==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 03-FEB-12 4DK1 . COMPND 2 MOLECULE: PUTATIVE MACA, MULTIDRUG RESISTANCE PROTEIN MEXA; . SOURCE 2 ORGANISM_SCIENTIFIC: AGGREGATIBACTER ACTINOMYCETEMCOMITANS, . AUTHOR Y.XU,N.C.HA . 1117 15 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66175.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 602 53.9 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 . 182 16.3 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 101 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 15.5 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 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 4 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 . 14 10 4 12 8 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 4 0 4 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 34 A T 0 0 174 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 56.4 -28.4 53.1 243.7 2 35 A E + 0 0 113 245,-0.1 2,-0.1 0, 0.0 244,-0.0 -0.978 360.0 167.3-161.8 160.9 -27.8 50.3 241.2 3 36 A E - 0 0 71 -2,-0.3 2,-0.4 272,-0.0 271,-0.1 -0.437 39.1 -6.5-152.5-130.0 -27.3 46.6 240.5 4 37 A V S S- 0 0 47 -2,-0.1 2,-0.4 269,-0.1 242,-0.1 -0.734 72.0 -25.7-108.8 134.1 -27.2 44.0 237.7 5 38 A K + 0 0 67 240,-0.5 238,-0.3 -2,-0.4 3,-0.3 -0.820 51.4 123.3 129.0-114.2 -27.9 43.4 234.1 6 39 A R - 0 0 159 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 -0.130 58.6-105.1 63.9-125.7 -30.0 44.8 231.4 7 40 A G + 0 0 14 235,-0.3 -1,-0.2 234,-0.1 234,-0.1 -0.102 65.5 126.2 135.5 67.6 -28.8 46.1 228.2 8 41 A N + 0 0 133 -3,-0.3 2,-0.5 233,-0.1 233,-0.2 -0.222 31.0 146.8-134.0 49.2 -28.9 49.7 228.0 9 42 A I + 0 0 20 231,-1.2 2,-0.4 -3,-0.0 231,-0.4 -0.712 16.0 171.3 -83.4 135.0 -25.3 50.4 227.0 10 43 A E - 0 0 106 -2,-0.5 229,-0.2 249,-0.2 226,-0.0 -0.959 9.5-174.5-133.1 117.0 -24.7 53.3 224.7 11 44 A K + 0 0 56 227,-0.9 -1,-0.1 -2,-0.4 249,-0.1 0.923 23.7 170.3 -77.7 -46.1 -21.0 54.0 224.3 12 45 A N - 0 0 42 226,-0.3 2,-0.3 222,-0.1 224,-0.2 0.518 25.0-145.3 55.4 153.1 -21.3 57.3 222.2 13 46 A V - 0 0 31 2,-0.1 222,-2.1 151,-0.0 2,-0.4 -0.883 15.8-149.1-131.1 173.8 -18.7 59.7 221.3 14 47 A V E +A 234 0A 81 -2,-0.3 2,-0.3 220,-0.2 220,-0.2 -0.988 24.2 151.8-144.4 134.0 -19.2 63.3 221.0 15 48 A A E -A 233 0A 19 218,-1.5 218,-1.7 -2,-0.4 2,-0.4 -0.882 44.5 -97.3-143.7-178.1 -17.9 66.2 218.9 16 49 A T E -A 232 0A 47 -2,-0.3 147,-1.7 216,-0.2 2,-0.5 -0.792 33.1-139.3-109.5 127.5 -19.2 69.4 217.8 17 50 A G E -AB 231 162A 0 214,-3.7 214,-3.4 -2,-0.4 2,-0.6 -0.805 7.7-156.3-100.1 126.4 -20.6 69.8 214.3 18 51 A S E -AB 230 161A 37 143,-2.4 143,-2.8 -2,-0.5 212,-0.2 -0.852 34.4-138.2 -80.6 119.5 -20.1 72.7 212.0 19 52 A I E + B 0 160A 9 210,-3.4 2,-0.3 -2,-0.6 141,-0.2 -0.541 26.6 177.8 -89.8 159.2 -23.1 72.3 209.8 20 53 A E E - B 0 159A 48 139,-1.3 139,-2.7 -2,-0.2 2,-0.4 -0.871 30.2 -97.9-150.5 166.8 -23.3 72.8 206.0 21 54 A S E - B 0 158A 8 -2,-0.3 137,-0.2 137,-0.2 3,-0.1 -0.817 31.8-126.5 -98.3 149.4 -25.2 72.7 202.7 22 55 A I S S+ 0 0 43 135,-1.2 2,-0.3 132,-0.6 -1,-0.1 0.931 92.7 15.7 -68.2 -52.7 -25.0 69.7 200.5 23 56 A N + 0 0 85 131,-0.3 131,-4.2 134,-0.3 2,-0.3 -0.999 64.9 164.7-140.8 168.6 -24.0 71.8 197.6 24 57 A T E -F 153 0B 53 -2,-0.3 2,-0.3 129,-0.3 129,-0.3 -0.970 9.5-173.0-173.4 114.4 -22.7 75.1 197.2 25 58 A V E -F 152 0B 52 127,-3.4 127,-2.5 -2,-0.3 2,-0.3 -0.994 18.6-144.1-155.2 146.5 -21.0 77.0 194.4 26 59 A D E -F 151 0B 87 -2,-0.3 2,-0.4 125,-0.2 125,-0.2 -0.724 24.8-164.6-105.5 144.2 -19.3 80.2 193.5 27 60 A V E +F 150 0B 17 123,-2.6 122,-2.2 -2,-0.3 123,-1.6 -0.994 28.4 127.9-148.4 124.1 -19.8 81.6 190.1 28 61 A G - 0 0 20 -2,-0.4 -2,-0.0 120,-0.3 0, 0.0 -0.799 47.5-108.7-175.0 137.5 -18.1 84.3 187.8 29 62 A A - 0 0 22 -2,-0.2 89,-0.0 1,-0.1 92,-0.0 -0.034 19.1-106.8 -97.4-176.5 -16.9 83.8 184.3 30 63 A Q S S+ 0 0 135 112,-0.1 113,-0.3 116,-0.1 -1,-0.1 0.486 94.4 87.9 -76.1 -2.0 -13.9 83.4 182.0 31 64 A V - 0 0 12 1,-0.1 111,-0.4 111,-0.1 112,-0.3 0.208 61.9-153.6 -78.1-167.1 -14.6 87.0 180.8 32 65 A S + 0 0 36 109,-0.2 109,-0.2 110,-0.1 -1,-0.1 -0.597 44.2 93.0-138.1-145.6 -13.4 90.3 182.0 33 66 A G S S- 0 0 10 107,-0.3 107,-0.2 -2,-0.2 108,-0.1 0.705 75.0 -68.1 66.5 142.6 -15.1 93.6 181.6 34 67 A K - 0 0 45 105,-0.2 22,-2.4 21,-0.2 105,-0.2 0.308 50.4-114.5 -64.6 176.5 -17.5 95.5 183.8 35 68 A I B -I 55 0C 13 20,-0.3 20,-0.3 100,-0.3 19,-0.1 -0.416 25.1-179.5-116.1-169.9 -20.9 94.5 184.5 36 69 A T + 0 0 59 18,-1.7 2,-0.4 17,-0.5 19,-0.2 0.550 63.8 31.0-155.9 -51.9 -24.3 95.9 183.7 37 70 A K - 0 0 104 17,-1.4 2,-0.4 16,-0.6 -1,-0.4 -0.996 53.9-170.7-140.4 128.6 -27.3 94.1 184.9 38 71 A L - 0 0 34 -2,-0.4 15,-0.3 -3,-0.1 14,-0.1 -0.966 2.2-169.1-125.0 132.2 -27.5 92.0 188.0 39 72 A Y + 0 0 102 13,-5.0 2,-0.2 -2,-0.4 14,-0.2 0.740 54.1 52.1-106.2 -23.5 -30.6 90.0 188.5 40 73 A V - 0 0 21 12,-0.8 2,-0.3 4,-0.0 6,-0.0 -0.598 53.5-155.3-109.8 166.3 -30.8 88.6 192.0 41 74 A K - 0 0 138 -2,-0.2 2,-0.8 88,-0.0 88,-0.2 -0.858 51.8 -42.5-128.7-175.0 -30.5 89.6 195.7 42 75 A L S S- 0 0 41 -2,-0.3 2,-0.2 1,-0.2 86,-0.0 0.128 121.7 -7.1 -5.2 -42.5 -29.6 88.2 199.1 43 76 A G S S+ 0 0 39 -2,-0.8 2,-0.4 434,-0.1 -1,-0.2 -0.750 78.9 165.8 166.4 77.2 -31.3 84.7 199.2 44 77 A Q - 0 0 86 -2,-0.2 85,-2.4 -3,-0.1 2,-0.5 -0.903 40.1-121.6-109.5 146.9 -33.4 84.3 196.2 45 78 A Q E -G 128 0B 146 -2,-0.4 2,-0.4 83,-0.2 83,-0.2 -0.815 38.8-174.7 -76.2 130.7 -34.6 80.9 195.2 46 79 A V E -G 127 0B 16 81,-3.0 81,-4.0 -2,-0.5 2,-0.1 -0.993 15.0-153.9-133.8 129.8 -33.3 80.3 191.7 47 80 A K > - 0 0 149 -2,-0.4 3,-0.9 79,-0.3 76,-0.2 -0.405 53.2 -36.7 -88.4 177.2 -34.0 77.4 189.4 48 81 A K T 3 S- 0 0 105 1,-0.2 -1,-0.2 -2,-0.1 75,-0.1 0.415 109.1 -13.2 -46.8 166.0 -31.5 76.3 186.7 49 82 A G T 3 S+ 0 0 24 74,-0.9 -1,-0.2 73,-0.2 73,-0.1 0.499 88.5 171.0 27.4 19.4 -29.2 78.3 184.5 50 83 A D < - 0 0 46 -3,-0.9 72,-1.2 72,-0.3 2,-0.5 0.446 41.5 -80.6 -65.2-166.5 -30.7 81.6 185.2 51 84 A L + 0 0 103 1,-0.2 -1,-0.2 70,-0.2 69,-0.0 -0.751 67.4 128.7 -85.7 121.5 -30.2 85.2 184.5 52 85 A L + 0 0 4 -2,-0.5 -13,-5.0 -13,-0.1 -12,-0.8 0.825 62.3 37.8-117.6 -31.5 -27.6 86.6 187.1 53 86 A A + 0 0 11 -15,-0.3 -16,-0.6 -3,-0.2 -17,-0.5 0.845 34.0 156.2-136.9-146.3 -25.5 88.0 185.1 54 87 A E - 0 0 32 65,-0.4 -18,-1.7 64,-0.2 -17,-1.4 0.937 18.4-155.8 60.1 92.9 -23.9 90.0 182.4 55 88 A I B -I 35 0C 7 64,-0.5 -20,-0.3 -20,-0.3 -21,-0.2 -0.450 64.4 -70.1 -64.5 152.9 -20.7 91.8 182.1 56 89 A D - 0 0 32 -22,-2.4 3,-0.2 -2,-0.2 -1,-0.1 -0.451 48.9-155.5 -58.5 125.9 -21.2 94.5 179.4 57 90 A P >> + 0 0 31 0, 0.0 4,-1.8 0, 0.0 3,-0.8 0.359 52.9 120.1 -92.4 2.2 -21.4 92.5 176.2 58 91 A A H 3> S+ 0 0 28 1,-0.3 4,-1.6 2,-0.2 3,-0.2 0.752 73.1 34.7 -44.7 -64.2 -20.2 95.2 173.9 59 92 A T H 3> S+ 0 0 23 -3,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.677 113.1 61.7 -72.9 -17.7 -16.9 94.1 172.1 60 93 A Y H <> S+ 0 0 76 -3,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.893 102.1 50.8 -74.5 -36.8 -18.2 90.6 172.0 61 94 A E H >X S+ 0 0 111 -4,-1.8 4,-1.9 -3,-0.2 3,-0.6 0.938 108.3 55.2 -56.7 -52.9 -21.1 91.8 169.8 62 95 A A H >X S+ 0 0 11 -4,-1.6 4,-1.7 1,-0.2 3,-0.8 0.969 106.7 47.9 -31.9 -76.5 -18.4 93.5 167.6 63 96 A D H 3X S+ 0 0 72 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.709 107.8 58.3 -47.2 -22.6 -16.6 90.2 167.1 64 97 A Y H X S+ 0 0 8 -4,-2.4 4,-2.0 2,-0.2 3,-1.5 0.984 111.3 49.4 -63.2 -72.9 -20.0 88.7 157.7 70 103 A N H 3X S+ 0 0 48 -4,-1.4 4,-1.1 1,-0.3 -1,-0.2 0.668 113.9 51.3 -43.0 -16.0 -16.8 86.8 156.8 71 104 A L H 3> S+ 0 0 34 -4,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.823 102.6 55.6 -84.6 -38.6 -19.2 83.7 157.1 72 105 A A H X S+ 0 0 36 -4,-2.5 4,-2.1 1,-0.2 3,-1.2 0.951 113.0 34.7 -49.9 -74.5 -19.0 81.0 147.9 78 111 A A H 3< S+ 0 0 10 -4,-2.4 -1,-0.2 20,-0.4 -2,-0.2 0.691 112.7 62.2 -66.8 -10.5 -18.9 77.3 148.5 79 112 A Q H 3< S+ 0 0 109 -4,-1.6 3,-0.3 -5,-0.3 -1,-0.3 0.832 108.4 45.7 -73.0 -30.3 -22.7 77.2 148.0 80 113 A R H X< S+ 0 0 29 -4,-1.6 3,-2.5 -3,-1.2 4,-0.3 0.980 113.0 45.5 -76.1 -61.1 -21.9 78.4 144.5 81 114 A Y T 3< S+ 0 0 42 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.329 97.9 75.9 -55.7 4.1 -19.0 75.9 143.8 82 115 A K T 3 S+ 0 0 117 -3,-0.3 -1,-0.3 -5,-0.3 -2,-0.2 0.626 98.4 46.1 -82.8 -15.7 -21.4 73.3 145.3 83 116 A L S < S+ 0 0 81 -3,-2.5 2,-0.2 -4,-0.2 -2,-0.2 0.332 102.8 72.0-105.9 -0.0 -23.1 73.6 141.8 84 117 A L S S+ 0 0 20 -4,-0.3 2,-2.5 2,-0.1 7,-0.1 -0.585 97.2 34.9 -97.7 175.9 -19.8 73.4 139.8 85 118 A V S S+ 0 0 41 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.117 107.4 76.1 58.2 -42.3 -18.2 69.9 139.8 86 119 A A S S+ 0 0 81 -2,-2.5 -1,-0.2 -5,-0.1 -2,-0.1 0.432 115.2 19.2 -74.7 -0.8 -22.0 69.0 139.8 87 120 A D S S- 0 0 97 3,-0.1 -3,-0.1 0, 0.0 -1,-0.0 0.438 118.6-111.4-107.9 -85.7 -21.7 70.0 136.1 88 121 A Q S S+ 0 0 59 -5,-0.1 -4,-0.1 2,-0.0 -2,-0.1 0.143 73.9 131.8 175.3 24.4 -18.0 69.7 135.9 89 122 A A + 0 0 6 -6,-0.2 2,-0.3 1,-0.1 854,-0.2 0.926 65.6 19.9 -44.3 -94.7 -17.1 73.4 135.6 90 123 A V S S- 0 0 43 851,-0.1 -3,-0.1 852,-0.1 -1,-0.1 -0.719 93.0 -85.7-105.0 165.1 -14.3 74.3 138.1 91 124 A S - 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