==== 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 2W76 . 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 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61729.0 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 . 16 1.0 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 . 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 . 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 . 4 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 . 134 8.7 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 . 70 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 3 1 3 1 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 . 0 1 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 PARALLEL BRIDGES PER LADDER . 14 10 3 0 6 2 6 5 6 3 2 5 5 5 4 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 0.000 360.0 360.0 360.0 170.9 -23.8 -31.0 41.4 2 45 A E - 0 0 121 45,-0.1 2,-0.3 43,-0.1 45,-0.3 -0.139 360.0-173.1 -64.1 131.7 -22.2 -34.4 40.9 3 46 A V E -A 46 0A 15 43,-4.6 43,-4.2 41,-0.1 2,-0.7 -0.835 26.9-115.1-122.4 157.9 -18.4 -34.9 40.5 4 47 A E E -A 45 0A 125 -2,-0.3 2,-0.3 41,-0.3 41,-0.3 -0.800 39.2-171.6 -96.0 107.3 -16.0 -37.8 39.6 5 48 A F E +A 44 0A 4 39,-3.4 39,-3.4 -2,-0.7 2,-0.1 -0.728 25.7 163.6-104.7 150.0 -13.7 -38.6 42.5 6 49 A D E +A 43 0A 85 -2,-0.3 37,-0.2 37,-0.2 -2,-0.0 -0.540 21.4 145.4-154.1 87.5 -10.6 -40.8 43.0 7 50 A I E -A 42 0A 1 35,-2.0 35,-2.8 -2,-0.1 3,-0.1 -0.952 29.0-159.0-126.1 110.0 -8.6 -40.0 46.2 8 51 A P - 0 0 58 0, 0.0 31,-0.1 0, 0.0 32,-0.1 -0.504 39.5 -72.3 -80.1 157.7 -7.0 -42.9 48.0 9 52 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 31,-0.1 -0.162 75.2 122.9 -55.8 138.1 -5.9 -42.8 51.7 10 53 A Q - 0 0 27 29,-0.2 29,-1.4 -3,-0.1 2,-0.1 -0.906 67.1 -26.6-171.8-172.4 -2.8 -40.7 52.4 11 54 A A B > -B 38 0B 46 -2,-0.3 4,-2.7 27,-0.2 5,-0.3 -0.408 58.6-128.4 -58.3 128.1 -1.6 -37.7 54.4 12 55 A L H > S+ 0 0 0 25,-2.8 4,-2.6 22,-0.4 5,-0.2 0.868 110.7 61.5 -49.8 -37.4 -4.7 -35.6 55.1 13 56 A G H > S+ 0 0 14 21,-0.5 4,-2.1 24,-0.3 3,-0.4 0.974 109.3 38.4 -51.4 -63.7 -2.6 -32.7 53.8 14 57 A S H > S+ 0 0 30 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.839 113.7 56.2 -51.8 -40.6 -2.2 -34.4 50.3 15 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.878 108.5 48.2 -67.5 -34.2 -5.8 -35.7 50.4 16 59 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -3,-0.4 -1,-0.2 0.904 113.6 45.8 -74.0 -38.1 -7.0 -32.2 50.9 17 60 A Q H X S+ 0 0 17 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.954 113.0 49.8 -65.8 -44.2 -4.8 -30.9 48.1 18 61 A E H X S+ 0 0 18 -4,-3.4 4,-2.8 1,-0.2 5,-0.2 0.923 112.4 50.7 -62.2 -43.5 -5.9 -33.8 45.8 19 62 A F H X S+ 0 0 1 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.928 103.1 55.3 -57.0 -51.9 -9.5 -32.9 46.8 20 63 A G H X>S+ 0 0 4 -4,-2.5 5,-2.3 1,-0.2 4,-0.9 0.873 113.8 46.3 -53.1 -38.9 -9.3 -29.2 46.0 21 64 A R H ><5S+ 0 0 31 -4,-1.8 3,-1.1 2,-0.2 -1,-0.2 0.965 110.6 46.0 -63.3 -60.7 -8.2 -30.3 42.6 22 65 A Q H 3<5S+ 0 0 34 -4,-2.8 -18,-0.2 1,-0.2 -2,-0.2 0.829 121.5 41.7 -61.6 -24.2 -10.6 -32.9 41.7 23 66 A A H 3<5S- 0 0 8 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.503 100.3-126.7-102.4 -6.2 -13.4 -30.7 42.9 24 67 A D T <<5S+ 0 0 47 -3,-1.1 2,-0.3 -4,-0.9 -3,-0.2 0.971 72.0 119.1 56.7 57.0 -12.4 -27.2 41.5 25 68 A I < - 0 0 35 -5,-2.3 2,-0.5 -6,-0.1 -1,-0.2 -0.996 67.7-114.5-152.9 141.0 -12.7 -25.8 45.0 26 69 A Q E -c 69 0C 3 42,-2.8 44,-3.1 -2,-0.3 2,-0.6 -0.736 25.5-160.1 -90.2 133.9 -10.3 -24.2 47.4 27 70 A V E -c 70 0C 0 -2,-0.5 64,-1.1 42,-0.2 2,-0.4 -0.934 4.8-169.0-113.9 124.6 -9.5 -26.0 50.5 28 71 A L E +cD 71 90C 14 42,-2.6 44,-3.1 -2,-0.6 2,-0.3 -0.948 17.8 160.0-111.5 136.5 -8.1 -24.1 53.4 29 72 A Y E - D 0 89C 6 60,-1.7 60,-3.0 -2,-0.4 44,-0.1 -0.993 42.9-108.8-153.8 153.5 -6.7 -26.0 56.3 30 73 A R >> - 0 0 50 42,-0.4 4,-1.4 -2,-0.3 3,-0.8 -0.749 23.6-149.4 -85.0 117.9 -4.4 -25.6 59.3 31 74 A P T 34 S+ 0 0 14 0, 0.0 4,-0.4 0, 0.0 3,-0.4 0.910 96.5 51.8 -54.4 -47.7 -1.2 -27.6 58.8 32 75 A E T 34 S+ 0 0 56 1,-0.2 3,-0.4 2,-0.2 4,-0.2 0.786 108.8 54.8 -66.5 -17.8 -0.6 -28.4 62.5 33 76 A E T <4 S+ 0 0 29 -3,-0.8 -1,-0.2 1,-0.2 3,-0.2 0.853 114.4 34.9 -79.9 -34.6 -4.2 -29.7 62.7 34 77 A V S >< S+ 0 0 7 -4,-1.4 3,-1.1 -3,-0.4 -21,-0.5 0.213 88.5 110.0 -98.2 11.0 -4.0 -32.3 59.8 35 78 A R T 3 S+ 0 0 137 -4,-0.4 -1,-0.1 -3,-0.4 -2,-0.1 0.792 82.8 28.5 -75.7 -34.7 -0.4 -33.4 60.4 36 79 A N T 3 S+ 0 0 136 -3,-0.2 2,-0.3 -4,-0.2 -1,-0.3 -0.187 105.3 101.6-116.6 37.9 -0.5 -36.8 61.8 37 80 A K < - 0 0 69 -3,-1.1 -25,-2.8 0, 0.0 2,-0.3 -0.905 51.2-153.7-132.1 151.0 -3.8 -37.8 60.1 38 81 A R B -B 11 0B 164 -2,-0.3 -27,-0.2 -27,-0.2 2,-0.2 -0.922 16.4-125.9-124.8 153.6 -5.0 -39.7 57.1 39 82 A S - 0 0 7 -29,-1.4 2,-0.3 -2,-0.3 17,-0.2 -0.484 24.3-118.1 -82.4 158.1 -8.1 -39.6 54.9 40 83 A S - 0 0 24 15,-2.1 17,-0.1 14,-0.3 -33,-0.1 -0.769 46.0 -87.5 -90.7 150.4 -10.4 -42.5 54.2 41 84 A A - 0 0 61 -2,-0.3 2,-0.4 -32,-0.1 -1,-0.1 -0.190 39.2-163.1 -55.5 138.4 -10.7 -43.5 50.5 42 85 A I E -A 7 0A 4 -35,-2.8 -35,-2.0 -3,-0.0 2,-0.4 -0.999 9.8-176.3-127.0 137.8 -13.2 -41.9 48.2 43 86 A K E -A 6 0A 154 -2,-0.4 -37,-0.2 -37,-0.2 2,-0.2 -0.933 32.5 -17.7-144.0 112.4 -14.2 -43.4 44.9 44 87 A G E S-A 5 0A 20 -39,-3.4 -39,-3.4 -2,-0.4 2,-0.3 -0.511 93.8 -2.6 111.1-167.5 -16.4 -42.4 42.1 45 88 A K E S+A 4 0A 139 -41,-0.3 2,-0.3 -2,-0.2 -41,-0.3 -0.528 76.6 151.3 -67.8 123.6 -19.2 -40.0 41.0 46 89 A L E -A 3 0A 27 -43,-4.2 -43,-4.6 -2,-0.3 -2,-0.1 -0.969 51.8-101.2-150.6 161.9 -20.1 -38.0 44.1 47 90 A E >> - 0 0 79 -2,-0.3 3,-1.7 -45,-0.3 4,-1.6 -0.833 40.4-120.6 -91.9 132.9 -21.5 -34.7 45.3 48 91 A P H 3> S+ 0 0 27 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.669 110.9 47.7 -54.6 -21.7 -18.6 -32.6 46.5 49 92 A N H 3> S+ 0 0 77 2,-0.2 4,-1.5 3,-0.1 5,-0.1 0.796 112.5 45.2 -90.0 -28.7 -20.1 -32.3 50.0 50 93 A Q H X> S+ 0 0 111 -3,-1.7 4,-1.9 2,-0.2 3,-0.7 0.983 114.4 53.6 -64.0 -65.8 -20.8 -36.0 50.5 51 94 A A H 3X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.740 107.2 49.6 -24.8 -53.5 -17.4 -36.7 49.1 52 95 A I H 3X S+ 0 0 0 -4,-1.2 4,-2.3 -5,-0.3 -1,-0.2 0.953 111.7 45.3 -69.6 -44.1 -15.6 -34.3 51.6 53 96 A T H << S+ 0 0 83 -4,-1.5 4,-0.3 -3,-0.7 -1,-0.2 0.746 112.9 52.9 -73.0 -19.8 -17.2 -35.7 54.7 54 97 A E H >< S+ 0 0 88 -4,-1.9 3,-1.8 2,-0.2 -14,-0.3 0.969 109.8 48.1 -71.3 -58.2 -16.5 -39.2 53.5 55 98 A L H 3< S+ 0 0 0 -4,-2.4 -15,-2.1 1,-0.2 -2,-0.2 0.844 112.4 49.2 -38.8 -48.1 -12.9 -38.4 52.9 56 99 A L T ><>S+ 0 0 7 -4,-2.3 3,-2.5 -17,-0.2 5,-0.6 0.512 79.8 130.7 -81.0 -1.6 -12.6 -36.8 56.4 57 100 A R T < 5S+ 0 0 184 -3,-1.8 -17,-0.1 -4,-0.3 -3,-0.1 -0.186 77.6 13.0 -56.2 134.5 -14.2 -39.8 58.2 58 101 A G T 3 5S+ 0 0 87 1,-0.1 -1,-0.3 3,-0.1 -20,-0.1 0.315 105.5 92.3 83.0 -10.5 -12.1 -40.8 61.1 59 102 A T T < 5S- 0 0 3 -3,-2.5 -2,-0.2 2,-0.1 -1,-0.1 0.598 88.6-126.9 -94.1 -14.0 -10.0 -37.6 61.1 60 103 A G T 5 + 0 0 55 -4,-0.4 15,-0.2 1,-0.2 2,-0.2 0.684 61.5 133.9 77.9 19.5 -12.0 -35.6 63.5 61 104 A A < - 0 0 21 -5,-0.6 2,-0.3 13,-0.2 13,-0.3 -0.652 42.6-150.4-107.0 161.6 -12.5 -32.6 61.3 62 105 A S E -E 73 0C 69 11,-3.1 11,-2.1 -2,-0.2 2,-0.4 -0.872 13.7-136.8-122.7 156.2 -15.5 -30.4 60.3 63 106 A V E -E 72 0C 26 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.944 3.8-156.1-116.7 137.4 -16.0 -28.5 57.1 64 107 A D E -E 71 0C 59 7,-1.9 7,-2.2 -2,-0.4 2,-0.5 -0.956 20.3-141.9-108.5 108.3 -17.3 -25.0 56.7 65 108 A F E +E 70 0C 107 -2,-0.6 5,-0.2 5,-0.2 3,-0.1 -0.597 27.2 171.2 -73.0 117.4 -18.8 -24.7 53.2 66 109 A Q E > -E 69 0C 53 3,-2.8 3,-1.1 -2,-0.5 2,-0.6 -0.410 49.9 -94.3-131.3 62.5 -18.0 -21.2 51.9 67 110 A G T 3 S+ 0 0 61 1,-0.3 -1,-0.2 -42,-0.0 34,-0.1 -0.602 110.3 1.9 82.2-113.9 -19.0 -21.0 48.2 68 111 A N T 3 S+ 0 0 34 -2,-0.6 -42,-2.8 29,-0.2 2,-0.3 0.285 132.3 66.1 -85.4 9.6 -16.0 -21.8 46.1 69 112 A A E < -cE 26 66C 6 -3,-1.1 -3,-2.8 -44,-0.2 2,-0.4 -0.927 58.7-167.4-127.0 149.6 -14.0 -22.4 49.3 70 113 A I E -cE 27 65C 4 -44,-3.1 -42,-2.6 -2,-0.3 2,-0.6 -0.994 10.8-156.3-124.8 130.4 -14.2 -25.0 52.1 71 114 A T E -cE 28 64C 21 -7,-2.2 -7,-1.9 -2,-0.4 2,-0.2 -0.917 8.1-151.1-108.7 130.8 -12.3 -24.5 55.2 72 115 A I E + E 0 63C 1 -44,-3.1 -42,-0.4 -2,-0.6 2,-0.3 -0.616 19.3 172.2 -90.2 146.9 -11.4 -27.6 57.3 73 116 A S E - E 0 62C 49 -11,-2.1 -11,-3.1 -2,-0.2 2,-0.5 -0.984 26.8-146.6-149.7 157.6 -10.9 -27.5 61.1 74 117 A V - 0 0 9 -2,-0.3 -13,-0.2 -13,-0.3 -2,-0.0 -0.874 23.1-153.1-128.7 93.5 -10.4 -29.9 63.9 75 118 A A - 0 0 68 -2,-0.5 2,-0.3 -15,-0.2 -2,-0.0 -0.293 5.6-153.7 -60.1 143.2 -12.1 -28.7 67.0 76 119 A E - 0 0 116 1,-0.1 -1,-0.0 -2,-0.0 -2,-0.0 -0.777 27.4-121.0-107.3 162.8 -10.8 -29.7 70.5 77 120 A A S S+ 0 0 119 -2,-0.3 -1,-0.1 1,-0.0 -2,-0.0 0.742 110.9 55.1 -63.9 -29.0 -12.7 -30.0 73.9 78 121 A A + 0 0 85 2,-0.0 -3,-0.0 -3,-0.0 -1,-0.0 0.981 61.6 152.1 -72.0 -91.1 -10.1 -27.4 75.1 79 122 A D - 0 0 108 1,-0.1 3,-0.1 2,-0.0 -4,-0.0 0.961 25.4-163.6 55.1 86.6 -9.9 -24.1 72.9 80 123 A S S S- 0 0 116 1,-0.3 2,-0.2 0, 0.0 -1,-0.1 0.213 70.7 -33.0 -89.6 17.0 -8.7 -21.2 75.2 81 124 A S S S- 0 0 74 417,-0.0 -1,-0.3 2,-0.0 2,-0.3 -0.422 84.3 -90.3 126.6 147.5 -9.7 -18.3 72.8 82 125 A V - 0 0 90 -2,-0.2 2,-0.9 -3,-0.1 3,-0.1 -0.675 16.5-142.0-103.3 145.1 -9.7 -18.6 69.0 83 126 A D > + 0 0 10 -2,-0.3 3,-1.3 1,-0.2 416,-0.1 -0.825 22.4 179.4-102.7 91.8 -6.9 -17.8 66.5 84 127 A L T 3 S+ 0 0 69 -2,-0.9 -1,-0.2 414,-0.6 415,-0.1 0.818 78.9 44.1 -72.1 -34.1 -8.9 -16.3 63.6 85 128 A G T 3 S+ 0 0 4 413,-0.5 -1,-0.3 -3,-0.1 3,-0.1 -0.194 81.0 156.7-101.2 40.3 -5.9 -15.6 61.4 86 129 A A < - 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