==== 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 RECEPTOR 20-DEC-08 2W77 . 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) . 62578.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1115 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 744 48.4 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 . 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 . 5 0.3 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 . 129 8.4 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 . 71 4.6 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 4 2 1 2 2 0 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 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 . 18 9 3 0 6 3 6 4 6 4 0 6 4 5 4 1 2 0 0 4 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 7 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 0 188 0, 0.0 45,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.4 -23.7 -31.1 42.0 2 45 A E - 0 0 114 45,-0.1 45,-0.3 43,-0.1 2,-0.3 0.056 360.0-178.0 -48.9 129.0 -22.3 -34.7 41.2 3 46 A V E -A 46 0A 19 43,-3.1 43,-3.3 41,-0.1 2,-0.6 -0.843 31.0-108.7-130.1 155.8 -18.6 -35.2 40.6 4 47 A E E -A 45 0A 127 -2,-0.3 2,-0.3 41,-0.2 41,-0.2 -0.745 43.2-171.4 -90.6 115.0 -16.1 -38.0 39.6 5 48 A F E +A 44 0A 5 39,-1.1 39,-3.5 -2,-0.6 2,-0.1 -0.848 27.4 161.8-119.3 147.9 -13.8 -38.9 42.5 6 49 A D E +A 43 0A 85 -2,-0.3 37,-0.2 37,-0.2 35,-0.0 -0.521 20.1 145.7-155.2 79.4 -10.7 -41.1 43.2 7 50 A I E -A 42 0A 0 35,-1.7 35,-2.1 33,-0.1 3,-0.1 -0.940 27.4-162.2-123.4 110.5 -8.8 -40.3 46.4 8 51 A P - 0 0 61 0, 0.0 31,-0.1 0, 0.0 32,-0.1 -0.574 42.0 -68.7 -83.3 153.5 -7.2 -43.3 48.2 9 52 A P S S+ 0 0 85 0, 0.0 2,-0.2 0, 0.0 31,-0.1 -0.068 74.6 128.2 -47.7 130.3 -6.1 -43.2 51.9 10 53 A Q - 0 0 46 29,-0.1 29,-1.5 -3,-0.1 2,-0.1 -0.870 64.2 -33.9-159.9-172.1 -3.0 -41.0 52.6 11 54 A A B > -B 38 0B 57 -2,-0.2 4,-2.5 27,-0.2 5,-0.3 -0.426 60.5-119.7 -54.2 133.9 -1.8 -38.1 54.8 12 55 A L H > S+ 0 0 0 25,-1.9 4,-2.4 22,-0.5 5,-0.2 0.887 114.0 58.7 -45.6 -43.3 -4.8 -35.9 55.5 13 56 A G H > S+ 0 0 14 21,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.950 107.4 41.0 -48.9 -63.1 -2.8 -33.1 53.8 14 57 A S H > S+ 0 0 38 1,-0.2 4,-3.7 2,-0.2 5,-0.3 0.902 113.7 55.5 -53.1 -43.9 -2.4 -34.9 50.4 15 58 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.920 111.0 44.6 -57.4 -42.9 -6.0 -36.0 50.6 16 59 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.935 114.6 46.6 -71.4 -45.0 -7.1 -32.4 51.1 17 60 A Q H X S+ 0 0 13 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.936 114.7 48.0 -57.4 -46.9 -4.9 -31.1 48.4 18 61 A E H X S+ 0 0 19 -4,-3.7 4,-2.6 1,-0.2 -2,-0.2 0.859 111.0 53.6 -65.8 -35.5 -6.0 -33.9 46.0 19 62 A F H X S+ 0 0 2 -4,-2.4 4,-1.9 -5,-0.3 6,-0.2 0.917 104.9 50.5 -65.4 -47.5 -9.6 -33.1 47.0 20 63 A G H X>S+ 0 0 5 -4,-2.5 5,-1.7 1,-0.2 4,-0.8 0.911 114.0 48.5 -57.0 -40.9 -9.5 -29.4 46.1 21 64 A R H ><5S+ 0 0 43 -4,-1.7 3,-0.9 -5,-0.2 -2,-0.2 0.959 112.7 44.8 -61.9 -54.2 -8.1 -30.4 42.8 22 65 A Q H 3<5S+ 0 0 34 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.740 119.6 41.5 -67.1 -22.3 -10.6 -33.1 42.0 23 66 A A H 3<5S- 0 0 9 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.404 101.4-123.8-108.2 -2.9 -13.5 -31.0 43.0 24 67 A D T <<5S+ 0 0 49 -3,-0.9 2,-0.3 -4,-0.8 -3,-0.2 0.848 73.8 119.5 59.5 37.9 -12.6 -27.6 41.6 25 68 A I < - 0 0 36 -5,-1.7 2,-0.5 -6,-0.2 -1,-0.2 -0.963 67.9-115.7-132.9 141.5 -12.9 -26.1 45.1 26 69 A Q E -c 69 0C 6 42,-2.7 44,-2.7 -2,-0.3 2,-0.5 -0.715 28.2-157.9 -82.7 131.8 -10.4 -24.4 47.3 27 70 A V E -c 70 0C 0 -2,-0.5 64,-0.9 42,-0.2 2,-0.4 -0.939 6.5-168.9-113.2 122.0 -9.6 -26.2 50.5 28 71 A L E +cD 71 90C 14 42,-2.6 44,-3.1 -2,-0.5 2,-0.3 -0.883 18.8 154.1-108.5 143.7 -8.2 -24.4 53.5 29 72 A Y E - D 0 89C 5 60,-1.4 60,-3.3 -2,-0.4 44,-0.1 -0.982 43.9-103.1-170.3 152.2 -6.9 -26.3 56.5 30 73 A R >> - 0 0 54 42,-0.5 4,-1.7 -2,-0.3 3,-1.5 -0.781 22.3-145.8 -95.6 116.9 -4.4 -26.0 59.4 31 74 A P H 3> S+ 0 0 16 0, 0.0 4,-1.2 0, 0.0 3,-0.3 0.887 99.0 47.2 -45.4 -52.8 -1.1 -27.9 58.9 32 75 A E H 34 S+ 0 0 58 1,-0.2 -2,-0.0 2,-0.2 391,-0.0 0.700 109.7 56.5 -70.2 -15.3 -0.7 -28.8 62.6 33 76 A E H <4 S+ 0 0 31 -3,-1.5 -1,-0.2 1,-0.2 40,-0.1 0.896 112.3 37.3 -83.2 -40.9 -4.3 -29.9 62.8 34 77 A V H >< S+ 0 0 9 -4,-1.7 3,-1.7 -3,-0.3 -22,-0.5 0.482 86.2 123.2 -85.3 -9.9 -4.1 -32.5 60.0 35 78 A R T 3< S+ 0 0 123 -4,-1.2 3,-0.1 1,-0.3 -5,-0.0 -0.314 83.3 7.5 -53.8 132.7 -0.6 -33.8 60.8 36 79 A N T 3 S+ 0 0 144 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.758 101.9 123.9 65.1 26.2 -0.6 -37.5 61.4 37 80 A K < - 0 0 76 -3,-1.7 -25,-1.9 0, 0.0 2,-0.3 -0.770 49.4-141.1-113.7 166.8 -4.2 -37.9 60.4 38 81 A R B -B 11 0B 182 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.2 -0.939 5.3-135.6-131.8 142.3 -5.5 -40.3 57.7 39 82 A S - 0 0 7 -29,-1.5 2,-0.3 -2,-0.3 17,-0.2 -0.691 21.3-121.7 -96.5 152.0 -8.2 -40.0 55.1 40 83 A S - 0 0 20 15,-2.2 -33,-0.1 14,-0.3 17,-0.1 -0.704 39.4 -93.2 -88.2 150.1 -10.8 -42.7 54.2 41 84 A A - 0 0 61 -2,-0.3 2,-0.3 -32,-0.1 -1,-0.1 -0.247 40.0-169.1 -56.8 139.5 -10.9 -44.0 50.7 42 85 A I E -A 7 0A 3 -35,-2.1 -35,-1.7 -3,-0.1 2,-0.4 -0.993 5.7-179.4-130.7 138.6 -13.4 -42.4 48.3 43 86 A K E -A 6 0A 147 -2,-0.3 -37,-0.2 -37,-0.2 2,-0.1 -0.922 34.3 -14.0-145.1 110.4 -14.4 -43.8 44.9 44 87 A G E S-A 5 0A 18 -39,-3.5 -39,-1.1 -2,-0.4 2,-0.4 -0.453 90.6 -3.6 115.5-172.9 -16.7 -42.6 42.2 45 88 A K E S+A 4 0A 142 -41,-0.2 2,-0.3 -2,-0.1 -41,-0.2 -0.483 74.4 142.8 -62.6 112.2 -19.5 -40.2 41.0 46 89 A L E -A 3 0A 35 -43,-3.3 -43,-3.1 -2,-0.4 -2,-0.1 -0.985 56.0 -98.0-149.4 154.0 -20.6 -38.3 44.2 47 90 A E >> - 0 0 79 -2,-0.3 4,-2.6 -45,-0.3 3,-0.9 -0.520 42.9-115.1 -69.8 145.0 -21.7 -34.9 45.2 48 91 A P H 3> S+ 0 0 23 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.703 111.9 49.5 -68.0 -17.8 -18.8 -32.8 46.6 49 92 A N H 3> S+ 0 0 76 2,-0.2 4,-1.3 3,-0.1 5,-0.1 0.762 110.2 47.1 -91.7 -25.3 -20.3 -32.6 50.2 50 93 A Q H <> S+ 0 0 116 -3,-0.9 4,-2.0 2,-0.2 5,-0.2 0.959 112.9 54.7 -66.7 -50.7 -21.0 -36.3 50.6 51 94 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.819 108.0 46.5 -44.9 -45.2 -17.5 -36.9 49.2 52 95 A I H X S+ 0 0 0 -4,-1.2 4,-1.9 -5,-0.2 -1,-0.2 0.921 110.1 50.7 -76.7 -39.2 -15.8 -34.7 51.8 53 96 A T H < S+ 0 0 84 -4,-1.3 4,-0.4 2,-0.2 -1,-0.2 0.851 112.6 48.7 -66.7 -29.6 -17.6 -36.0 54.8 54 97 A E H >< S+ 0 0 85 -4,-2.0 3,-1.4 1,-0.2 -14,-0.3 0.955 109.5 52.8 -64.6 -53.7 -16.7 -39.6 53.7 55 98 A L H 3< S+ 0 0 0 -4,-2.4 -15,-2.2 1,-0.2 -2,-0.2 0.819 111.7 46.3 -46.0 -41.0 -13.0 -38.5 53.2 56 99 A L T ><>S+ 0 0 9 -4,-1.9 3,-1.8 -17,-0.2 5,-0.6 0.428 76.3 124.9 -94.9 -0.3 -12.8 -37.1 56.7 57 100 A R T < 5S+ 0 0 187 -3,-1.4 -17,-0.2 -4,-0.4 -3,-0.0 -0.356 81.3 22.2 -53.8 133.6 -14.4 -40.1 58.6 58 101 A G T 3 5S+ 0 0 76 -19,-0.1 -1,-0.3 3,-0.1 -2,-0.1 -0.071 104.3 86.7 97.7 -32.9 -11.9 -41.0 61.2 59 102 A T T < 5S- 0 0 3 -3,-1.8 -2,-0.1 2,-0.1 3,-0.1 0.558 89.0-128.5 -84.4 -11.2 -10.1 -37.7 61.3 60 103 A G T 5 + 0 0 58 -4,-0.4 15,-0.2 1,-0.2 2,-0.2 0.756 61.5 139.7 65.0 29.0 -12.2 -35.9 63.8 61 104 A A < - 0 0 21 -5,-0.6 2,-0.3 13,-0.2 13,-0.2 -0.643 41.6-149.5-110.3 161.2 -12.7 -32.9 61.5 62 105 A S E -E 73 0C 65 11,-3.1 11,-2.1 -2,-0.2 2,-0.4 -0.871 12.2-136.2-123.7 157.2 -15.5 -30.6 60.5 63 106 A V E -E 72 0C 33 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.948 5.2-159.2-118.3 134.8 -16.2 -28.8 57.2 64 107 A D E -E 71 0C 57 7,-2.5 7,-1.9 -2,-0.4 2,-0.5 -0.944 17.8-145.9-107.5 106.4 -17.3 -25.2 56.8 65 108 A F E +E 70 0C 105 -2,-0.6 5,-0.2 5,-0.2 3,-0.1 -0.603 26.5 167.9 -72.4 120.3 -19.0 -24.8 53.4 66 109 A Q E > -E 69 0C 50 3,-2.7 3,-1.2 -2,-0.5 2,-0.5 -0.477 52.4 -89.9-137.6 68.4 -18.2 -21.4 52.1 67 110 A G T 3 S+ 0 0 62 1,-0.3 -1,-0.2 -42,-0.0 31,-0.1 -0.531 111.3 1.1 76.7-114.5 -19.1 -21.0 48.4 68 111 A N T 3 S+ 0 0 34 -2,-0.5 -42,-2.7 29,-0.2 2,-0.4 0.307 131.1 62.3 -90.9 14.0 -16.2 -22.0 46.3 69 112 A A E < -cE 26 66C 6 -3,-1.2 -3,-2.7 -44,-0.2 2,-0.4 -0.967 59.6-161.1-135.3 145.3 -14.1 -22.8 49.4 70 113 A I E -cE 27 65C 3 -44,-2.7 -42,-2.6 -2,-0.4 2,-0.5 -0.996 10.7-154.7-117.9 126.5 -14.3 -25.2 52.2 71 114 A T E -cE 28 64C 28 -7,-1.9 -7,-2.5 -2,-0.4 2,-0.4 -0.879 10.7-150.7 -96.3 140.7 -12.4 -24.6 55.4 72 115 A I E + E 0 63C 2 -44,-3.1 -42,-0.5 -2,-0.5 2,-0.3 -0.871 18.9 175.3-105.1 132.7 -11.5 -27.7 57.4 73 116 A S E - E 0 62C 50 -11,-2.1 -11,-3.1 -2,-0.4 2,-0.4 -0.944 25.9-146.1-134.5 161.1 -11.1 -27.6 61.2 74 117 A V - 0 0 9 -2,-0.3 -13,-0.2 -13,-0.2 -14,-0.0 -0.861 22.5-154.8-127.7 91.9 -10.5 -30.0 64.1 75 118 A A - 0 0 70 -2,-0.4 2,-0.3 -15,-0.2 -2,-0.0 -0.307 6.1-158.9 -60.4 145.5 -12.3 -28.9 67.3 76 119 A E - 0 0 116 1,-0.1 -1,-0.0 -2,-0.0 -2,-0.0 -0.796 29.3-123.5-114.0 162.8 -11.0 -30.0 70.8 77 120 A A S S+ 0 0 115 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.744 109.5 56.7 -74.3 -28.9 -12.9 -30.1 74.1 78 121 A A + 0 0 87 2,-0.0 -3,-0.0 -3,-0.0 0, 0.0 0.955 62.1 149.2 -62.5 -95.6 -10.1 -27.8 75.3 79 122 A D - 0 0 104 1,-0.1 3,-0.1 2,-0.0 -4,-0.0 0.944 29.0-161.0 49.8 102.5 -9.7 -24.5 73.2 80 123 A S S S- 0 0 119 1,-0.4 2,-0.2 0, 0.0 -1,-0.1 0.299 70.6 -40.4 -93.6 10.6 -8.4 -21.6 75.4 81 124 A S S S- 0 0 72 417,-0.0 2,-0.4 2,-0.0 -1,-0.4 -0.689 80.8 -78.1 132.3 169.5 -9.7 -18.9 72.9 82 125 A V - 0 0 82 -2,-0.2 2,-1.1 -3,-0.1 3,-0.1 -0.834 16.9-146.5-117.8 137.8 -9.6 -18.8 69.1 83 126 A D > + 0 0 13 -2,-0.4 3,-1.4 1,-0.2 416,-0.1 -0.790 22.2 176.2 -98.5 89.0 -6.8 -18.1 66.6 84 127 A L T 3 S+ 0 0 67 -2,-1.1 -1,-0.2 414,-0.7 415,-0.1 0.869 79.6 48.1 -67.7 -37.2 -8.8 -16.4 63.9 85 128 A G T 3 S+ 0 0 2 413,-0.4 -1,-0.3 -3,-0.1 3,-0.1 -0.070 82.6 159.5 -90.8 34.3 -5.8 -15.7 61.8 86 129 A A < - 0 0 6 -3,-1.4 2,-0.1 1,-0.1 343,-0.1 -0.300 54.4 -94.3 -58.8 137.9 -4.3 -19.2 62.1 87 130 A T - 0 0 2 341,-0.5 2,-0.4 406,-0.1 -1,-0.1 -0.354 52.2-170.8 -50.2 119.6 -1.8 -20.2 59.5 88 131 A M - 0 0 34 28,-0.2 2,-0.4 -58,-0.2 -58,-0.2 -0.966 16.7-144.8-124.4 136.7 -3.8 -22.0 56.9 89 132 A I E -D 29 0C 11 -60,-3.3 -60,-1.4 -2,-0.4 2,-0.2 -0.865 21.3-154.3-104.5 145.6 -2.5 -24.0 53.9 90 133 A T E -D 28 0C 6 -2,-0.4 -62,-0.2 -62,-0.2 3,-0.1 -0.701 22.1-143.4-121.1 157.3 -4.5 -23.8 50.8 91 134 A S S S+ 0 0 16 -64,-0.9 2,-0.5 -2,-0.2 -63,-0.1 0.673 91.3 56.7 -98.0 -17.7 -5.0 -26.0 47.7 92 135 A N > - 0 0 29 -65,-0.2 3,-2.5 1,-0.1 -1,-0.2 -0.907 67.4-160.0-115.6 107.9 -5.3 -23.2 45.1 93 136 A Q T 3 S+ 0 0 12 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.690 91.8 51.6 -60.4 -22.1 -2.2 -20.9 45.0 94 137 A L T 3 S- 0 0 33 1,-0.3 16,-0.6 15,-0.1 -1,-0.3 0.535 114.2-116.0 -92.2 -3.1 -4.0 -18.1 43.3 95 138 A G B < -F 109 0D 0 -3,-2.5 -1,-0.3 14,-0.2 2,-0.3 -0.387 55.3 -18.4 100.0-177.1 -6.9 -18.1 45.9 96 139 A T - 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