==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 14-NOV-05 2F1M . COMPND 2 MOLECULE: ACRIFLAVINE RESISTANCE PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.MIKOLOSKO,K.BOBYK,H.I.ZGURSKAYA,P.GHOSH . 923 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 659 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 237 25.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 1 0.1 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 . 53 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 259 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 RESIDUES PER ALPHA HELIX . 2 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 . 5 19 8 8 8 1 0 4 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 . 4 4 2 2 0 0 3 1 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 53 A T 0 0 128 0, 0.0 2,-0.2 0, 0.0 229,-0.1 0.000 360.0 360.0 360.0 67.5 16.5 -37.7 226.0 2 54 A T - 0 0 82 2,-0.0 227,-1.7 0, 0.0 2,-0.3 -0.613 360.0-149.1-173.1 110.9 20.3 -37.8 225.5 3 55 A E E +A 228 0A 91 225,-0.2 225,-0.3 -2,-0.2 175,-0.1 -0.699 15.8 178.2-100.9 144.2 22.5 -34.7 225.8 4 56 A L E -A 227 0A 4 223,-3.1 223,-2.9 -2,-0.3 162,-0.1 -0.947 36.4 -95.6-136.8 149.9 25.7 -33.9 223.9 5 57 A P E -A 226 0A 74 0, 0.0 160,-1.2 0, 0.0 2,-0.3 -0.431 50.1-176.9 -66.7 144.3 28.1 -31.0 223.7 6 58 A G E -AB 225 164A 10 219,-2.2 219,-3.2 158,-0.2 2,-0.4 -0.973 25.5-150.8-144.9 156.0 27.4 -28.5 220.8 7 59 A R E -AB 224 163A 114 156,-1.8 156,-2.9 -2,-0.3 2,-0.3 -0.984 19.8-137.3-123.8 137.7 28.6 -25.4 219.0 8 60 A T E + B 0 162A 0 215,-1.8 214,-2.9 -2,-0.4 2,-0.3 -0.684 27.6 179.1 -87.3 147.7 26.3 -23.0 217.2 9 61 A S E - B 0 161A 33 152,-1.9 152,-1.9 -2,-0.3 2,-0.1 -0.986 31.8 -85.9-149.5 157.9 27.5 -21.7 213.9 10 62 A A - 0 0 20 -2,-0.3 3,-0.1 150,-0.2 147,-0.1 -0.370 17.7-148.4 -71.3 141.7 26.2 -19.4 211.2 11 63 A Y S S+ 0 0 67 145,-1.1 2,-0.3 147,-0.4 -1,-0.1 0.809 88.1 9.0 -69.1 -37.3 23.8 -20.5 208.4 12 64 A R E -I 156 0B 118 144,-0.5 144,-3.0 2,-0.0 2,-0.4 -0.991 65.7-167.5-149.6 140.0 25.3 -18.0 206.0 13 65 A I E +I 155 0B 109 -2,-0.3 2,-0.4 142,-0.2 142,-0.2 -0.994 8.8 176.6-129.0 133.9 28.3 -15.7 206.1 14 66 A A E -I 154 0B 13 140,-2.4 140,-2.8 -2,-0.4 2,-0.3 -0.997 21.2-138.9-138.2 139.1 29.1 -12.8 203.8 15 67 A E E -I 153 0B 103 -2,-0.4 2,-0.7 138,-0.2 138,-0.2 -0.702 19.6-130.2 -88.0 144.9 31.9 -10.3 203.8 16 68 A V E +I 152 0B 0 136,-3.0 135,-2.8 -2,-0.3 136,-0.8 -0.866 38.8 168.7 -97.4 116.3 31.1 -6.7 202.9 17 69 A R - 0 0 77 -2,-0.7 2,-0.3 108,-0.4 108,-0.3 -0.969 34.7-118.1-132.1 142.2 33.5 -5.5 200.3 18 70 A P - 0 0 3 0, 0.0 128,-0.8 0, 0.0 129,-0.2 -0.629 13.6-167.3 -80.2 138.6 33.8 -2.4 198.0 19 71 A Q S S+ 0 0 96 102,-0.5 2,-0.3 -2,-0.3 126,-0.1 0.255 79.1 44.4 -99.0 7.6 33.7 -3.1 194.3 20 72 A V S S- 0 0 6 101,-0.2 2,-0.2 102,-0.1 126,-0.1 -0.979 84.9-120.2-153.4 141.7 34.8 0.5 193.6 21 73 A S + 0 0 39 -2,-0.3 2,-0.3 123,-0.1 123,-0.2 -0.571 55.6 89.9 -88.3 154.4 37.5 2.7 195.2 22 74 A G E S-L 143 0C 19 121,-2.2 121,-2.6 -2,-0.2 2,-0.4 -0.971 71.4 -43.8 157.6-162.8 36.9 6.0 197.0 23 75 A I E -L 142 0C 14 22,-0.3 22,-3.5 -2,-0.3 2,-0.7 -0.825 49.5-117.4-103.6 134.7 36.2 7.6 200.3 24 76 A I E -M 44 0D 1 117,-2.5 116,-2.5 -2,-0.4 20,-0.3 -0.601 30.9-178.4 -68.2 110.5 33.6 6.3 202.8 25 77 A L E - 0 0 74 18,-2.8 2,-0.3 -2,-0.7 19,-0.2 0.905 64.1 -5.2 -77.3 -46.0 31.1 9.2 203.0 26 78 A K E -M 43 0D 101 17,-1.6 17,-2.4 113,-0.1 2,-0.5 -0.997 53.4-137.9-150.9 149.6 28.8 7.5 205.6 27 79 A R E -M 42 0D 30 -2,-0.3 15,-0.2 15,-0.2 14,-0.1 -0.947 18.5-168.3-103.3 129.9 28.2 4.3 207.5 28 80 A N + 0 0 72 13,-3.6 2,-0.3 -2,-0.5 14,-0.1 0.445 57.2 66.5-102.9 -1.1 24.5 3.4 207.6 29 81 A F S S- 0 0 11 12,-0.5 2,-0.4 6,-0.0 6,-0.1 -0.849 74.3-122.7-119.1 152.2 24.3 0.7 210.2 30 82 A K > - 0 0 123 -2,-0.3 3,-1.4 4,-0.1 2,-0.3 -0.754 45.1-103.2 -82.8 143.5 24.9 0.4 213.9 31 83 A E T 3 S+ 0 0 34 -2,-0.4 103,-0.2 1,-0.3 102,-0.2 -0.534 107.4 21.6 -69.2 127.4 27.6 -2.3 214.7 32 84 A G T 3 S+ 0 0 3 100,-1.2 391,-0.3 101,-0.9 -1,-0.3 0.582 98.4 128.8 90.5 12.0 25.9 -5.5 215.9 33 85 A S < - 0 0 34 -3,-1.4 99,-2.7 100,-0.3 2,-0.4 -0.584 66.5 -97.3-100.7 162.5 22.6 -4.7 214.4 34 86 A D E -J 131 0B 72 97,-0.2 2,-0.3 -2,-0.2 97,-0.3 -0.669 44.7-165.6 -80.2 130.8 20.3 -6.7 212.1 35 87 A I E -J 130 0B 24 95,-3.8 95,-1.8 -2,-0.4 2,-0.4 -0.828 15.0-133.8-123.1 148.6 20.7 -5.8 208.4 36 88 A E > - 0 0 128 -2,-0.3 3,-1.8 93,-0.2 90,-0.3 -0.886 33.2-104.2-105.2 137.2 18.7 -6.5 205.2 37 89 A A T 3 S+ 0 0 42 -2,-0.4 92,-0.1 1,-0.2 3,-0.1 -0.229 104.0 19.1 -53.7 139.4 20.3 -7.7 201.9 38 90 A G T 3 S+ 0 0 44 88,-2.0 -1,-0.2 1,-0.3 2,-0.2 0.315 90.7 127.9 82.0 -10.4 20.7 -5.0 199.3 39 91 A V S < S- 0 0 78 -3,-1.8 87,-0.5 87,-0.2 2,-0.4 -0.585 73.3 -97.3 -80.6 144.4 20.4 -2.1 201.7 40 92 A S + 0 0 26 -2,-0.2 85,-0.2 1,-0.2 3,-0.1 -0.479 45.0 171.8 -61.7 115.0 23.1 0.6 201.6 41 93 A L S S+ 0 0 2 83,-3.3 -13,-3.6 -2,-0.4 -12,-0.5 0.856 71.1 10.6 -93.5 -46.4 25.6 -0.3 204.4 42 94 A Y E -MN 27 124D 1 82,-1.4 82,-3.1 -15,-0.2 2,-0.6 -0.992 66.8-144.4-130.1 143.5 28.2 2.3 203.4 43 95 A Q E -MN 26 123D 48 -17,-2.4 -18,-2.8 -2,-0.4 -17,-1.6 -0.944 12.3-152.9-104.6 118.5 28.0 5.2 200.9 44 96 A I E -M 24 0D 0 78,-3.0 -20,-0.3 -2,-0.6 78,-0.0 -0.749 42.9 -92.8 -80.3 134.4 31.3 5.8 199.1 45 97 A D - 0 0 19 -22,-3.5 -22,-0.3 -2,-0.4 4,-0.3 -0.390 43.5-166.9 -55.0 117.5 31.4 9.5 198.1 46 98 A P > + 0 0 37 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.284 54.8 104.8 -92.5 5.5 29.9 9.4 194.6 47 99 A A H > S+ 0 0 22 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.950 85.8 39.8 -58.0 -56.4 30.8 12.9 193.4 48 100 A T H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.870 118.0 49.9 -60.1 -39.4 33.7 11.9 191.0 49 101 A Y H > S+ 0 0 41 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.936 106.7 53.6 -67.8 -45.1 31.8 8.8 189.8 50 102 A Q H X S+ 0 0 69 -4,-3.5 4,-2.5 1,-0.2 -1,-0.2 0.897 110.4 50.6 -49.4 -40.8 28.7 10.8 189.1 51 103 A A H X S+ 0 0 5 -4,-1.9 4,-3.7 -5,-0.2 -2,-0.2 0.929 105.3 52.4 -65.6 -48.6 30.9 13.1 187.0 52 104 A T H X S+ 0 0 82 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.896 112.1 50.1 -55.2 -37.8 32.5 10.3 185.0 53 105 A Y H X S+ 0 0 38 -4,-2.1 4,-2.1 62,-0.2 -2,-0.2 0.950 110.9 45.7 -63.4 -53.7 28.9 9.3 184.2 54 106 A D H X S+ 0 0 36 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.898 115.0 50.4 -58.8 -38.7 27.8 12.7 183.2 55 107 A S H >X S+ 0 0 41 -4,-3.7 4,-1.7 1,-0.2 3,-0.9 0.972 109.9 47.0 -61.9 -56.4 31.0 13.0 181.1 56 108 A A H 3X S+ 0 0 8 -4,-2.9 4,-1.6 1,-0.3 56,-0.3 0.791 110.6 54.0 -55.6 -33.9 30.6 9.6 179.3 57 109 A K H 3X S+ 0 0 85 -4,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.800 107.6 51.2 -70.3 -29.1 26.9 10.5 178.6 58 110 A G H X S+ 0 0 78 -4,-2.0 3,-1.5 1,-0.2 4,-0.6 0.877 105.8 60.9 -69.3 -41.7 24.8 11.1 148.4 78 130 A Q H >< S+ 0 0 112 -4,-2.8 3,-0.9 1,-0.3 -1,-0.2 0.875 104.3 49.1 -53.7 -41.6 23.1 7.7 147.9 79 131 A K T 3< S+ 0 0 152 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.515 109.1 54.6 -82.2 -3.3 20.2 9.3 146.0 80 132 A L T X4 S+ 0 0 66 -3,-1.5 3,-1.6 -4,-0.3 6,-0.4 0.434 78.7 120.3-102.6 -4.5 22.6 11.2 143.8 81 133 A L T << S+ 0 0 72 -3,-0.9 3,-0.1 -4,-0.6 6,-0.1 -0.325 74.6 25.4 -59.9 140.3 24.6 8.2 142.6 82 134 A G T 3 S+ 0 0 87 1,-0.3 2,-0.3 4,-0.3 -1,-0.2 0.464 104.7 100.8 83.7 0.6 24.5 7.7 138.8 83 135 A T S X S- 0 0 64 -3,-1.6 3,-1.3 3,-0.1 -1,-0.3 -0.800 90.0 -99.8-115.3 162.1 23.9 11.4 138.2 84 136 A Q T 3 S+ 0 0 179 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.0 0.519 110.0 71.3 -46.2 -9.1 26.2 14.2 137.1 85 137 A Y T 3 S+ 0 0 161 -5,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.538 97.4 20.5-105.1 -7.4 26.4 15.4 140.7 86 138 A I < - 0 0 34 -3,-1.3 2,-0.3 -6,-0.4 -4,-0.3 -0.975 60.6-135.2-155.7 161.7 28.5 12.9 142.7 87 139 A S > - 0 0 48 -2,-0.3 4,-2.1 -6,-0.1 3,-0.4 -0.914 27.4-114.8-125.2 152.6 31.2 10.1 142.4 88 140 A K H > S+ 0 0 151 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.793 116.9 53.4 -52.7 -34.3 31.7 6.6 143.8 89 141 A Q H > S+ 0 0 164 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.911 107.7 51.5 -68.7 -40.9 34.8 7.7 145.7 90 142 A E H > S+ 0 0 98 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.929 113.5 44.0 -59.0 -46.5 32.9 10.6 147.3 91 143 A Y H X S+ 0 0 36 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.915 111.7 52.7 -64.8 -45.7 30.2 8.2 148.4 92 144 A D H X S+ 0 0 71 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.792 109.7 50.5 -58.7 -32.3 32.7 5.6 149.6 93 145 A Q H X S+ 0 0 113 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.884 109.7 48.8 -72.9 -40.6 34.3 8.4 151.6 94 146 A A H X S+ 0 0 4 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.892 109.4 53.9 -65.0 -41.0 31.0 9.4 153.2 95 147 A L H X S+ 0 0 67 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.877 108.0 50.2 -54.2 -42.2 30.5 5.7 153.9 96 148 A A H X S+ 0 0 43 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.871 109.0 50.3 -68.2 -40.5 33.8 5.6 155.8 97 149 A D H X S+ 0 0 74 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.954 111.2 49.8 -62.3 -49.5 33.0 8.7 157.9 98 150 A A H X S+ 0 0 7 -4,-2.4 4,-3.2 -28,-0.2 5,-0.2 0.961 111.3 47.3 -52.6 -58.1 29.7 7.1 158.8 99 151 A Q H X S+ 0 0 127 -4,-2.6 4,-2.3 1,-0.3 -1,-0.2 0.876 113.1 50.5 -52.6 -42.6 31.3 3.8 159.9 100 152 A Q H X S+ 0 0 139 -4,-2.4 4,-1.6 1,-0.2 -1,-0.3 0.910 111.7 46.4 -61.1 -45.5 33.9 5.8 161.8 101 153 A A H X S+ 0 0 15 -4,-3.1 4,-2.4 1,-0.2 -34,-0.3 0.890 111.8 52.9 -65.8 -37.3 31.2 7.8 163.6 102 154 A N H X S+ 0 0 67 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.864 105.5 51.9 -66.6 -38.8 29.2 4.6 164.3 103 155 A A H X S+ 0 0 44 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.883 109.1 52.2 -59.9 -40.4 32.2 2.8 165.9 104 156 A A H X S+ 0 0 47 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.942 107.8 50.9 -65.1 -45.3 32.6 5.9 168.1 105 157 A V H X S+ 0 0 12 -4,-2.4 4,-2.3 -42,-0.3 -2,-0.2 0.934 109.8 51.5 -55.9 -48.4 28.9 5.6 169.0 106 158 A T H >X S+ 0 0 100 -4,-2.6 4,-1.8 1,-0.2 3,-0.7 0.970 112.2 43.9 -47.6 -64.1 29.6 1.9 169.9 107 159 A A H 3X S+ 0 0 63 -4,-2.9 4,-1.8 1,-0.3 -1,-0.2 0.869 111.4 55.4 -57.8 -37.4 32.5 2.7 172.1 108 160 A A H 3X S+ 0 0 10 -4,-2.9 4,-2.1 2,-0.2 -1,-0.3 0.895 103.5 53.3 -63.8 -38.5 30.7 5.6 173.8 109 161 A K H < S+ 0 0 30 -4,-1.8 3,-2.3 1,-0.2 4,-0.3 0.985 109.0 50.4 -63.4 -51.3 28.3 4.8 190.1 120 172 A A H >< S+ 0 0 59 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.810 104.5 59.0 -53.8 -34.6 25.7 2.2 191.3 121 173 A Y T 3< S+ 0 0 111 -4,-1.6 -102,-0.5 1,-0.2 -1,-0.3 0.369 80.4 86.4 -80.5 6.8 28.5 0.3 193.3 122 174 A T T < S+ 0 0 7 -3,-2.3 -78,-3.0 -4,-0.2 2,-0.7 0.744 77.9 71.0 -80.0 -25.4 29.3 3.4 195.4 123 175 A K E < S-N 43 0D 99 -3,-1.1 2,-0.4 -4,-0.3 -80,-0.2 -0.869 87.8-147.4 -85.3 118.3 26.5 2.3 197.7 124 176 A V E +N 42 0D 7 -82,-3.1 -83,-3.3 -2,-0.7 -82,-1.4 -0.752 23.8 175.0 -93.5 131.9 28.1 -0.8 199.3 125 177 A T - 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