==== 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 MEMBRANE PROTEIN 19-DEC-08 2W6T . COMPND 2 MOLECULE: FERRIPYOVERDINE RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.GREENWALD,M.NADER,H.CELIA,C.GRUFFAZ,J.-M.MEYER,I.J.SCHALK, . 1536 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1119 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 742 48.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 25 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 20 1.3 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 . 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 . 139 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.7 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 6 0 2 2 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 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 . 18 9 3 0 6 3 6 4 6 4 0 6 4 6 4 0 2 0 0 4 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 8 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 44 A Q 0 0 182 0, 0.0 45,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.3 -24.7 -30.6 41.4 2 45 A E - 0 0 102 45,-0.1 2,-0.3 43,-0.1 45,-0.3 0.014 360.0-170.6 -46.6 134.0 -23.2 -34.1 41.1 3 46 A V E -A 46 0A 18 43,-3.7 43,-3.5 41,-0.1 2,-0.6 -0.915 28.7-109.1-129.4 146.9 -19.5 -34.5 40.5 4 47 A E E -A 45 0A 136 -2,-0.3 2,-0.3 41,-0.2 41,-0.2 -0.681 44.6-175.0 -75.7 113.7 -17.2 -37.6 39.6 5 48 A F E +A 44 0A 3 39,-2.0 39,-2.3 -2,-0.6 2,-0.1 -0.867 24.8 161.9-117.7 149.6 -15.0 -38.4 42.7 6 49 A D E +A 43 0A 76 -2,-0.3 37,-0.2 37,-0.2 35,-0.0 -0.472 17.5 147.9-161.8 84.2 -12.2 -40.8 43.4 7 50 A I E -A 42 0A 1 35,-1.6 35,-2.0 -2,-0.1 3,-0.1 -0.965 31.2-151.1-121.2 113.7 -10.0 -40.0 46.4 8 51 A P - 0 0 65 0, 0.0 2,-0.3 0, 0.0 31,-0.1 -0.363 38.2 -76.1 -82.1 169.2 -8.6 -43.0 48.3 9 52 A P S S+ 0 0 84 0, 0.0 2,-0.2 0, 0.0 31,-0.1 -0.455 77.1 127.3 -68.6 122.9 -7.7 -43.0 52.1 10 53 A Q - 0 0 46 -2,-0.3 29,-1.8 29,-0.1 -3,-0.0 -0.748 65.4 -31.2-152.5-170.1 -4.5 -41.0 52.6 11 54 A A B > -B 38 0B 59 -2,-0.2 4,-2.3 27,-0.2 27,-0.2 -0.325 58.3-124.2 -52.2 137.0 -3.2 -38.1 54.7 12 55 A L H > S+ 0 0 1 25,-2.5 4,-2.7 22,-0.5 5,-0.2 0.888 110.7 57.6 -57.5 -41.5 -6.1 -35.6 55.4 13 56 A G H > S+ 0 0 16 21,-0.4 4,-2.1 24,-0.2 -1,-0.2 0.981 110.1 40.7 -45.4 -68.2 -3.9 -32.9 53.9 14 57 A S H > S+ 0 0 45 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.849 114.0 54.1 -49.8 -42.1 -3.5 -34.6 50.5 15 58 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.956 108.8 48.1 -63.7 -48.5 -7.1 -35.7 50.5 16 59 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.857 113.3 47.7 -58.6 -38.3 -8.3 -32.2 51.0 17 60 A Q H X S+ 0 0 16 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.931 111.4 48.9 -69.3 -44.7 -6.1 -30.9 48.3 18 61 A E H X S+ 0 0 24 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.797 110.4 56.9 -63.7 -28.5 -7.2 -33.7 45.8 19 62 A F H X S+ 0 0 2 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.976 104.0 46.4 -67.3 -55.3 -10.8 -32.7 46.9 20 63 A G H X>S+ 0 0 5 -4,-1.9 5,-2.4 1,-0.2 4,-0.8 0.846 116.1 50.9 -54.0 -33.0 -10.7 -29.0 45.9 21 64 A R H ><5S+ 0 0 41 -4,-1.5 3,-0.9 1,-0.2 -1,-0.2 0.965 113.0 41.3 -70.0 -52.6 -9.2 -30.2 42.7 22 65 A Q H 3<5S+ 0 0 35 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.703 121.6 43.3 -69.6 -17.8 -11.8 -32.8 41.9 23 66 A A H 3<5S- 0 0 10 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.472 102.2-122.2-110.1 -4.8 -14.6 -30.5 43.0 24 67 A D T <<5S+ 0 0 45 -3,-0.9 2,-0.3 -4,-0.8 -3,-0.2 0.960 73.8 121.0 53.1 55.4 -13.6 -27.2 41.5 25 68 A I < - 0 0 37 -5,-2.4 2,-0.5 -6,-0.1 -1,-0.2 -0.999 67.8-116.0-146.0 142.7 -13.6 -25.6 45.0 26 69 A Q E -c 69 0C 4 42,-2.8 44,-2.5 -2,-0.3 2,-0.5 -0.742 29.7-162.7 -82.3 130.8 -11.2 -23.9 47.3 27 70 A V E -c 70 0C 0 -2,-0.5 2,-0.5 42,-0.2 64,-0.4 -0.962 3.3-166.9-115.5 117.3 -10.6 -25.9 50.5 28 71 A L E +c 71 0C 16 42,-2.5 44,-2.8 -2,-0.5 2,-0.3 -0.916 16.5 160.9-110.5 130.2 -9.1 -24.1 53.5 29 72 A Y B -E 89 0D 5 60,-2.0 60,-2.8 -2,-0.5 44,-0.1 -0.973 40.9-109.2-146.4 155.0 -7.7 -26.0 56.5 30 73 A R >> - 0 0 54 42,-0.4 3,-2.0 -2,-0.3 4,-1.6 -0.780 22.0-144.5 -91.0 115.9 -5.4 -25.6 59.4 31 74 A P H 3> S+ 0 0 12 0, 0.0 4,-1.1 0, 0.0 3,-0.4 0.890 98.8 51.4 -42.7 -56.6 -2.1 -27.5 59.1 32 75 A E H 34 S+ 0 0 62 1,-0.2 -2,-0.0 2,-0.2 391,-0.0 0.582 109.5 53.2 -66.1 -8.9 -1.8 -28.4 62.8 33 76 A E H <4 S+ 0 0 29 -3,-2.0 -1,-0.2 1,-0.1 40,-0.0 0.829 111.2 40.7 -94.2 -37.4 -5.4 -29.8 62.8 34 77 A V H >< S+ 0 0 10 -4,-1.6 3,-1.7 -3,-0.4 -22,-0.5 0.497 83.6 122.6 -87.5 -3.1 -5.2 -32.2 59.9 35 78 A R T 3< S+ 0 0 121 -4,-1.1 3,-0.1 1,-0.3 -5,-0.0 -0.407 85.3 5.5 -59.5 124.2 -1.7 -33.5 60.9 36 79 A N T 3 S+ 0 0 144 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.734 101.3 126.4 78.0 25.4 -1.9 -37.3 61.4 37 80 A K < - 0 0 66 -3,-1.7 -25,-2.5 0, 0.0 2,-0.4 -0.856 49.4-139.3-116.6 152.6 -5.4 -37.6 60.2 38 81 A R B -B 11 0B 185 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.2 -0.936 8.3-137.3-113.1 133.0 -6.8 -40.0 57.6 39 82 A S - 0 0 3 -29,-1.8 17,-0.2 -2,-0.4 2,-0.2 -0.625 25.6-125.6 -71.8 142.4 -9.5 -39.2 55.0 40 83 A S - 0 0 24 15,-2.9 2,-0.1 -2,-0.3 -30,-0.1 -0.564 39.3 -85.9 -89.2 162.1 -12.0 -42.0 54.5 41 84 A A - 0 0 59 -2,-0.2 2,-0.3 -32,-0.1 -1,-0.1 -0.396 41.0-174.9 -79.9 142.2 -12.5 -43.3 50.9 42 85 A I E +A 7 0A 5 -35,-2.0 -35,-1.6 -2,-0.1 2,-0.3 -0.998 6.2 170.9-133.8 140.8 -14.9 -41.8 48.3 43 86 A K E +A 6 0A 157 -2,-0.3 2,-0.3 -37,-0.2 -37,-0.2 -0.754 37.5 8.7-157.1 100.6 -15.7 -43.2 44.8 44 87 A G E S-A 5 0A 20 -39,-2.3 -39,-2.0 -2,-0.3 2,-0.9 -0.834 94.7 -11.2 135.3-168.2 -18.4 -42.2 42.2 45 88 A K E S+A 4 0A 145 -2,-0.3 2,-0.4 -41,-0.2 -41,-0.2 -0.528 75.0 163.6 -70.9 102.6 -21.0 -39.7 41.1 46 89 A L E -A 3 0A 28 -43,-3.5 -43,-3.7 -2,-0.9 -2,-0.1 -0.929 46.1-119.2-128.3 147.8 -21.5 -37.6 44.3 47 90 A E >> - 0 0 77 -2,-0.4 4,-2.9 -45,-0.3 3,-0.9 -0.723 38.1-122.6 -76.2 133.4 -23.0 -34.3 45.3 48 91 A P H 3> S+ 0 0 30 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.762 110.6 51.6 -57.4 -32.8 -20.0 -32.3 46.7 49 92 A N H 3> S+ 0 0 79 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.892 114.2 44.0 -67.8 -38.2 -21.7 -31.8 50.2 50 93 A Q H <> S+ 0 0 111 -3,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.909 114.3 52.5 -71.5 -37.8 -22.3 -35.5 50.4 51 94 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.852 108.3 46.7 -68.7 -38.1 -18.8 -36.2 49.1 52 95 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.901 110.3 54.0 -72.8 -33.8 -16.9 -34.0 51.6 53 96 A T H X S+ 0 0 77 -4,-1.4 4,-0.7 2,-0.2 -2,-0.2 0.947 109.8 46.6 -65.9 -47.9 -18.9 -35.4 54.5 54 97 A E H >< S+ 0 0 83 -4,-2.0 3,-1.7 1,-0.2 -14,-0.2 0.956 111.1 53.3 -48.2 -58.9 -18.0 -39.1 53.6 55 98 A L H 3< S+ 0 0 0 -4,-2.0 -15,-2.9 1,-0.3 -1,-0.2 0.822 110.5 47.0 -46.6 -42.1 -14.3 -38.1 53.1 56 99 A L H ><>S+ 0 0 11 -4,-2.0 3,-2.8 -17,-0.2 5,-0.5 0.566 79.5 127.0 -83.2 -9.4 -14.2 -36.5 56.6 57 100 A R T <<5S+ 0 0 183 -3,-1.7 -17,-0.2 -4,-0.7 -3,-0.0 -0.176 81.7 15.8 -48.0 132.9 -15.9 -39.5 58.3 58 101 A G T 3 5S+ 0 0 86 1,-0.1 -1,-0.3 -19,-0.1 -20,-0.1 0.169 104.4 92.5 85.7 -23.0 -13.6 -40.5 61.1 59 102 A T T < 5S- 0 0 4 -3,-2.8 -2,-0.2 2,-0.1 3,-0.1 0.606 85.9-131.3 -83.1 -12.4 -11.6 -37.3 61.1 60 103 A G T 5 + 0 0 58 -4,-0.4 2,-0.3 1,-0.2 15,-0.1 0.785 60.5 142.1 64.9 29.7 -13.7 -35.4 63.7 61 104 A A < - 0 0 21 -5,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.733 42.3-144.8-111.5 150.5 -13.8 -32.4 61.3 62 105 A S E -D 73 0C 65 11,-4.0 11,-2.0 -2,-0.3 2,-0.5 -0.828 9.0-140.3-113.2 148.2 -16.5 -29.9 60.5 63 106 A V E -D 72 0C 37 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.924 5.2-162.3-111.8 135.0 -17.3 -28.2 57.1 64 107 A D E -D 71 0C 59 7,-2.5 7,-1.6 -2,-0.5 2,-0.6 -0.955 18.8-145.1-106.2 108.0 -18.3 -24.6 56.7 65 108 A F E +D 70 0C 103 -2,-0.6 5,-0.2 5,-0.2 3,-0.1 -0.695 27.6 167.7 -78.8 120.7 -20.0 -24.2 53.3 66 109 A Q E > -D 69 0C 54 3,-2.6 3,-1.1 -2,-0.6 2,-0.4 -0.408 51.3 -93.9-133.2 63.9 -19.0 -20.8 51.9 67 110 A G T 3 S+ 0 0 62 1,-0.3 -1,-0.2 -42,-0.0 34,-0.1 -0.534 109.8 3.4 74.3-121.1 -19.9 -20.6 48.2 68 111 A N T 3 S+ 0 0 33 -2,-0.4 -42,-2.8 29,-0.2 2,-0.4 0.413 132.6 62.3 -80.1 11.0 -17.0 -21.5 46.0 69 112 A A E < -cD 26 66C 6 -3,-1.1 -3,-2.6 -44,-0.2 2,-0.4 -0.981 60.0-164.5-133.8 143.9 -15.0 -22.3 49.2 70 113 A I E -cD 27 65C 4 -44,-2.5 -42,-2.5 -2,-0.4 2,-0.5 -0.999 10.7-154.7-117.1 124.9 -15.3 -24.7 52.1 71 114 A T E -cD 28 64C 25 -7,-1.6 -7,-2.5 -2,-0.4 2,-0.3 -0.903 9.9-150.3 -96.3 135.8 -13.4 -24.2 55.3 72 115 A I E + D 0 63C 1 -44,-2.8 -42,-0.4 -2,-0.5 2,-0.3 -0.764 18.2 178.1 -99.8 138.8 -12.6 -27.3 57.4 73 116 A S E - D 0 62C 49 -11,-2.0 -11,-4.0 -2,-0.3 2,-0.4 -0.959 26.1-143.2-143.6 159.2 -12.3 -27.1 61.2 74 117 A V - 0 0 11 -2,-0.3 -13,-0.2 -13,-0.2 -2,-0.0 -0.770 23.1-151.5-128.2 82.3 -11.7 -29.5 64.1 75 118 A A - 0 0 71 -2,-0.4 2,-0.3 -15,-0.1 -2,-0.0 -0.261 9.2-157.2 -53.9 134.6 -13.7 -28.5 67.2 76 119 A E - 0 0 110 1,-0.1 -1,-0.0 0, 0.0 -2,-0.0 -0.830 24.8-131.1-107.6 150.9 -12.3 -29.4 70.6 77 120 A A S S+ 0 0 118 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.804 111.4 53.1 -67.2 -34.3 -14.2 -29.8 73.9 78 121 A A + 0 0 87 -3,-0.0 -1,-0.1 2,-0.0 -3,-0.0 0.959 69.2 149.1 -63.5 -56.7 -11.5 -27.6 75.4 79 122 A D + 0 0 103 1,-0.1 3,-0.1 2,-0.0 -4,-0.0 0.662 18.5 178.5 6.8 97.2 -11.6 -24.5 72.9 80 123 A S - 0 0 119 1,-0.3 2,-0.2 0, 0.0 -1,-0.1 0.347 59.8 -10.7-108.9 -5.3 -10.6 -21.6 75.2 81 124 A S S S- 0 0 79 417,-0.0 2,-0.5 2,-0.0 -1,-0.3 -0.836 77.5 -97.8 179.4 170.6 -10.5 -18.6 72.8 82 125 A V - 0 0 82 -2,-0.2 2,-1.0 -3,-0.1 0, 0.0 -0.873 13.2-157.7-116.7 121.0 -10.8 -18.2 69.1 83 126 A D > + 0 0 19 -2,-0.5 3,-1.1 1,-0.2 416,-0.1 -0.732 16.4 176.6 -88.5 92.3 -8.0 -17.6 66.5 84 127 A L T 3 S+ 0 0 65 -2,-1.0 2,-0.2 414,-0.7 -1,-0.2 0.921 80.7 43.1 -70.5 -42.2 -9.8 -16.0 63.5 85 128 A G T 3 S+ 0 0 2 413,-0.4 -1,-0.3 448,-0.1 2,-0.1 -0.276 82.9 160.1 -90.9 46.2 -6.7 -15.5 61.4 86 129 A A < - 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