==== 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 4DK0 . COMPND 2 MOLECULE: PUTATIVE MACA; . SOURCE 2 ORGANISM_SCIENTIFIC: AGGREGATIBACTER ACTINOMYCETEMCOMITANS; . AUTHOR Y.XU,S.PIAO,N.C.HA . 324 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20120.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 53.4 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 . 33 10.2 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 0.6 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 . 21 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 20.1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 . 6 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 32 A Y 0 0 119 0, 0.0 2,-0.2 0, 0.0 325,-0.1 0.000 360.0 360.0 360.0 77.2 85.8 121.0 131.9 2 33 A L - 0 0 98 1,-0.2 323,-0.4 320,-0.0 322,-0.3 -0.614 360.0-117.8-167.6 100.5 89.2 120.2 130.5 3 34 A T + 0 0 90 320,-0.8 322,-0.4 -2,-0.2 321,-0.2 0.812 17.8 164.5 70.4 147.8 92.3 121.1 128.7 4 35 A E - 0 0 89 317,-0.4 -1,-0.0 319,-0.1 320,-0.0 0.083 30.4-112.4 142.8 144.8 94.8 120.8 125.8 5 36 A E - 0 0 67 315,-0.1 2,-0.4 1,-0.1 314,-0.1 0.138 35.5-119.3 -59.6-178.1 97.7 122.3 123.9 6 37 A V - 0 0 0 270,-0.1 314,-0.2 268,-0.1 270,-0.1 -0.893 30.9-130.3-140.3 104.7 97.4 123.7 120.3 7 38 A K - 0 0 64 -2,-0.4 268,-1.1 1,-0.1 2,-0.1 -0.375 29.0-137.9 -64.8 158.6 99.3 122.3 117.3 8 39 A R E S+A 274 0A 181 266,-0.2 2,-0.2 -2,-0.1 266,-0.2 -0.942 76.4 129.8 64.8 16.0 101.2 123.1 114.9 9 40 A G E -A 273 0A 7 264,-2.2 264,-6.9 262,-0.1 2,-0.3 -0.676 50.4-127.8-137.2-176.1 99.0 120.5 113.2 10 41 A N - 0 0 73 262,-0.3 261,-0.1 -2,-0.2 262,-0.1 -0.916 7.1-145.1-152.7 107.5 96.8 119.9 110.1 11 42 A I - 0 0 8 -2,-0.3 259,-0.7 1,-0.1 297,-0.1 -0.333 13.3-179.8 -59.5 148.5 93.2 118.6 109.6 12 43 A E - 0 0 113 295,-0.2 255,-0.7 257,-0.2 -1,-0.1 0.360 22.8-161.3-128.5 7.9 92.7 116.5 106.5 13 44 A K - 0 0 58 294,-0.4 2,-0.2 253,-0.1 255,-0.2 0.234 2.0-149.5 47.1-172.2 89.0 115.8 106.9 14 45 A N - 0 0 47 253,-0.5 252,-0.1 252,-0.1 250,-0.1 -0.506 9.8-151.8-155.5-136.6 87.1 113.0 105.0 15 46 A V - 0 0 28 -2,-0.2 250,-1.5 250,-0.2 2,-0.3 0.129 18.3-141.4 136.0 106.9 83.6 112.1 103.6 16 47 A V E +B 264 0B 98 248,-0.2 2,-0.3 249,-0.0 248,-0.2 -0.696 25.3 163.2 -96.3 138.5 82.3 108.5 103.3 17 48 A A E -B 263 0B 15 246,-2.3 246,-2.4 -2,-0.3 2,-0.4 -0.978 32.4-131.0-142.9 146.0 80.2 107.1 100.4 18 49 A T E +B 262 0B 71 -2,-0.3 175,-1.4 244,-0.2 2,-0.2 -0.863 37.4 166.3 -96.6 138.0 79.5 103.6 99.4 19 50 A G E -BC 261 192B 1 242,-2.4 242,-2.4 -2,-0.4 2,-0.4 -0.834 26.5-120.1-133.3 174.6 80.1 102.8 95.7 20 51 A S E -BC 260 191B 52 171,-1.4 171,-2.2 240,-0.3 240,-0.3 -0.982 16.5-123.5-129.9 146.1 80.5 99.8 93.4 21 52 A I E + C 0 190B 1 238,-3.1 2,-0.3 -2,-0.4 169,-0.3 -0.488 40.3 166.1 -75.7 151.2 83.2 98.5 91.1 22 53 A E E - C 0 189B 54 167,-1.1 167,-3.0 -2,-0.1 236,-0.1 -0.965 39.9 -75.8-170.6 150.2 82.0 98.1 87.5 23 54 A S - 0 0 20 234,-0.3 165,-0.2 -2,-0.3 162,-0.1 -0.171 30.2-135.0 -66.0 153.6 83.6 97.5 84.0 24 55 A I S S+ 0 0 55 160,-1.3 2,-0.7 163,-0.3 -1,-0.1 0.880 88.5 62.3 -75.1 -36.2 85.3 100.4 82.2 25 56 A N S S- 0 0 80 159,-0.3 159,-0.2 2,-0.0 2,-0.2 -0.823 78.1-139.8-103.6 116.5 83.7 99.7 78.8 26 57 A T + 0 0 134 -2,-0.7 2,-0.3 157,-0.1 -2,-0.0 -0.477 46.9 126.8 -70.8 130.2 79.9 100.0 78.4 27 58 A V - 0 0 29 -2,-0.2 2,-0.2 2,-0.0 156,-0.1 -0.948 36.8-174.6-164.4 169.3 78.6 97.2 76.2 28 59 A D - 0 0 97 -2,-0.3 2,-0.5 154,-0.2 153,-0.2 -0.802 29.8-127.1-167.6 167.0 76.3 94.3 75.3 29 60 A V B +F 180 0C 6 151,-1.5 150,-3.0 -2,-0.2 151,-1.4 -0.740 40.2 167.6-125.6 89.5 76.4 92.0 72.3 30 61 A G - 0 0 26 -2,-0.5 2,-0.2 148,-0.3 148,-0.2 0.443 24.1-131.1 -77.5-153.2 72.9 91.9 70.7 31 62 A A - 0 0 15 141,-0.1 2,-0.2 148,-0.1 140,-0.1 -0.820 9.9-165.3-166.0 130.0 71.5 90.7 67.4 32 63 A Q + 0 0 135 -2,-0.2 2,-0.2 144,-0.1 116,-0.1 -0.564 65.6 66.5-122.6 74.8 69.2 92.1 64.7 33 64 A V S S- 0 0 28 -2,-0.2 139,-0.3 2,-0.0 112,-0.0 -0.811 74.8-121.5-160.2 153.9 68.0 89.3 62.5 34 65 A S + 0 0 50 -2,-0.2 2,-0.3 137,-0.2 24,-0.2 0.227 55.8 108.5 -71.1-154.9 65.7 86.4 63.3 35 66 A G S S- 0 0 4 135,-0.5 135,-1.2 22,-0.1 2,-0.1 -0.892 73.7 -76.6 121.2-154.0 66.8 82.8 63.0 36 67 A K B -G 169 0D 110 -2,-0.3 133,-0.3 133,-0.3 -1,-0.1 -0.547 49.8-122.9-154.6 75.7 67.8 79.9 65.3 37 68 A I + 0 0 1 131,-0.6 130,-1.6 1,-0.1 20,-0.3 0.234 38.4 165.6 -35.1 127.8 71.3 80.4 66.8 38 69 A T + 0 0 74 18,-5.3 2,-0.3 1,-0.2 19,-0.2 0.245 50.9 59.6-144.6 17.9 73.6 77.5 66.1 39 70 A K E +H 56 0E 92 17,-1.8 17,-1.0 111,-0.0 2,-0.4 -0.951 45.6 173.6-136.7 135.8 77.2 78.4 66.8 40 71 A L E +H 55 0E 26 -2,-0.3 15,-0.3 15,-0.3 14,-0.1 -0.929 1.6 177.8-133.2 108.8 78.7 79.6 70.1 41 72 A Y + 0 0 71 13,-4.9 2,-0.3 -2,-0.4 14,-0.1 0.340 57.4 73.7 -97.2 1.5 82.5 80.0 70.0 42 73 A V - 0 0 27 12,-0.5 2,-0.3 6,-0.0 5,-0.1 -0.840 53.2-164.5-115.4 155.3 82.9 81.3 73.6 43 74 A K > - 0 0 174 -2,-0.3 3,-0.7 3,-0.2 2,-0.4 -0.852 46.8 -82.9-121.6 164.8 82.7 80.0 77.1 44 75 A L T 3 S+ 0 0 102 -2,-0.3 116,-0.1 1,-0.2 3,-0.1 -0.575 100.6 23.7 -85.7 121.4 82.4 82.5 80.1 45 76 A G T 3 S+ 0 0 46 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.318 91.6 93.8 122.5 -9.1 85.4 84.2 81.6 46 77 A Q S < S- 0 0 155 -3,-0.7 -3,-0.2 112,-0.1 -1,-0.2 -0.974 76.7 -85.0-130.2 135.6 88.2 84.4 79.0 47 78 A Q - 0 0 106 -2,-0.4 2,-0.3 110,-0.2 110,-0.2 0.404 23.1-160.9 -39.0 146.4 89.1 87.1 76.5 48 79 A V - 0 0 5 108,-1.7 3,-0.2 107,-0.1 4,-0.1 -0.760 23.8-137.2-128.3 91.1 87.7 87.8 73.0 49 80 A K - 0 0 114 -2,-0.3 104,-0.2 1,-0.1 106,-0.1 0.009 46.4 -72.4 -40.6 141.9 90.1 90.0 71.0 50 81 A K S S+ 0 0 152 1,-0.1 105,-0.2 102,-0.1 -1,-0.1 -0.095 119.1 14.9 -47.6 137.3 88.3 92.7 69.0 51 82 A G S S+ 0 0 36 102,-2.5 2,-0.3 -3,-0.2 -1,-0.1 0.994 94.7 156.4 58.5 78.1 86.4 91.3 66.1 52 83 A D - 0 0 44 -4,-0.1 101,-0.8 101,-0.1 2,-0.7 -0.821 50.1 -81.4-133.2 172.1 86.3 87.6 66.9 53 84 A L + 0 0 109 -2,-0.3 99,-0.1 1,-0.2 98,-0.1 -0.614 63.8 133.8 -77.2 108.0 84.5 84.3 66.4 54 85 A L + 0 0 0 -2,-0.7 -13,-4.9 96,-0.5 -12,-0.5 0.752 54.3 5.2-118.9 -60.9 81.5 84.2 68.7 55 86 A A E -H 40 0E 0 95,-5.3 -15,-0.3 -15,-0.3 2,-0.2 -0.437 41.5-163.2-121.8-176.1 78.2 83.0 67.2 56 87 A E E +H 39 0E 47 -17,-1.0 -18,-5.3 -2,-0.1 -17,-1.8 -0.739 8.7 174.9-176.3 148.8 76.2 81.7 64.2 57 88 A I - 0 0 21 -20,-0.3 2,-1.2 91,-0.3 -22,-0.1 -0.200 59.4 -50.4-128.2-160.3 72.5 81.4 63.2 58 89 A D + 0 0 35 -24,-0.2 4,-0.5 1,-0.2 3,-0.2 -0.769 54.6 169.7 -89.5 97.0 70.6 80.3 60.1 59 90 A S > + 0 0 24 -2,-1.2 4,-2.3 1,-0.2 5,-0.3 0.540 55.4 94.9 -75.5 -8.0 72.6 82.2 57.5 60 91 A T H >> S+ 0 0 71 2,-0.2 4,-2.9 1,-0.2 3,-0.9 0.945 80.0 45.0 -53.8 -68.9 70.7 80.1 54.9 61 92 A T H 3> S+ 0 0 68 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.858 117.0 49.5 -42.9 -42.7 67.8 82.3 54.1 62 93 A Q H 3> S+ 0 0 46 -4,-0.5 4,-1.7 2,-0.2 -1,-0.3 0.836 112.9 43.5 -71.6 -36.5 70.2 85.3 53.8 63 94 A I H X S+ 0 0 82 -4,-2.5 4,-2.1 1,-0.2 3,-1.9 0.996 108.3 46.4 -45.4 -70.3 69.4 85.3 44.2 69 100 A R H 3X S+ 0 0 101 -4,-2.7 4,-1.2 1,-0.3 -2,-0.2 0.680 111.2 52.7 -60.8 -19.3 70.6 88.9 43.9 70 101 A K H 3X S+ 0 0 97 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.3 0.737 106.5 53.1 -85.8 -23.4 73.9 87.8 42.3 71 102 A A H X S+ 0 0 28 -4,-2.1 3,-2.8 1,-0.2 4,-1.8 0.945 112.6 38.7 -46.2 -78.9 69.9 88.9 38.9 73 104 A L H 3X S+ 0 0 21 -4,-1.2 4,-2.4 1,-0.3 5,-0.4 0.886 106.9 65.8 -21.5 -60.6 73.0 90.9 38.0 74 105 A A H 3< S+ 0 0 51 -4,-1.9 -1,-0.3 1,-0.3 4,-0.3 0.741 110.3 38.0 -55.8 -19.5 74.5 87.9 36.4 75 106 A S H << S+ 0 0 55 -3,-2.8 4,-0.5 -4,-1.4 -1,-0.3 0.747 107.5 63.0 -91.9 -35.4 71.7 88.2 33.8 76 107 A Y H X S+ 0 0 77 -4,-1.8 4,-2.0 1,-0.2 3,-0.4 0.814 103.7 49.9 -62.4 -30.1 71.6 92.0 33.7 77 108 A Q H X S+ 0 0 106 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.846 106.6 55.5 -73.6 -31.3 75.2 91.9 32.3 78 109 A A H > S+ 0 0 61 -5,-0.4 4,-0.7 -4,-0.3 -2,-0.2 0.506 104.9 52.9 -77.1 -8.3 74.0 89.4 29.8 79 110 A Q H > S+ 0 0 67 -4,-0.5 4,-2.7 -3,-0.4 5,-0.3 0.825 102.0 59.5 -86.7 -47.6 71.3 92.0 28.7 80 111 A L H X S+ 0 0 29 -4,-2.0 4,-0.8 1,-0.2 5,-0.3 0.889 97.2 62.3 -43.0 -49.6 74.2 94.4 28.3 81 112 A V H >X S+ 0 0 99 -4,-1.8 4,-2.1 2,-0.2 3,-0.9 0.951 117.2 25.7 -35.1 -72.7 75.6 92.0 25.7 82 113 A A H 3X S+ 0 0 44 -4,-0.7 4,-2.9 1,-0.2 5,-0.3 0.927 115.6 59.5 -68.8 -49.0 72.6 92.3 23.4 83 114 A R H 3< S+ 0 0 141 -4,-2.7 -1,-0.2 1,-0.2 -3,-0.2 0.482 114.0 44.6 -64.5 -0.3 71.3 95.8 24.3 84 115 A K H X S+ 0 0 68 -4,-1.3 4,-2.3 2,-0.2 3,-1.7 0.954 108.5 47.6 -68.8 -48.2 76.4 98.6 17.3 89 120 A V H 3< S+ 0 0 102 -4,-2.8 -2,-0.2 1,-0.3 4,-0.2 0.717 118.3 43.9 -58.8 -23.5 74.2 97.4 14.4 90 121 A A T 3< S+ 0 0 25 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.157 110.2 53.2-113.6 13.2 72.3 100.7 14.7 91 122 A L T <> S+ 0 0 53 -3,-1.7 4,-2.9 3,-0.1 5,-0.2 0.678 114.3 40.7-104.2 -40.7 75.3 103.0 15.1 92 123 A S T < S+ 0 0 43 -4,-2.3 4,-0.3 2,-0.2 5,-0.2 0.600 115.0 53.6 -84.8 -16.0 77.1 101.7 11.9 93 124 A N T > S+ 0 0 86 -5,-0.3 4,-2.4 -4,-0.2 -1,-0.2 0.921 118.8 34.1 -72.4 -52.6 73.8 101.6 10.1 94 125 A Y H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.893 109.1 59.9 -70.8 -49.9 73.1 105.3 11.0 95 126 A Q H X S+ 0 0 97 -4,-2.9 4,-0.8 2,-0.2 -1,-0.2 0.837 118.2 36.5 -55.2 -30.8 76.6 106.9 10.9 96 127 A R H >> S+ 0 0 127 -4,-0.3 4,-2.3 -5,-0.2 3,-0.7 0.958 113.0 52.3 -81.4 -65.5 76.7 105.7 7.3 97 128 A L H 3< S+ 0 0 37 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.780 112.4 50.5 -42.1 -30.5 73.1 106.3 6.1 98 129 A S H >< S+ 0 0 36 -4,-2.5 3,-1.2 2,-0.2 4,-0.4 0.896 106.0 52.2 -77.6 -42.3 73.4 109.8 7.4 99 130 A K H X< S+ 0 0 139 -4,-0.8 3,-0.8 -3,-0.7 -2,-0.2 0.856 112.4 49.1 -55.7 -38.4 76.7 110.5 5.6 100 131 A L G >< S+ 0 0 77 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.291 85.1 82.7 -90.9 6.3 74.8 109.3 2.5 101 132 A Y G < S+ 0 0 99 -3,-1.2 3,-0.2 -5,-0.3 -1,-0.2 0.679 83.6 67.3 -67.9 -21.8 71.8 111.5 3.1 102 133 A G G < S+ 0 0 42 -3,-0.8 2,-0.7 -4,-0.4 -1,-0.2 0.593 78.1 84.9 -69.5 -10.3 74.3 114.0 1.4 103 134 A Q S < S- 0 0 128 -3,-0.7 2,-2.6 1,-0.1 3,-0.4 -0.331 105.9-114.6 -93.8 48.6 73.7 111.8 -1.7 104 135 A K S S+ 0 0 194 -2,-0.7 -1,-0.1 -3,-0.2 -3,-0.1 -0.242 92.8 45.4 69.3 -57.3 70.6 113.7 -2.7 105 136 A A + 0 0 77 -2,-2.6 -1,-0.2 -5,-0.1 3,-0.2 0.963 57.4 112.8 -83.0 -85.8 67.8 111.2 -2.3 106 137 A T S S- 0 0 41 -3,-0.4 4,-0.2 -6,-0.1 5,-0.1 0.523 78.2-119.5 -5.7 73.1 67.6 108.8 0.8 107 138 A S > - 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