==== 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 2W78 . 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, . 1533 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61634.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1115 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 739 48.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.5 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 . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 130 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 4.8 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 4 0 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 0 2 2 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 4 0 7 2 6 4 6 4 1 5 5 6 2 1 2 0 0 4 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 7 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 0 194 0, 0.0 45,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-175.6 -23.0 -31.4 40.8 2 45 A E - 0 0 112 45,-0.2 2,-0.3 43,-0.1 45,-0.3 -0.152 360.0-171.1 -66.3 151.1 -21.3 -34.8 40.4 3 46 A V E -A 46 0A 17 43,-3.3 43,-3.1 41,-0.1 2,-1.1 -0.988 28.7-110.3-147.0 146.6 -17.5 -35.3 39.7 4 47 A E E -A 45 0A 124 -2,-0.3 2,-0.3 41,-0.2 41,-0.2 -0.659 42.6-175.5 -84.1 98.9 -15.1 -38.2 38.8 5 48 A F E +A 44 0A 2 39,-2.4 39,-3.2 -2,-1.1 2,-0.1 -0.682 22.8 168.2 -98.3 150.6 -12.8 -38.8 41.8 6 49 A D E +A 43 0A 84 -2,-0.3 37,-0.2 37,-0.2 -2,-0.0 -0.559 15.3 156.9-151.7 80.6 -9.9 -41.1 42.3 7 50 A I E -A 42 0A 1 35,-2.4 35,-2.1 -2,-0.1 3,-0.1 -0.863 26.8-153.3-115.6 98.6 -7.9 -40.4 45.5 8 51 A P - 0 0 60 0, 0.0 31,-0.1 0, 0.0 -2,-0.1 -0.283 39.6 -86.5 -51.2 144.8 -5.9 -43.3 46.9 9 52 A P S S+ 0 0 60 0, 0.0 2,-0.3 0, 0.0 31,-0.1 -0.330 72.6 129.9 -56.7 140.2 -5.2 -43.2 50.6 10 53 A Q - 0 0 27 29,-0.1 29,-1.8 -3,-0.1 2,-0.1 -0.911 60.8 -25.3-169.3-171.5 -2.1 -41.1 51.5 11 54 A A B > -B 38 0B 53 -2,-0.3 4,-1.7 27,-0.2 27,-0.3 -0.367 61.9-123.1 -55.2 126.6 -0.7 -38.2 53.7 12 55 A L H > S+ 0 0 0 25,-2.7 4,-2.2 1,-0.2 3,-0.4 0.864 111.8 56.5 -44.2 -43.8 -3.7 -36.1 54.6 13 56 A G H >> S+ 0 0 12 21,-0.7 4,-2.6 24,-0.3 3,-0.6 0.978 106.1 48.5 -47.7 -69.6 -1.9 -33.1 53.0 14 57 A S H 3> S+ 0 0 34 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.768 111.6 49.6 -36.7 -39.6 -1.5 -34.8 49.7 15 58 A A H 3X S+ 0 0 0 -4,-1.7 4,-3.5 -3,-0.4 -1,-0.2 0.893 109.1 50.4 -78.9 -35.1 -5.1 -35.8 49.5 16 59 A L H S+ 0 0 4 -4,-3.2 5,-1.9 2,-0.2 4,-0.9 0.918 113.4 46.6 -42.9 -52.5 -8.6 -29.4 45.5 21 64 A R H ><5S+ 0 0 39 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.970 114.2 44.3 -55.9 -63.4 -7.2 -30.3 42.1 22 65 A Q H 3<5S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.652 118.8 43.4 -58.3 -23.1 -9.8 -32.9 41.2 23 66 A A H 3<5S- 0 0 9 -4,-2.3 -1,-0.2 -3,-0.2 -2,-0.2 0.512 100.5-125.7-100.5 -8.3 -12.8 -30.8 42.4 24 67 A D T <<5S+ 0 0 43 -3,-1.2 2,-0.3 -4,-0.9 -3,-0.2 0.983 71.9 122.6 51.5 60.4 -11.8 -27.4 41.0 25 68 A I < - 0 0 35 -5,-1.9 2,-0.6 -6,-0.1 -1,-0.2 -0.998 68.8-110.8-145.3 145.3 -12.2 -26.1 44.6 26 69 A Q E -c 69 0C 3 42,-3.7 44,-4.6 -2,-0.3 2,-0.6 -0.726 29.5-165.1 -83.4 131.8 -9.9 -24.3 46.9 27 70 A V E -c 70 0C 0 -2,-0.6 64,-2.0 42,-0.2 2,-0.4 -0.969 5.0-172.9-115.0 117.7 -8.9 -26.4 49.8 28 71 A L E +cD 71 90C 16 42,-2.5 44,-3.6 -2,-0.6 2,-0.3 -0.936 13.9 159.7-109.4 142.1 -7.4 -24.6 52.7 29 72 A Y E -cD 72 89C 5 60,-2.3 60,-2.8 -2,-0.4 44,-0.1 -0.980 41.4-104.3-154.6 159.0 -5.9 -26.4 55.7 30 73 A R >> - 0 0 55 42,-0.5 4,-1.5 -2,-0.3 3,-1.5 -0.791 23.2-145.0 -91.6 115.0 -3.5 -26.1 58.7 31 74 A P G >4 S+ 0 0 12 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.867 99.6 48.0 -40.6 -57.0 -0.1 -27.8 58.2 32 75 A E G >4 S+ 0 0 54 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.769 109.4 55.6 -61.7 -26.1 0.3 -28.8 61.8 33 76 A E G <4 S+ 0 0 32 -3,-1.5 -1,-0.2 1,-0.2 3,-0.1 0.790 113.6 36.7 -80.3 -27.7 -3.3 -30.2 61.9 34 77 A V G X< S+ 0 0 8 -4,-1.5 -21,-0.7 -3,-0.7 3,-0.6 0.001 89.9 103.0-107.6 30.3 -3.0 -32.6 59.0 35 78 A R T < S+ 0 0 140 -3,-0.7 -1,-0.1 1,-0.3 -2,-0.1 0.901 84.2 31.1 -92.6 -39.3 0.6 -33.8 59.6 36 79 A N T 3 S+ 0 0 137 -4,-0.3 2,-0.3 -3,-0.1 -1,-0.3 -0.334 107.1 91.5-113.3 47.8 0.5 -37.2 61.1 37 80 A K < - 0 0 70 -3,-0.6 -25,-2.7 -2,-0.0 2,-0.3 -0.934 52.7-158.8-136.4 161.0 -2.8 -38.2 59.4 38 81 A R B -B 11 0B 161 -2,-0.3 -27,-0.2 -27,-0.3 2,-0.1 -0.951 19.9-116.5-137.4 160.9 -3.9 -40.0 56.2 39 82 A S - 0 0 10 -29,-1.8 2,-0.3 -2,-0.3 17,-0.2 -0.440 22.2-113.3 -90.5 161.1 -7.1 -40.0 54.2 40 83 A S - 0 0 25 15,-1.8 2,-0.1 14,-0.3 17,-0.1 -0.760 47.4 -93.8 -88.7 149.2 -9.6 -42.8 53.3 41 84 A A - 0 0 55 -2,-0.3 2,-0.4 -32,-0.1 -1,-0.1 -0.366 37.3-166.3 -66.1 131.6 -9.8 -43.8 49.6 42 85 A I E +A 7 0A 1 -35,-2.1 -35,-2.4 -2,-0.1 2,-0.3 -0.970 13.2 170.6-115.6 140.8 -12.4 -42.1 47.5 43 86 A K E +A 6 0A 148 -2,-0.4 -37,-0.2 -37,-0.2 2,-0.1 -0.976 33.2 15.5-153.0 128.4 -13.1 -43.6 44.1 44 87 A G E S-A 5 0A 20 -39,-3.2 -39,-2.4 -2,-0.3 2,-0.5 -0.383 93.2 -25.6 108.2 179.5 -15.8 -42.9 41.4 45 88 A K E S+A 4 0A 132 -41,-0.2 2,-0.3 -2,-0.1 -41,-0.2 -0.586 75.9 141.6 -73.5 114.6 -18.4 -40.4 40.3 46 89 A L E -A 3 0A 33 -43,-3.1 -43,-3.3 -2,-0.5 -2,-0.1 -0.946 53.6 -97.8-146.1 169.2 -19.6 -38.4 43.4 47 90 A E >> - 0 0 80 -2,-0.3 4,-3.1 -45,-0.3 3,-0.7 -0.744 40.5-117.6 -88.5 139.8 -20.7 -35.0 44.7 48 91 A P H 3> S+ 0 0 23 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.783 111.2 52.1 -50.6 -39.1 -17.9 -33.0 46.4 49 92 A N H 3> S+ 0 0 81 2,-0.2 4,-1.7 3,-0.2 5,-0.2 0.890 115.1 42.6 -68.9 -38.6 -19.6 -32.8 49.9 50 93 A Q H <> S+ 0 0 117 -3,-0.7 4,-2.3 2,-0.2 5,-0.3 0.992 116.1 51.6 -60.5 -60.8 -20.1 -36.6 49.9 51 94 A A H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.781 112.1 43.2 -46.6 -42.3 -16.5 -37.0 48.5 52 95 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.929 111.2 50.7 -78.5 -42.5 -14.8 -34.8 51.0 53 96 A T H X S+ 0 0 84 -4,-1.7 4,-1.0 -5,-0.3 3,-0.2 0.944 113.2 49.6 -64.3 -37.6 -16.5 -36.1 54.2 54 97 A E H < S+ 0 0 88 -4,-2.3 -14,-0.3 1,-0.2 -1,-0.2 0.866 109.1 52.0 -57.1 -43.3 -15.7 -39.6 52.9 55 98 A L H < S+ 0 0 0 -4,-1.7 -15,-1.8 -5,-0.3 -1,-0.2 0.830 112.5 45.0 -64.0 -32.2 -12.0 -38.6 52.4 56 99 A L H >< S+ 0 0 7 -4,-2.1 3,-3.5 -3,-0.2 5,-0.5 0.599 79.8 137.1 -94.0 -10.3 -11.7 -37.3 55.9 57 100 A R T 3< S+ 0 0 183 -4,-1.0 -17,-0.1 1,-0.3 -3,-0.1 -0.057 79.8 8.6 -29.4 117.9 -13.5 -40.3 57.4 58 101 A G T 3 S+ 0 0 87 3,-0.1 -1,-0.3 1,-0.1 -20,-0.1 0.323 102.5 99.9 83.0 -6.4 -11.4 -41.1 60.5 59 102 A T S < S- 0 0 8 -3,-3.5 -2,-0.1 2,-0.1 3,-0.1 0.570 87.3-123.9 -87.1 -8.4 -9.2 -38.0 60.5 60 103 A G + 0 0 57 -4,-0.3 2,-0.3 1,-0.2 15,-0.2 0.708 65.5 137.0 69.6 25.0 -11.1 -36.0 63.1 61 104 A A - 0 0 21 -5,-0.5 2,-0.3 13,-0.2 13,-0.3 -0.765 42.1-152.4-108.5 145.6 -11.6 -33.2 60.7 62 105 A S E -E 73 0C 68 11,-3.4 11,-2.5 -2,-0.3 2,-0.4 -0.818 13.7-135.5-110.4 159.9 -14.6 -30.9 59.8 63 106 A V E -E 72 0C 32 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.876 8.1-161.2-114.9 141.0 -15.3 -29.2 56.6 64 107 A D E -E 71 0C 59 7,-1.0 7,-1.8 -2,-0.4 2,-0.3 -0.904 16.9-145.1-117.6 98.4 -16.5 -25.6 56.2 65 108 A F E +E 70 0C 108 -2,-0.5 5,-0.2 5,-0.2 2,-0.1 -0.456 25.6 169.5 -68.3 124.0 -18.1 -25.0 52.7 66 109 A Q E > -E 69 0C 55 3,-3.0 3,-1.1 -2,-0.3 2,-0.4 -0.493 52.3 -84.2-136.2 77.5 -17.3 -21.6 51.5 67 110 A G T 3 S- 0 0 62 1,-0.3 -1,-0.2 -2,-0.1 31,-0.1 -0.562 112.4 -7.8 76.5-122.7 -18.2 -20.9 47.8 68 111 A N T 3 S+ 0 0 33 -2,-0.4 -42,-3.7 29,-0.2 2,-0.4 0.155 131.3 73.5 -92.8 22.9 -15.3 -22.1 45.7 69 112 A A E < -cE 26 66C 7 -3,-1.1 -3,-3.0 -44,-0.2 2,-0.4 -0.967 58.4-165.7-131.2 145.0 -13.3 -22.7 48.8 70 113 A I E -cE 27 65C 3 -44,-4.6 -42,-2.5 -2,-0.4 2,-0.6 -0.994 11.9-154.4-126.8 126.7 -13.5 -25.4 51.4 71 114 A T E -cE 28 64C 22 -7,-1.8 -7,-1.0 -2,-0.4 2,-0.4 -0.896 8.8-148.7-108.9 123.9 -11.6 -24.8 54.6 72 115 A I E +cE 29 63C 1 -44,-3.6 -42,-0.5 -2,-0.6 2,-0.3 -0.730 19.5 177.0 -93.9 127.2 -10.6 -27.9 56.6 73 116 A S E - E 0 62C 53 -11,-2.5 -11,-3.4 -2,-0.4 2,-0.5 -0.937 24.0-154.2-129.1 154.1 -10.3 -27.8 60.4 74 117 A V - 0 0 7 -2,-0.3 -13,-0.2 -13,-0.3 -2,-0.0 -0.813 24.9-154.0-129.5 90.1 -9.5 -30.3 63.2 75 118 A A - 0 0 65 -2,-0.5 2,-0.3 -15,-0.2 3,-0.0 -0.256 2.8-151.7 -64.2 145.4 -11.1 -29.2 66.4 76 119 A E - 0 0 113 1,-0.1 -1,-0.0 -2,-0.0 -2,-0.0 -0.849 22.7-129.2-110.7 152.0 -9.8 -30.1 69.9 77 120 A A S S+ 0 0 114 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.825 106.8 60.6 -64.6 -35.6 -11.9 -30.4 73.1 78 121 A A + 0 0 92 -3,-0.0 -1,-0.1 2,-0.0 -3,-0.0 0.975 67.0 152.0 -56.5 -73.4 -9.3 -28.1 74.6 79 122 A D - 0 0 115 1,-0.1 3,-0.1 2,-0.0 -4,-0.0 0.892 21.3-172.4 29.0 117.5 -9.2 -24.6 72.6 80 123 A S - 0 0 115 1,-0.6 2,-0.2 0, 0.0 -1,-0.1 0.163 69.0 -29.1-119.8 21.2 -8.1 -21.5 74.5 81 124 A S S S- 0 0 77 417,-0.0 -1,-0.6 2,-0.0 2,-0.3 -0.475 79.7 -89.1 128.0 152.7 -8.9 -18.7 72.0 82 125 A V - 0 0 80 -2,-0.2 2,-1.2 -3,-0.1 3,-0.1 -0.687 17.2-142.9-101.7 138.3 -8.9 -18.9 68.2 83 126 A D > - 0 0 14 -2,-0.3 3,-1.6 1,-0.2 416,-0.1 -0.694 24.7-179.5 -95.3 81.9 -6.0 -18.3 65.9 84 127 A L T 3 S+ 0 0 66 -2,-1.2 -1,-0.2 414,-0.4 415,-0.1 0.791 78.5 40.2 -57.4 -35.9 -7.9 -16.5 63.1 85 128 A G T 3 S+ 0 0 2 413,-0.4 -1,-0.3 -3,-0.1 3,-0.1 -0.198 82.8 159.9-101.3 41.5 -5.0 -16.0 60.9 86 129 A A < - 0 0 4 -3,-1.6 2,-0.1 1,-0.2 343,-0.1 -0.352 57.2 -86.9 -66.8 146.0 -3.3 -19.3 61.5 87 130 A T - 0 0 2 341,-0.6 2,-0.5 1,-0.1 -1,-0.2 -0.298 54.7-167.6 -52.2 116.5 -0.8 -20.4 58.8 88 131 A M - 0 0 37 28,-0.2 -58,-0.2 -58,-0.2 2,-0.2 -0.941 14.4-145.8-121.6 125.3 -2.9 -22.1 56.2 89 132 A I E -D 29 0C 12 -60,-2.8 -60,-2.3 -2,-0.5 2,-0.3 -0.586 23.7-151.6 -85.5 154.4 -1.6 -24.2 53.3 90 133 A T E -D 28 0C 6 -2,-0.2 -62,-0.2 -62,-0.2 3,-0.1 -0.921 23.0-144.6-137.4 148.6 -3.6 -23.9 50.2 91 134 A S S S+ 0 0 12 -64,-2.0 2,-0.5 -2,-0.3 -63,-0.1 0.764 91.1 47.9 -90.4 -22.3 -4.5 -26.0 47.1 92 135 A N > - 0 0 28 -65,-0.2 3,-1.6 1,-0.1 -1,-0.2 -0.919 67.5-158.5-117.5 107.3 -4.6 -23.3 44.4 93 136 A Q T 3 S+ 0 0 8 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.658 89.7 55.7 -60.8 -20.5 -1.6 -20.9 44.4 94 137 A L T 3 S- 0 0 28 1,-0.3 16,-0.7 22,-0.1 -1,-0.3 0.726 114.3-112.6 -83.0 -18.2 -3.4 -18.1 42.5 95 138 A G B < -F 109 0D 0 -3,-1.6 2,-0.4 14,-0.2 -1,-0.3 -0.779 55.0 -22.9 122.2-170.9 -6.2 -18.0 45.1 96 139 A T - 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0 0 6 10,-0.2 -12,-1.1 11,-0.1 -1,-0.5 -0.875 65.4-158.7-119.9 163.5 -8.3 -15.7 48.9 109 152 A I B -FG 95 117D 3 8,-3.9 8,-2.8 -2,-0.3 -14,-0.2 -0.971 21.6-170.7-145.6 137.7 -5.7 -13.7 47.1 110 153 A A > + 0 0 11 -16,-0.7 4,-1.3 -2,-0.3 -15,-0.1 0.217 62.1 103.7-115.3 13.8 -1.9 -14.1 46.4 111 154 A T T 4 S+ 0 0 6 1,-0.2 -1,-0.1 2,-0.2 102,-0.1 0.888 74.8 49.5 -68.2 -42.9 -1.3 -10.7 45.0 112 155 A A T 4 S- 0 0 5 3,-0.2 -1,-0.2 1,-0.1 101,-0.1 0.959 133.1 -6.2 -69.4 -49.3 0.4 -9.1 47.9 113 156 A T T 4 S- 0 0 1 2,-0.4 -2,-0.2 100,-0.1 -1,-0.1 0.507 91.2-102.4-128.7 -1.9 3.2 -11.5 48.8 114 157 A R S < S+ 0 0 15 -4,-1.3 2,-0.3 1,-0.3 -3,-0.1 0.039 90.7 115.5 82.0 -12.6 2.8 -14.6 46.8 115 158 A L S S- 0 0 1 317,-0.1 2,-0.9 1,-0.1 -2,-0.4 -0.643 77.7-114.4 -79.2 138.8 1.2 -16.3 49.9 116 159 A V + 0 0 13 -2,-0.3 2,-0.3 -28,-0.1 -6,-0.2 -0.613 55.8 155.8 -75.5 106.2 -2.4 -17.3 49.6 117 160 A L B -G 109 0D 4 -8,-2.8 -8,-3.9 -2,-0.9 -6,-0.1 -0.858 41.6-115.8-128.3 163.9 -4.2 -15.0 52.1 118 161 A T >> - 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