1 0.041 49.1-164.1 -36.8 128.0 15.2 19.0 21.4 15 15 A Q 0 0 136 -3,-0.1 -1,-0.1 1,-0.1 -9,-0.1 0.640 360.0 360.0-100.8 -23.6 12.6 16.4 20.3 16 16 A K 0 0 165 -11,-0.3 -1,-0.1 0, 0.0 -2,-0.1 -0.613 360.0 360.0 -81.3 360.0 13.9 13.2 21.9 17 !* 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 18 1 B D 0 0 104 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.4 29.7 15.0 17.6 19 2 B A >> + 0 0 8 4,-0.1 3,-2.0 -11,-0.0 4,-1.0 0.260 360.0 100.9-145.6 -7.4 27.3 18.0 17.9 20 3 B E T 34 + 0 0 108 1,-0.3 13,-0.0 2,-0.2 -18,-0.0 0.692 65.9 75.8 -56.7 -27.0 29.0 19.7 21.0 21 4 B F T 34 S+ 0 0 154 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.725 120.4 13.3 -56.8 -26.1 30.7 22.2 18.6 22 5 B G T <4 S+ 0 0 17 -3,-2.0 2,-0.6 1,-0.0 -2,-0.2 0.319 112.9 95.7-127.2 -2.9 27.2 23.9 18.4 23 6 B H < + 0 0 39 -4,-1.0 3,-0.1 10,-0.2 -4,-0.1 -0.876 21.9 139.5-102.1 120.6 25.5 22.1 21.3 24 7 B D S S- 0 0 61 -2,-0.6 2,-0.2 1,-0.2 -1,-0.2 0.524 84.2 -52.8-115.3 -30.2 25.3 23.8 24.7 25 8 B S - 0 0 8 -16,-0.1 6,-0.2 3,-0.0 -1,-0.2 -0.672 47.0-176.8-177.9-134.2 21.7 22.7 25.5 26 9 B G + 0 0 0 3,-0.4 -12,-2.3 4,-0.3 5,-0.2 0.478 51.5 111.2 125.0 10.6 18.4 23.2 23.4 27 10 B F S S- 0 0 150 -14,-0.2 3,-0.2 3,-0.2 -14,-0.1 0.555 102.5 -13.2 -92.7 -12.8 15.8 21.8 25.8 28 11 B E S S+ 0 0 163 1,-1.6 2,-0.3 2,-0.0 -15,-0.1 0.252 141.2 47.9-162.0 -54.2 13.8 24.9 26.8 29 12 B V S S- 0 0 54 1,-0.1 -1,-1.6 -16,-0.0 -3,-0.4 -0.733 97.1-123.4 -73.2 145.6 16.1 27.6 25.6 30 13 B R - 0 0 126 -2,-0.3 -4,-0.3 1,-0.2 -20,-0.2 -0.302 54.6 -47.2 -78.2 177.3 17.1 26.7 22.0 31 14 B H + 0 0 29 -22,-2.6 -1,-0.2 -5,-0.2 -8,-0.1 -0.206 50.4 177.2 -52.1 130.7 20.8 26.4 21.0 32 15 B Q 0 0 138 -3,-0.1 -1,-0.1 -10,-0.1 -9,-0.1 0.724 360.0 360.0-108.4 -36.3 23.0 29.3 22.2 33 16 B K 0 0 155 -11,-0.2 -10,-0.2 -13,-0.0 -2,-0.1 0.605 360.0 360.0 -81.1 360.0 26.3 27.9 20.9