==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 02-NOV-12 4HUL . COMPND 2 MOLECULE: MULTIDRUG EFFLUX PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; . AUTHOR M.LU . 550 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 53.1 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 . 21 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 45 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 7 2 1 3 1 0 0 2 0 0 2 0 0 1 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 . 1 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 5 A L 0 0 215 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 14.2 8.0 -63.9 -4.3 2 6 A D + 0 0 158 1,-0.0 2,-0.2 0, 0.0 3,-0.0 0.579 360.0 3.1-110.7 -48.2 8.6 -60.2 -5.3 3 7 A R + 0 0 148 1,-0.1 5,-0.0 5,-0.0 -1,-0.0 -0.773 57.2 160.9-138.6 97.1 6.0 -58.9 -2.8 4 8 A F S S+ 0 0 144 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 0.083 75.9 80.6 -91.1 14.9 4.2 -61.4 -0.5 5 9 A S S S- 0 0 29 1,-0.2 3,-0.4 435,-0.0 -1,-0.1 -0.870 88.8-157.4-109.2 88.4 3.5 -58.1 1.4 6 10 A F + 0 0 143 -2,-0.5 2,-1.5 436,-0.4 -1,-0.2 0.864 56.1 8.9 -49.3-101.4 0.6 -57.4 -1.0 7 11 A S S S+ 0 0 64 435,-0.3 -1,-0.2 1,-0.2 -4,-0.0 -0.640 78.4 174.9 -91.4 81.8 -1.0 -53.9 -1.7 8 12 A V + 0 0 45 -2,-1.5 -1,-0.2 -3,-0.4 -2,-0.1 0.953 56.4 36.7 -58.9 -77.5 1.7 -51.9 0.2 9 13 A F S S+ 0 0 168 2,-0.1 -1,-0.1 312,-0.0 -2,-0.1 0.880 83.8 102.1 -49.7 -61.8 1.4 -48.1 -0.1 10 14 A L + 0 0 83 1,-0.2 -3,-0.1 311,-0.0 3,-0.0 0.068 28.7 118.6 -42.3 98.6 -2.4 -47.6 -0.1 11 15 A K + 0 0 23 307,-0.1 311,-0.3 308,-0.0 2,-0.3 -0.311 64.5 99.5-142.1 47.3 -3.2 -46.5 3.3 12 16 A E + 0 0 88 309,-0.1 2,-0.1 2,-0.1 307,-0.1 -0.993 17.7 123.3-149.9 143.4 -4.5 -43.2 1.8 13 17 A I S S- 0 0 139 -2,-0.3 2,-0.1 -3,-0.0 3,-0.1 -0.162 98.0 -34.4-148.7-106.7 -7.5 -41.2 0.6 14 18 A R S S+ 0 0 154 -2,-0.1 3,-0.4 1,-0.1 -2,-0.1 -0.602 86.7 139.2-120.8 69.9 -7.9 -37.7 2.2 15 19 A L > + 0 0 34 1,-0.2 3,-0.9 -2,-0.1 -1,-0.1 0.395 28.0 113.5 -93.7 -3.9 -6.5 -38.8 5.6 16 20 A L T 3 S+ 0 0 151 1,-0.3 2,-0.2 -3,-0.1 -1,-0.2 0.720 77.2 61.8 -33.8 -28.6 -4.4 -35.5 6.1 17 21 A T T 3 + 0 0 95 -3,-0.4 2,-0.8 2,-0.1 -1,-0.3 -0.468 60.6 129.3-107.7 52.5 -7.0 -35.1 8.9 18 22 A A < - 0 0 30 -3,-0.9 2,-1.0 -2,-0.2 -3,-0.1 -0.910 41.7-169.8 -96.8 96.3 -6.2 -38.2 11.1 19 23 A L + 0 0 121 -2,-0.8 2,-0.6 1,-0.1 -2,-0.1 -0.602 33.5 143.1 -99.4 69.0 -6.0 -36.2 14.4 20 24 A A + 0 0 20 -2,-1.0 3,-0.1 1,-0.2 -1,-0.1 -0.610 27.2 129.9 -96.3 63.8 -4.6 -38.4 17.1 21 25 A L >> + 0 0 112 -2,-0.6 3,-0.8 1,-0.2 4,-0.7 0.679 68.6 58.2 -86.9 -30.4 -2.7 -35.4 18.6 22 26 A P T 34 S+ 0 0 29 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.363 93.4 70.4 -72.1 1.2 -4.0 -36.2 22.0 23 27 A M T 34 S+ 0 0 31 2,-0.1 277,-0.2 1,-0.1 276,-0.1 -0.041 96.2 51.8-102.0 22.6 -2.4 -39.7 21.5 24 28 A L T X> S+ 0 0 50 -3,-0.8 3,-1.9 275,-0.1 4,-0.5 0.440 97.9 62.0-120.1 -32.7 1.0 -37.9 21.9 25 29 A L T 3< S+ 0 0 46 -4,-0.7 141,-0.4 1,-0.3 140,-0.2 0.318 90.9 70.8 -75.7 4.8 -0.1 -36.3 25.1 26 30 A A T 34 S+ 0 0 32 269,-0.1 -1,-0.3 266,-0.1 -3,-0.1 0.534 113.7 25.6 -81.4 -17.7 -0.3 -40.0 26.1 27 31 A Q T <4 S+ 0 0 1 -3,-1.9 -2,-0.2 2,-0.1 268,-0.1 0.241 106.7 71.3-133.7 12.7 3.6 -39.8 25.9 28 32 A V S X S+ 0 0 44 -4,-0.5 4,-0.6 2,-0.2 -3,-0.2 0.454 101.0 52.9 -94.0 -11.5 4.4 -36.0 26.6 29 33 A A T 4 S+ 0 0 5 -5,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.415 101.9 62.9 -86.7 -6.7 3.3 -37.0 30.1 30 34 A Q T > S+ 0 0 33 2,-0.2 4,-1.0 3,-0.1 -2,-0.2 0.440 98.1 49.9-103.2 -8.8 5.9 -39.7 29.6 31 35 A V H > S+ 0 0 52 2,-0.1 4,-0.9 3,-0.1 -2,-0.2 0.749 104.7 63.2 -78.9 -40.9 8.7 -37.2 29.3 32 36 A G H < S+ 0 0 0 -4,-0.6 -2,-0.2 1,-0.2 141,-0.2 0.705 117.3 24.8 -47.9 -30.7 7.0 -36.0 32.5 33 37 A I H >> S+ 0 0 63 -4,-0.2 3,-1.2 2,-0.1 4,-0.7 0.650 112.3 64.4-109.0 -34.1 7.9 -39.4 34.3 34 38 A G H 3< S+ 0 0 28 -4,-1.0 4,-0.3 1,-0.2 -2,-0.2 0.696 105.6 58.0 -52.9 -15.6 10.9 -40.5 32.3 35 39 A F T 3< S+ 0 0 83 -4,-0.9 4,-0.3 2,-0.2 -1,-0.2 0.145 86.9 60.6-120.0 19.5 12.3 -37.2 33.9 36 40 A V T X> S+ 0 0 16 -3,-1.2 3,-2.6 2,-0.1 4,-0.6 0.796 93.8 82.8 -82.8 -66.0 12.1 -37.5 37.7 37 41 A D G >< S+ 0 0 91 -4,-0.7 3,-0.6 1,-0.3 4,-0.4 0.368 96.3 29.8 32.6 -84.2 14.4 -40.3 36.8 38 42 A T G 3> S+ 0 0 42 -4,-0.3 4,-4.9 2,-0.2 -1,-0.3 0.793 104.1 74.0 -83.2 -29.0 17.6 -38.3 36.5 39 43 A V G <4 S+ 0 0 50 -3,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.441 111.4 35.1 -69.8 1.8 16.8 -35.5 39.1 40 44 A M T XX S+ 0 0 8 -3,-0.6 4,-1.3 -4,-0.6 3,-0.5 0.340 111.9 57.9-120.7 -9.7 17.5 -38.4 41.5 41 45 A A T 34 S+ 0 0 34 -4,-0.4 2,-0.2 -5,-0.4 -2,-0.2 0.925 124.3 28.0 -67.2 -51.0 20.3 -39.9 39.4 42 46 A G T 3< S+ 0 0 56 -4,-4.9 -1,-0.2 1,-0.1 3,-0.1 -0.377 118.9 58.6-102.3 48.8 21.7 -36.4 39.8 43 47 A G T X4 S+ 0 0 23 -3,-0.5 3,-1.1 -2,-0.2 2,-1.0 0.404 100.2 55.9-135.9 -47.9 20.1 -35.7 43.2 44 48 A A T 3< S+ 0 0 0 -4,-1.3 8,-0.1 1,-0.2 -4,-0.1 -0.559 84.6 88.1 -76.6 53.1 21.7 -38.8 44.8 45 49 A G T 3 + 0 0 37 -2,-1.0 -1,-0.2 -3,-0.1 5,-0.2 0.377 63.0 79.9-115.3 -28.6 25.0 -37.3 43.8 46 50 A K S < S+ 0 0 199 -3,-1.1 2,-0.5 1,-0.1 -2,-0.1 0.920 98.3 53.2 -31.9 -50.5 25.1 -35.3 47.1 47 51 A E S S- 0 0 69 -4,-0.1 3,-0.3 1,-0.1 -1,-0.1 -0.853 84.2-162.2 -87.3 124.5 26.2 -38.9 47.9 48 52 A D S S+ 0 0 151 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.1 0.884 90.4 54.1 -83.5 -41.3 29.1 -39.7 45.5 49 53 A L S S+ 0 0 124 1,-0.2 2,-0.6 3,-0.0 -1,-0.2 0.295 84.8 112.7 -73.5 11.3 29.1 -43.6 45.9 50 54 A A + 0 0 11 -3,-0.3 2,-0.8 -5,-0.2 -1,-0.2 -0.521 18.2 135.7 -86.3 52.2 25.5 -42.8 44.9 51 55 A A + 0 0 57 -2,-0.6 -6,-0.1 1,-0.1 -10,-0.1 -0.947 31.6 155.3 -67.6 112.2 25.9 -44.4 41.8 52 56 A V >> + 0 0 7 -2,-0.8 3,-1.3 -8,-0.1 4,-0.8 0.578 43.9 84.5-129.7 -34.7 22.5 -45.7 43.0 53 57 A A H 3>> + 0 0 43 1,-0.3 4,-2.3 2,-0.2 5,-0.6 0.744 61.0 111.8 -44.2 -22.1 20.7 -46.6 39.7 54 58 A L H 345S+ 0 0 98 1,-0.3 -1,-0.3 2,-0.2 80,-0.1 0.568 98.0 15.0 -30.4 -22.9 22.8 -49.9 40.4 55 59 A G H X>5S+ 0 0 1 -3,-1.3 3,-4.2 60,-0.0 4,-1.3 0.559 117.2 73.9-111.0 -48.6 19.4 -51.4 41.1 56 60 A S H 3X5S+ 0 0 49 -4,-0.8 4,-0.8 1,-0.3 -2,-0.2 0.594 106.5 35.5 -51.0 -23.6 17.1 -48.7 39.5 57 61 A S H 3<5S+ 0 0 76 -4,-2.3 -1,-0.3 2,-0.1 -3,-0.1 0.259 124.3 46.5-107.0 7.5 18.0 -49.7 35.8 58 62 A A H <4X S+ 0 0 19 -4,-1.3 2,-5.4 -6,-0.2 3,-1.6 0.703 95.5 69.3 -90.3 -53.6 14.9 -53.0 38.9 60 64 A A T 3< S+ 0 0 34 -4,-0.8 4,-0.2 1,-0.3 -4,-0.1 0.132 82.6 85.6 -57.2 33.4 13.1 -51.5 35.8 61 65 A T T 3> S+ 0 0 56 -2,-5.4 4,-2.1 3,-0.1 -1,-0.3 0.834 97.4 28.0 -92.2 -63.6 13.6 -55.0 34.7 62 66 A V T <4 S+ 0 0 22 -3,-1.6 -2,-0.2 2,-0.2 49,-0.1 0.188 120.0 62.5 -91.9 10.3 10.4 -56.3 36.3 63 67 A Y T >X S+ 0 0 32 -4,-0.6 4,-2.8 3,-0.1 3,-1.0 0.682 113.2 27.1 -81.1 -86.6 8.9 -52.9 35.9 64 68 A I H 3> S+ 0 0 59 1,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.667 121.3 55.2 -60.8 -22.6 8.9 -52.6 32.1 65 69 A T H 3X S+ 0 0 24 -4,-2.1 4,-0.8 2,-0.2 -1,-0.3 0.930 116.7 35.1 -72.9 -44.6 8.8 -56.3 31.4 66 70 A F H <> S+ 0 0 45 -3,-1.0 4,-2.1 -5,-0.2 -2,-0.2 0.789 112.0 69.0 -66.9 -31.6 5.5 -56.8 33.5 67 71 A M H X S+ 0 0 12 -4,-2.8 4,-2.7 2,-0.2 5,-0.4 0.944 90.4 57.7 -45.3 -59.4 4.6 -53.3 32.2 68 72 A G H < S+ 0 0 0 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.925 104.4 51.3 -41.4 -62.0 4.2 -54.7 28.7 69 73 A I H >< S+ 0 0 23 -4,-0.8 3,-1.6 1,-0.2 -1,-0.2 0.917 116.7 41.8 -35.2 -63.5 1.6 -57.1 30.0 70 74 A M H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.3 4,-0.2 0.928 111.5 49.3 -59.3 -60.3 -0.2 -54.2 31.6 71 75 A A T 3< S+ 0 0 2 -4,-2.7 3,-0.4 1,-0.3 -1,-0.3 0.447 96.2 86.1 -57.6 8.1 0.1 -51.5 28.8 72 76 A A T < S+ 0 0 4 -3,-1.6 4,-0.4 -4,-0.4 -1,-0.3 0.334 73.7 68.2 -88.0 1.9 -1.3 -54.7 26.9 73 77 A L <> + 0 0 0 -3,-1.7 4,-1.6 1,-0.2 5,-0.4 0.626 61.3 103.3 -93.6 -20.9 -4.8 -53.7 27.7 74 78 A N H > S+ 0 0 4 -3,-0.4 4,-1.2 -4,-0.2 5,-0.3 0.745 89.1 44.0 -40.4 -31.6 -4.9 -50.6 25.6 75 79 A P H >>>S+ 0 0 9 0, 0.0 4,-2.8 0, 0.0 3,-1.5 0.966 105.8 58.2 -69.5 -76.4 -7.0 -52.7 23.2 76 80 A M H 3>5S+ 0 0 19 -4,-0.4 4,-1.2 1,-0.3 -2,-0.2 0.675 119.5 31.1 -10.9 -67.5 -9.2 -54.4 25.7 77 81 A I H 3<5S+ 0 0 4 -4,-1.6 -1,-0.3 79,-0.3 -3,-0.1 0.673 122.6 44.6 -88.7 -22.3 -10.5 -50.9 26.8 78 82 A A H X<5S+ 0 0 0 -3,-1.5 3,-2.5 -4,-1.2 4,-0.2 0.920 113.5 54.4 -74.2 -47.5 -10.2 -48.8 23.7 79 83 A Q H ><5S+ 0 0 58 -4,-2.8 3,-0.7 1,-0.3 -2,-0.2 0.733 106.2 49.3 -56.2 -34.2 -11.8 -51.7 21.7 80 84 A L G ><> + 0 0 76 1,-0.2 4,-1.5 2,-0.0 3,-0.8 -0.808 35.5 179.3-106.6 104.5 -19.9 -50.3 29.4 86 90 A T T 34 S+ 0 0 11 -2,-0.8 7,-0.2 1,-0.2 -1,-0.2 0.566 89.9 64.9 -62.3 -14.4 -16.8 -48.9 30.8 87 91 A G T 34 S+ 0 0 18 2,-0.3 -1,-0.2 3,-0.2 7,-0.1 0.533 108.0 35.0 -92.9 -13.5 -17.9 -51.1 33.8 88 92 A E T <4 S+ 0 0 68 -3,-0.8 -2,-0.2 2,-0.2 -1,-0.1 0.397 122.6 45.5-105.7 -18.7 -17.5 -54.4 32.0 89 93 A A S X S+ 0 0 3 -4,-1.5 4,-2.0 3,-0.1 -2,-0.3 0.574 121.7 41.6 -78.2 -17.0 -14.6 -52.7 30.3 90 94 A G T 4 S+ 0 0 0 2,-0.3 4,-0.5 3,-0.2 -2,-0.2 0.598 100.7 63.9-102.2 -19.1 -14.0 -51.8 34.0 91 95 A E T > S+ 0 0 38 2,-0.2 4,-1.4 3,-0.2 -3,-0.1 0.616 117.2 36.8 -70.5 -18.0 -14.9 -55.2 35.5 92 96 A T H >>S+ 0 0 10 2,-0.2 4,-3.6 3,-0.2 5,-0.6 0.836 110.2 58.5 -83.8 -61.2 -11.8 -55.8 33.4 93 97 A G H <5S+ 0 0 4 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.578 118.9 36.0 -44.4 -14.7 -10.4 -52.4 34.3 94 98 A R H >>5S+ 0 0 44 -4,-0.5 4,-2.0 2,-0.1 3,-0.8 0.737 110.7 56.5 -94.9 -59.7 -10.7 -53.8 37.8 95 99 A Q H 3X5S+ 0 0 4 -4,-1.4 4,-1.1 1,-0.3 -2,-0.2 0.767 117.2 41.1 -50.9 -27.9 -9.9 -57.6 37.1 96 100 A G H 3X5S+ 0 0 0 -4,-3.6 4,-5.7 2,-0.2 -1,-0.3 0.830 105.6 59.7 -80.5 -40.5 -6.6 -56.2 35.7 97 101 A I H <4X>S+ 0 0 33 -4,-1.1 2,-6.0 -5,-0.3 4,-2.8 0.985 103.4 71.0 -51.6 -61.9 -3.5 -58.1 38.3 100 104 A G H 3<5S+ 0 0 0 -4,-5.7 50,-0.6 1,-0.3 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-2,-0.2 1,-0.3 -1,-0.2 0.819 105.7 78.1 -32.1 -48.7 14.3 -63.0 45.7 114 118 A A H 3< + 0 0 39 -4,-2.5 2,-1.3 1,-0.2 -1,-0.3 0.739 60.4 90.6 -12.1 -80.5 16.2 -60.5 43.6 115 119 A I << + 0 0 47 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.0 -0.022 50.4 101.8 -68.1 76.9 18.7 -59.0 45.7 116 120 A T + 0 0 90 -2,-1.3 -1,-0.2 1,-0.0 -2,-0.0 -0.267 19.7 141.9-142.5 56.0 21.8 -61.2 45.4 117 121 A P + 0 0 72 0, 0.0 2,-2.7 0, 0.0 -2,-0.1 0.314 44.0 114.7 -61.1 3.2 24.1 -59.3 43.0 118 122 A F + 0 0 149 2,-0.0 2,-0.3 -3,-0.0 10,-0.1 -0.479 59.5 98.3 -68.5 69.2 26.6 -60.8 45.5 119 123 A R - 0 0 186 -2,-2.7 2,-0.3 8,-0.5 -3,-0.0 -0.934 55.2-153.9-159.0 163.1 27.9 -62.7 42.5 120 124 A N + 0 0 104 -2,-0.3 7,-0.1 1,-0.1 3,-0.1 -0.974 38.6 125.1-159.2 139.8 30.7 -62.7 39.8 121 125 A W S S+ 0 0 236 1,-0.4 2,-0.3 5,-0.3 6,-0.1 0.323 77.2 11.4-154.6 -17.8 32.0 -63.7 36.4 122 126 A L S S- 0 0 94 4,-0.4 -1,-0.4 1,-0.2 4,-0.2 -0.956 84.4 -27.7-159.5-178.1 33.2 -60.4 34.6 123 127 A T - 0 0 64 -2,-0.3 3,-0.2 146,-0.2 -1,-0.2 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