==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN FIBRIL 05-FEB-13 2M4J . COMPND 2 MOLECULE: AMYLOID BETA A4 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.LU,W.QIANG,S.C.MEREDITH,W.YAU,C.D.SCHWEITERS,R.TYCKO . 360 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 48.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 21.7 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 . 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 . 37 10.3 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+3), 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+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 . 12 18 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 15 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 0 156 0, 0.0 2,-0.3 0, 0.0 124,-0.1 0.000 360.0 360.0 360.0-172.5 -15.6 -56.0 104.7 2 2 A A - 0 0 57 1,-0.0 124,-1.5 0, 0.0 2,-0.5 -0.605 360.0-164.3 -76.9 129.4 -17.2 -52.6 104.4 3 3 A E B -a 126 0A 155 -2,-0.3 124,-0.1 122,-0.2 3,-0.1 -0.933 5.6-156.4-119.6 107.4 -14.6 -49.7 104.1 4 4 A F - 0 0 107 122,-2.1 2,-0.2 -2,-0.5 125,-0.1 -0.149 41.3 -69.8 -72.9 172.4 -15.9 -46.1 104.7 5 5 A R - 0 0 162 123,-0.1 2,-0.5 1,-0.1 -1,-0.2 -0.463 47.5-140.8 -68.9 133.0 -14.2 -43.0 103.3 6 6 A H - 0 0 116 122,-0.2 2,-0.2 -2,-0.2 124,-0.1 -0.841 14.6-127.8 -98.7 127.8 -10.8 -42.2 104.8 7 7 A D + 0 0 0 122,-1.3 2,-0.2 -2,-0.5 125,-0.2 -0.478 47.4 134.7 -72.7 139.9 -10.0 -38.5 105.4 8 8 A S + 0 0 60 123,-0.2 101,-1.8 -2,-0.2 123,-0.1 -0.882 14.9 125.3-163.2-168.9 -6.6 -37.3 104.0 9 9 A G - 0 0 38 -2,-0.2 2,-0.1 99,-0.1 -1,-0.1 0.784 40.1-166.5 105.0 44.4 -4.8 -34.5 102.0 10 10 A Y - 0 0 132 1,-0.1 2,-0.2 124,-0.1 124,-0.1 -0.398 11.8-138.1 -64.1 132.8 -2.0 -33.4 104.4 11 11 A E + 0 0 46 121,-0.3 124,-0.8 -2,-0.1 2,-0.3 -0.617 21.8 179.5 -91.0 152.3 -0.2 -30.1 103.4 12 12 A V E -c 135 0B 93 -2,-0.2 2,-0.3 122,-0.2 124,-0.2 -0.949 2.1-179.5-153.0 128.1 3.5 -29.6 103.5 13 13 A H E +c 136 0B 60 122,-1.5 124,-1.6 -2,-0.3 2,-0.2 -0.983 12.2 162.6-135.3 147.4 5.5 -26.3 102.6 14 14 A H + 0 0 130 -2,-0.3 124,-0.2 122,-0.2 2,-0.1 -0.628 12.9 166.4-164.5 97.4 9.2 -25.3 102.5 15 15 A Q - 0 0 29 -2,-0.2 2,-0.1 22,-0.1 124,-0.1 -0.364 20.0-158.3-102.2-174.1 10.5 -22.3 100.6 16 16 A K + 0 0 156 122,-0.2 2,-0.3 -2,-0.1 124,-0.2 -0.579 23.5 161.3-169.8 95.7 13.8 -20.3 100.6 17 17 A L - 0 0 66 122,-0.3 124,-1.6 -2,-0.1 2,-0.4 -0.878 30.8-137.8-123.7 157.0 13.8 -16.7 99.3 18 18 A V E -e 141 0C 105 -2,-0.3 2,-0.4 122,-0.2 3,-0.1 -0.953 20.5-171.3-111.9 127.1 16.2 -13.6 99.7 19 19 A F E -e 142 0C 41 122,-2.5 124,-1.6 -2,-0.4 125,-0.3 -0.971 63.2 -15.0-126.9 123.1 14.6 -10.1 100.2 20 20 A F S S+ 0 0 65 -2,-0.4 124,-2.2 122,-0.2 -1,-0.2 0.986 71.6 166.6 53.4 74.8 16.6 -6.8 100.2 21 21 A A + 0 0 48 1,-0.3 124,-3.0 122,-0.2 2,-0.6 0.966 68.5 5.7 -79.9 -77.8 20.2 -8.1 100.4 22 22 A E B S+g 145 0D 153 122,-0.2 2,-0.3 121,-0.1 -1,-0.3 -0.892 92.5 122.1-114.0 100.8 22.5 -5.2 99.5 23 23 A D - 0 0 35 122,-2.0 124,-0.2 -2,-0.6 0, 0.0 -0.955 60.1-107.9-158.5 140.3 20.5 -1.9 99.1 24 24 A V - 0 0 28 -2,-0.3 23,-0.0 122,-0.2 121,-0.0 -0.134 27.0-133.0 -59.7 163.6 20.4 1.6 100.6 25 25 A G + 0 0 0 126,-0.0 124,-0.7 2,-0.0 3,-0.2 -0.301 46.9 151.6-117.9 47.5 17.4 2.4 102.8 26 26 A S - 0 0 33 1,-0.2 2,-2.2 123,-0.1 24,-0.1 0.231 69.3 -49.3 -61.2-168.0 16.3 5.7 101.5 27 27 A N S S- 0 0 26 22,-1.8 2,-0.2 124,-0.1 -1,-0.2 -0.456 72.8-174.0 -70.6 80.7 12.7 7.0 101.6 28 28 A K - 0 0 50 -2,-2.2 124,-1.9 -3,-0.2 3,-0.1 -0.541 21.9-118.4 -78.0 143.9 11.1 3.8 100.2 29 29 A G - 0 0 47 -2,-0.2 2,-0.6 1,-0.1 123,-0.4 0.185 45.4 -72.7 -63.8-167.3 7.4 3.8 99.4 30 30 A A - 0 0 31 122,-0.1 2,-0.4 121,-0.1 124,-0.2 -0.859 47.1-164.5 -99.8 114.7 4.9 1.5 101.2 31 31 A I + 0 0 63 -2,-0.6 124,-1.4 -3,-0.1 2,-0.2 -0.800 23.4 148.1 -98.4 135.8 5.2 -2.2 100.0 32 32 A I + 0 0 80 -2,-0.4 124,-0.2 122,-0.2 3,-0.1 -0.878 40.1 59.4-152.4-176.5 2.3 -4.5 100.8 33 33 A G S S+ 0 0 71 -2,-0.2 2,-0.4 1,-0.2 123,-0.1 0.549 72.5 147.6 63.4 4.9 0.2 -7.6 99.7 34 34 A L + 0 0 37 121,-0.5 124,-1.1 125,-0.0 2,-0.3 -0.590 12.9 141.5 -75.1 126.6 3.6 -9.3 99.8 35 35 A M E +i 158 0E 41 -2,-0.4 2,-0.3 122,-0.2 124,-0.2 -0.964 18.1 171.8-163.1 150.3 3.3 -13.0 100.7 36 36 A V E +i 159 0E 34 122,-0.8 124,-1.0 -2,-0.3 125,-0.2 -0.965 53.9 42.5-155.8 165.6 4.9 -16.4 99.7 37 37 A G S S+ 0 0 22 -2,-0.3 124,-1.7 122,-0.2 123,-0.4 0.981 109.6 24.0 55.9 66.9 5.0 -20.0 100.8 38 38 A G S S- 0 0 31 122,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.887 85.7 -79.8 143.8-173.1 1.2 -20.6 101.5 39 39 A V 0 0 72 -2,-0.3 124,-0.7 1,-0.2 -3,-0.1 -0.873 360.0 360.0-125.6 157.5 -2.3 -19.2 100.7 40 40 A V 0 0 79 -2,-0.3 123,-1.6 122,-0.2 -1,-0.2 0.991 360.0 360.0 65.6 360.0 -4.3 -16.2 101.9 41 !* 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 42 1 B D 0 0 156 0, 0.0 2,-0.4 0, 0.0 124,-0.1 0.000 360.0 360.0 360.0-173.4 37.6 12.8 98.4 43 2 B A - 0 0 59 1,-0.0 124,-1.6 0, 0.0 2,-0.5 -0.602 360.0-164.2 -76.4 128.7 35.4 9.7 98.5 44 3 B E B -k 167 0F 157 -2,-0.4 124,-0.1 122,-0.2 3,-0.1 -0.931 5.8-156.3-118.8 107.2 31.6 10.5 98.6 45 4 B F - 0 0 104 122,-2.0 2,-0.2 -2,-0.5 125,-0.1 -0.143 41.2 -69.7 -72.5 172.7 29.3 7.6 99.6 46 5 B R - 0 0 161 123,-0.1 2,-0.5 1,-0.1 -1,-0.2 -0.473 47.6-141.0 -69.1 132.2 25.5 7.5 98.6 47 6 B H - 0 0 111 -2,-0.2 2,-0.2 122,-0.2 124,-0.1 -0.835 14.6-127.8 -98.0 127.7 23.4 10.1 100.4 48 7 B D + 0 0 1 122,-1.4 2,-0.2 -2,-0.5 125,-0.2 -0.485 47.4 134.8 -72.9 139.5 19.9 9.0 101.5 49 8 B S + 0 0 59 123,-0.2 -22,-1.8 -2,-0.2 123,-0.1 -0.874 14.9 125.3-162.6-168.5 16.9 11.3 100.4 50 9 B G - 0 0 37 -2,-0.2 2,-0.1 -24,-0.1 -1,-0.1 0.787 40.1-166.6 104.6 45.1 13.4 11.4 98.9 51 10 B Y - 0 0 133 1,-0.1 2,-0.2 124,-0.1 124,-0.1 -0.407 11.8-138.2 -64.8 133.0 11.4 13.4 101.5 52 11 B E + 0 0 44 121,-0.3 124,-0.7 -2,-0.1 2,-0.3 -0.616 21.7 179.6 -91.1 152.4 7.6 13.2 101.0 53 12 B V E -m 176 0G 93 -2,-0.2 2,-0.3 122,-0.2 124,-0.2 -0.951 2.1-179.7-153.1 128.3 5.2 16.2 101.4 54 13 B H E +m 177 0G 62 122,-1.5 124,-1.5 -2,-0.3 2,-0.2 -0.984 12.2 162.5-135.7 147.4 1.4 16.3 101.0 55 14 B H + 0 0 129 -2,-0.3 124,-0.2 122,-0.2 2,-0.1 -0.627 13.0 166.7-164.7 97.3 -1.3 19.0 101.2 56 15 B Q - 0 0 30 -2,-0.2 2,-0.1 22,-0.1 124,-0.1 -0.357 19.9-158.3-101.9-173.7 -4.8 18.6 99.7 57 16 B K + 0 0 152 122,-0.1 2,-0.3 -2,-0.1 124,-0.2 -0.575 23.4 161.4-170.2 95.6 -8.1 20.5 100.2 58 17 B L - 0 0 67 122,-0.3 124,-1.6 -2,-0.1 2,-0.4 -0.879 30.7-137.8-123.7 157.1 -11.5 18.7 99.3 59 18 B V E -o 182 0H 104 -2,-0.3 2,-0.4 122,-0.2 124,-0.1 -0.952 20.6-171.7-112.3 127.3 -15.2 19.2 100.1 60 19 B F E -o 183 0H 40 122,-2.7 124,-1.5 -2,-0.4 125,-0.3 -0.974 63.2 -14.9-127.3 122.9 -17.4 16.1 101.0 61 20 B F S S+ 0 0 64 -2,-0.4 124,-2.2 122,-0.2 -1,-0.2 0.985 71.7 166.5 53.1 74.8 -21.2 16.2 101.5 62 21 B A + 0 0 49 1,-0.2 124,-2.9 122,-0.2 2,-0.6 0.965 68.5 5.8 -80.0 -78.0 -21.8 20.0 101.8 63 22 B E B S+q 186 0I 152 122,-0.2 2,-0.3 121,-0.1 -1,-0.2 -0.891 92.6 121.8-113.7 100.9 -25.6 20.5 101.4 64 23 B D - 0 0 35 122,-2.0 124,-0.2 -2,-0.6 0, 0.0 -0.957 60.2-107.4-158.6 140.9 -27.5 17.1 101.2 65 24 B V - 0 0 28 -2,-0.3 23,-0.0 122,-0.2 121,-0.0 -0.134 26.9-133.0 -60.1 163.8 -30.3 15.3 103.1 66 25 B G + 0 0 0 126,-0.0 124,-0.7 2,-0.0 3,-0.2 -0.301 46.9 151.5-117.9 47.5 -29.1 12.3 105.3 67 26 B S - 0 0 32 1,-0.2 2,-2.2 123,-0.1 24,-0.1 0.235 69.4 -49.4 -61.2-167.7 -31.7 9.7 104.3 68 27 B N S S- 0 0 25 22,-1.8 2,-0.2 124,-0.1 124,-0.2 -0.462 72.7-174.0 -71.1 80.7 -30.9 5.9 104.4 69 28 B K - 0 0 52 -2,-2.2 124,-1.9 -3,-0.2 3,-0.1 -0.539 21.9-118.5 -78.0 143.9 -27.6 6.2 102.5 70 29 B G - 0 0 47 -2,-0.2 2,-0.7 1,-0.1 123,-0.4 0.194 45.4 -72.6 -63.7-166.7 -25.9 2.9 101.5 71 30 B A - 0 0 31 122,-0.1 2,-0.4 121,-0.1 124,-0.2 -0.864 47.0-164.4-100.4 114.6 -22.4 1.9 102.8 72 31 B I + 0 0 65 -2,-0.7 124,-1.5 -3,-0.1 2,-0.2 -0.800 23.4 148.4 -98.3 135.4 -19.5 4.0 101.2 73 32 B I + 0 0 78 -2,-0.4 124,-0.2 122,-0.2 3,-0.1 -0.874 40.2 59.1-151.7-176.5 -16.0 2.6 101.7 74 33 B G S S+ 0 0 68 -2,-0.2 2,-0.4 1,-0.2 123,-0.1 0.546 72.5 147.7 63.4 4.7 -12.5 2.3 100.1 75 34 B L + 0 0 38 121,-0.5 124,-1.0 125,-0.0 2,-0.3 -0.588 12.9 141.7 -75.0 126.7 -12.7 6.2 100.1 76 35 B M E +s 199 0J 40 -2,-0.4 2,-0.3 122,-0.2 124,-0.2 -0.964 18.0 171.7-163.0 150.2 -9.2 7.8 100.6 77 36 B V E +s 200 0J 37 122,-0.8 124,-1.0 -2,-0.3 125,-0.2 -0.967 53.9 42.3-155.8 165.3 -7.2 10.8 99.3 78 37 B G S S+ 0 0 23 -2,-0.3 124,-1.6 122,-0.2 123,-0.4 0.982 109.7 23.8 56.1 67.2 -4.0 12.7 99.9 79 38 B G S S- 0 0 31 122,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.890 85.8 -79.6 143.5-172.6 -1.6 9.7 100.4 80 39 B V 0 0 73 -2,-0.3 124,-0.7 1,-0.2 -3,-0.1 -0.877 360.0 360.0-126.1 157.4 -1.1 6.0 99.5 81 40 B V 0 0 78 -2,-0.3 123,-1.5 122,-0.2 -1,-0.2 0.991 360.0 360.0 65.6 360.0 -2.5 2.7 100.9 82 !* 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 83 1 C D 0 0 157 0, 0.0 2,-0.4 0, 0.0 124,-0.1 0.000 360.0 360.0 360.0-172.6 -48.6 24.6 103.2 84 2 C A - 0 0 58 1,-0.0 124,-1.6 0, 0.0 2,-0.5 -0.606 360.0-164.4 -76.9 128.7 -44.9 24.2 102.8 85 3 C E B -u 208 0K 158 -2,-0.4 124,-0.1 122,-0.2 3,-0.1 -0.931 5.7-156.5-119.0 107.3 -43.7 20.6 102.8 86 4 C F - 0 0 103 122,-2.0 2,-0.2 -2,-0.5 125,-0.1 -0.142 41.3 -69.5 -72.6 172.9 -39.9 20.0 103.3 87 5 C R - 0 0 161 123,-0.1 2,-0.5 1,-0.1 -1,-0.2 -0.475 47.6-141.2 -69.3 131.9 -38.1 16.8 102.1 88 6 C H - 0 0 112 -2,-0.2 2,-0.2 122,-0.2 124,-0.1 -0.831 14.7-127.7 -97.8 128.2 -39.0 13.7 104.1 89 7 C D + 0 0 0 122,-1.4 2,-0.2 -2,-0.5 125,-0.2 -0.488 47.4 134.5 -73.3 139.8 -36.2 11.2 104.9 90 8 C S + 0 0 62 123,-0.2 -22,-1.8 -2,-0.2 123,-0.1 -0.878 14.8 125.3-163.0-168.7 -36.9 7.5 103.9 91 9 C G - 0 0 38 -2,-0.2 2,-0.1 -24,-0.1 -1,-0.1 0.784 40.2-166.8 104.9 44.2 -35.4 4.3 102.2 92 10 C Y - 0 0 132 1,-0.1 2,-0.2 124,-0.1 124,-0.1 -0.397 11.9-137.9 -64.2 133.3 -35.8 1.7 104.9 93 11 C E + 0 0 43 121,-0.3 124,-0.7 -2,-0.1 2,-0.3 -0.620 21.8 179.7 -91.4 152.3 -33.8 -1.6 104.2 94 12 C V E -w 217 0L 93 -2,-0.2 2,-0.3 122,-0.2 124,-0.2 -0.951 2.1-179.6-152.8 128.1 -35.2 -5.1 104.9 95 13 C H E +w 218 0L 60 122,-1.5 124,-1.5 -2,-0.3 2,-0.2 -0.982 12.2 162.5-135.4 147.7 -33.4 -8.5 104.2 96 14 C H + 0 0 129 -2,-0.3 124,-0.2 122,-0.2 2,-0.1 -0.624 12.9 166.5-164.9 97.3 -34.4 -12.2 104.6 97 15 C Q - 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