==== 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 14-OCT-08 2W16 . 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, . 1534 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1097 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 741 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 . 24 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 19 1.2 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 . 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 . 120 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.6 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 5 1 3 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 16 9 3 0 7 1 7 4 6 4 0 6 4 4 6 0 2 0 0 4 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 6 1 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 0 190 0, 0.0 45,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.4 -23.0 -31.0 42.2 2 45 A E - 0 0 115 45,-0.1 45,-0.3 1,-0.1 2,-0.3 0.057 360.0-178.2 -52.1 120.8 -21.8 -34.6 41.5 3 46 A V E -A 46 0A 19 43,-3.3 43,-2.8 41,-0.1 2,-0.6 -0.786 30.1-113.3-117.5 154.6 -18.0 -34.9 40.9 4 47 A E E -A 45 0A 136 -2,-0.3 2,-0.3 41,-0.3 41,-0.3 -0.789 39.7-165.6 -91.5 119.7 -15.8 -37.9 40.1 5 48 A F E +A 44 0A 7 39,-2.9 39,-2.6 -2,-0.6 14,-0.0 -0.804 28.2 165.4-113.1 148.8 -13.4 -38.8 42.9 6 49 A D E +A 43 0A 83 -2,-0.3 37,-0.2 37,-0.2 -2,-0.0 -0.465 24.1 143.4-151.1 74.3 -10.2 -40.9 43.4 7 50 A I E -A 42 0A 0 35,-2.0 35,-2.2 33,-0.1 3,-0.1 -0.879 27.7-165.0-125.0 100.1 -8.5 -40.0 46.7 8 51 A P - 0 0 61 0, 0.0 31,-0.2 0, 0.0 32,-0.1 -0.371 41.0 -68.8 -75.9 159.3 -6.8 -42.9 48.5 9 52 A P S S+ 0 0 64 0, 0.0 2,-0.3 0, 0.0 31,-0.1 -0.200 75.5 127.1 -47.9 130.9 -5.6 -42.9 52.2 10 53 A Q - 0 0 30 29,-0.2 29,-2.0 -3,-0.1 5,-0.1 -0.922 67.9 -36.2-168.8 176.2 -2.5 -40.7 52.7 11 54 A A B > -B 38 0B 48 -2,-0.3 4,-2.4 27,-0.2 3,-0.3 -0.316 59.6-122.7 -49.3 127.7 -1.4 -37.8 55.0 12 55 A L H > S+ 0 0 0 25,-2.4 4,-2.3 22,-0.4 5,-0.2 0.808 111.9 60.1 -48.3 -32.6 -4.5 -35.7 55.6 13 56 A G H > S+ 0 0 12 21,-0.4 4,-2.3 24,-0.3 -1,-0.2 0.979 107.6 42.5 -60.8 -58.2 -2.5 -32.7 54.1 14 57 A S H > S+ 0 0 36 -3,-0.3 4,-2.9 1,-0.2 5,-0.3 0.908 112.6 54.1 -49.3 -49.2 -2.0 -34.4 50.8 15 58 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.907 108.4 49.6 -58.6 -40.8 -5.6 -35.6 50.8 16 59 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.909 111.7 47.5 -67.8 -39.9 -6.9 -32.1 51.3 17 60 A Q H X S+ 0 0 13 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.906 113.0 48.5 -65.7 -40.3 -4.7 -30.7 48.5 18 61 A E H X S+ 0 0 21 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.886 110.9 53.2 -64.7 -37.9 -5.9 -33.6 46.2 19 62 A F H X S+ 0 0 1 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.917 105.8 50.9 -64.2 -45.3 -9.5 -32.8 47.2 20 63 A G H <>S+ 0 0 4 -4,-2.3 5,-2.4 2,-0.2 4,-0.5 0.872 114.5 46.1 -56.7 -40.6 -9.3 -29.1 46.4 21 64 A R H ><5S+ 0 0 35 -4,-1.5 3,-1.2 1,-0.2 -2,-0.2 0.969 114.4 42.9 -68.2 -59.4 -7.9 -30.0 43.0 22 65 A Q H 3<5S+ 0 0 34 -4,-2.8 -1,-0.2 1,-0.3 -18,-0.2 0.719 120.8 43.1 -61.4 -22.5 -10.3 -32.8 42.0 23 66 A A T 3<5S- 0 0 10 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.413 103.3-126.6-109.7 1.0 -13.3 -30.8 43.3 24 67 A D T < 5S+ 0 0 49 -3,-1.2 2,-0.3 -4,-0.5 -3,-0.2 0.885 70.8 119.2 55.2 46.7 -12.3 -27.4 41.9 25 68 A I < - 0 0 39 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.2 -0.939 68.7-110.4-138.7 150.2 -12.7 -25.9 45.3 26 69 A Q E -c 69 0C 4 42,-2.9 44,-3.0 -2,-0.3 2,-0.5 -0.800 28.9-160.6 -88.5 125.8 -10.3 -24.1 47.7 27 70 A V E -c 70 0C 0 -2,-0.6 64,-0.8 42,-0.2 2,-0.5 -0.903 5.3-170.0-105.9 126.3 -9.4 -26.0 50.8 28 71 A L E +cD 71 90C 14 42,-2.4 44,-3.1 -2,-0.5 2,-0.3 -0.964 16.3 161.6-114.0 128.2 -8.0 -24.1 53.8 29 72 A Y E - D 0 89C 4 60,-2.2 60,-2.6 -2,-0.5 44,-0.1 -0.963 41.5-111.2-142.9 158.0 -6.6 -26.2 56.7 30 73 A R >> - 0 0 57 42,-0.3 3,-2.3 -2,-0.3 4,-1.4 -0.821 24.5-142.8 -93.8 117.0 -4.2 -25.6 59.6 31 74 A P H 3> S+ 0 0 12 0, 0.0 4,-0.5 0, 0.0 3,-0.3 0.844 99.3 48.1 -50.0 -45.2 -0.9 -27.4 59.2 32 75 A E H 34 S+ 0 0 56 1,-0.2 4,-0.2 2,-0.2 -2,-0.0 0.622 108.1 58.5 -74.3 -9.1 -0.5 -28.4 62.8 33 76 A E H <4 S+ 0 0 26 -3,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.863 114.4 32.0 -88.2 -29.4 -4.0 -29.7 62.9 34 77 A V H >< S+ 0 0 7 -4,-1.4 3,-1.3 -3,-0.3 -21,-0.4 0.317 90.2 106.1-102.2 5.3 -3.7 -32.2 60.1 35 78 A R T 3< S+ 0 0 141 -4,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.778 85.8 28.8 -71.2 -31.5 -0.1 -33.2 60.7 36 79 A N T 3 S+ 0 0 134 -4,-0.2 2,-0.3 -3,-0.2 -1,-0.3 -0.098 106.4 98.0-117.1 31.4 -0.3 -36.7 62.3 37 80 A K < - 0 0 66 -3,-1.3 -25,-2.4 22,-0.0 -24,-0.3 -0.822 54.5-151.4-125.0 157.1 -3.5 -37.7 60.6 38 81 A R B -B 11 0B 161 -2,-0.3 -27,-0.2 -27,-0.3 2,-0.1 -0.963 17.8-121.1-131.4 148.8 -4.7 -39.7 57.6 39 82 A S - 0 0 6 -29,-2.0 2,-0.3 -2,-0.3 -29,-0.2 -0.463 24.1-123.3 -80.4 154.2 -7.7 -39.5 55.3 40 83 A S - 0 0 25 15,-2.2 17,-0.1 14,-0.2 -33,-0.1 -0.778 45.6 -83.2 -95.2 150.0 -10.1 -42.4 54.8 41 84 A A - 0 0 61 -2,-0.3 2,-0.4 1,-0.0 -1,-0.1 -0.204 40.1-169.6 -57.7 132.5 -10.6 -43.6 51.1 42 85 A I E +A 7 0A 3 -35,-2.2 -35,-2.0 13,-0.1 2,-0.4 -0.994 10.0 173.4-118.5 131.4 -13.1 -41.9 48.7 43 86 A K E +A 6 0A 167 -2,-0.4 -37,-0.2 -37,-0.2 2,-0.1 -0.981 35.5 3.9-138.6 127.8 -13.9 -43.5 45.3 44 87 A G E S-A 5 0A 25 -39,-2.6 -39,-2.9 -2,-0.4 2,-0.2 -0.476 94.4 -19.1 113.9-177.7 -16.5 -42.6 42.5 45 88 A K E S+A 4 0A 137 -41,-0.3 2,-0.3 -2,-0.1 -41,-0.3 -0.536 74.4 157.1 -63.0 131.8 -19.1 -40.0 41.4 46 89 A L E -A 3 0A 28 -43,-2.8 -43,-3.3 -2,-0.2 -2,-0.1 -0.970 50.1-105.0-160.1 143.8 -20.1 -38.0 44.6 47 90 A E >> - 0 0 85 -2,-0.3 4,-2.6 -45,-0.3 3,-0.5 -0.596 40.5-122.5 -68.9 131.0 -21.5 -34.8 45.7 48 91 A P H 3> S+ 0 0 21 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.784 110.3 51.2 -52.9 -31.1 -18.6 -32.7 47.0 49 92 A N H 3> S+ 0 0 81 2,-0.2 4,-1.6 3,-0.1 5,-0.2 0.919 112.7 43.4 -71.8 -41.7 -20.2 -32.3 50.5 50 93 A Q H <> S+ 0 0 113 -3,-0.5 4,-1.6 1,-0.2 3,-0.5 0.999 115.0 53.8 -60.3 -58.6 -20.9 -36.1 50.9 51 94 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.745 105.9 49.9 -41.0 -44.8 -17.4 -36.7 49.6 52 95 A I H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.947 109.5 48.3 -73.7 -41.4 -15.5 -34.5 52.0 53 96 A T H X S+ 0 0 85 -4,-1.6 4,-0.5 -3,-0.5 -1,-0.2 0.835 111.5 53.0 -69.3 -22.4 -17.1 -35.8 55.2 54 97 A E H >< S+ 0 0 90 -4,-1.6 3,-0.8 1,-0.2 -1,-0.2 0.924 108.9 48.7 -74.7 -42.6 -16.3 -39.3 53.9 55 98 A L H 3< S+ 0 0 0 -4,-2.3 -15,-2.2 1,-0.2 -2,-0.2 0.829 113.0 49.1 -60.3 -32.2 -12.7 -38.3 53.4 56 99 A L H ><>S+ 0 0 11 -4,-2.0 3,-2.4 -17,-0.2 5,-0.6 0.510 77.1 130.2 -93.1 -2.6 -12.6 -36.9 56.9 57 100 A R T <<5S+ 0 0 189 -3,-0.8 -17,-0.1 -4,-0.5 -3,-0.1 -0.238 79.4 13.0 -52.9 131.5 -14.1 -39.8 58.7 58 101 A G T 3 5S+ 0 0 85 3,-0.1 -1,-0.3 -19,-0.1 -20,-0.1 0.289 104.2 93.2 86.4 -9.9 -11.9 -40.8 61.7 59 102 A T T < 5S- 0 0 6 -3,-2.4 -2,-0.1 2,-0.1 -1,-0.1 0.467 89.6-123.6 -93.1 -6.8 -9.8 -37.6 61.6 60 103 A G T 5 + 0 0 54 -4,-0.3 15,-0.4 1,-0.2 2,-0.1 0.633 62.9 143.5 70.0 12.0 -11.8 -35.5 64.1 61 104 A A < - 0 0 22 -5,-0.6 2,-0.3 13,-0.2 13,-0.2 -0.493 37.4-156.3 -89.3 156.7 -12.3 -32.7 61.5 62 105 A S E -E 73 0C 65 11,-3.1 11,-1.7 -2,-0.1 2,-0.5 -0.878 13.1-135.7-119.8 159.3 -15.2 -30.4 60.8 63 106 A V E -E 72 0C 34 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.965 6.5-160.0-121.5 129.2 -16.0 -28.5 57.6 64 107 A D E -E 71 0C 59 7,-2.3 7,-2.4 -2,-0.5 2,-0.6 -0.917 19.5-146.5-101.3 98.9 -17.1 -25.0 57.1 65 108 A F E +E 70 0C 108 -2,-0.7 5,-0.2 5,-0.2 2,-0.1 -0.585 26.0 170.0 -62.8 110.7 -18.8 -24.8 53.6 66 109 A Q E > -E 69 0C 56 3,-2.8 3,-2.0 -2,-0.6 2,-0.3 -0.525 49.2 -93.8-129.2 70.0 -18.0 -21.3 52.3 67 110 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.2 -2,-0.1 34,-0.1 -0.453 110.2 3.0 70.0-121.5 -19.0 -21.0 48.7 68 111 A N T 3 S+ 0 0 38 -2,-0.3 -42,-2.9 29,-0.2 2,-0.3 0.477 133.1 62.4 -77.8 1.8 -16.1 -21.8 46.4 69 112 A A E < -cE 26 66C 5 -3,-2.0 -3,-2.8 -44,-0.2 2,-0.4 -0.916 60.6-162.5-121.5 153.7 -14.0 -22.6 49.6 70 113 A I E -cE 27 65C 4 -44,-3.0 -42,-2.4 -2,-0.3 2,-0.5 -0.993 11.3-152.9-117.1 137.3 -14.1 -25.1 52.5 71 114 A T E -cE 28 64C 23 -7,-2.4 -7,-2.3 -2,-0.4 2,-0.3 -0.946 6.5-151.9-112.6 135.0 -12.3 -24.6 55.7 72 115 A I E + E 0 63C 0 -44,-3.1 -42,-0.3 -2,-0.5 2,-0.3 -0.720 19.3 170.9 -94.8 138.9 -11.2 -27.6 57.8 73 116 A S E - E 0 62C 51 -11,-1.7 -11,-3.1 -2,-0.3 2,-0.5 -0.972 25.9-146.8-143.0 154.7 -10.8 -27.3 61.6 74 117 A V - 0 0 10 -2,-0.3 -13,-0.2 -13,-0.2 2,-0.1 -0.919 23.2-152.8-125.1 101.8 -10.2 -29.8 64.4 75 118 A A - 0 0 67 -2,-0.5 2,-0.3 -15,-0.4 -2,-0.0 -0.391 5.0-153.8 -74.6 149.0 -11.9 -28.7 67.6 76 119 A E - 0 0 121 -2,-0.1 -1,-0.0 1,-0.1 -2,-0.0 -0.796 27.4-121.9-113.2 161.9 -10.7 -29.6 71.1 77 120 A A S S+ 0 0 114 -2,-0.3 -1,-0.1 1,-0.0 -2,-0.0 0.785 108.6 57.3 -67.7 -28.9 -12.6 -30.0 74.4 78 121 A A + 0 0 87 -3,-0.0 -3,-0.0 2,-0.0 -1,-0.0 0.956 61.8 155.1 -68.1 -98.6 -10.1 -27.3 75.6 79 122 A D - 0 0 112 2,-0.1 3,-0.1 1,-0.1 -4,-0.0 0.969 17.3-174.3 63.2 95.0 -10.0 -24.0 73.6 80 123 A S S S- 0 0 121 1,-0.4 2,-0.2 0, 0.0 -1,-0.1 0.625 72.4 -24.2 -96.1 -16.5 -8.7 -21.0 75.7 81 124 A S S S- 0 0 67 417,-0.0 -1,-0.4 2,-0.0 2,-0.2 -0.770 76.4 -95.7 173.4 153.4 -9.4 -18.4 73.0 82 125 A V - 0 0 80 -2,-0.2 2,-0.7 -3,-0.1 3,-0.1 -0.552 16.1-146.9 -89.9 147.2 -9.7 -18.5 69.2 83 126 A D > + 0 0 12 -2,-0.2 3,-2.1 1,-0.2 416,-0.1 -0.737 21.0 177.1-109.4 78.7 -6.9 -17.8 66.7 84 127 A L T 3 S+ 0 0 68 -2,-0.7 -1,-0.2 414,-0.3 415,-0.1 0.825 79.3 43.9 -57.5 -42.5 -8.9 -16.2 63.8 85 128 A G T 3 S+ 0 0 4 413,-0.4 -1,-0.3 -3,-0.1 3,-0.1 -0.038 81.5 155.3 -92.9 30.8 -5.8 -15.5 61.8 86 129 A A < - 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