==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 19-DEC-08 2W6U . 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, . 1531 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1115 72.8 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 . 740 48.3 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 . 23 1.5 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 . 2 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 . 130 8.5 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 . 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 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 . 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 2 6 2 7 6 6 4 0 5 5 4 3 1 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 0 2 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 0 207 0, 0.0 45,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.6 -23.5 -31.3 41.6 2 45 A E - 0 0 113 45,-0.1 45,-0.3 1,-0.1 2,-0.3 0.114 360.0-160.0 -46.1 139.1 -21.6 -34.7 41.7 3 46 A V E -A 46 0A 15 43,-4.9 43,-3.0 41,-0.1 2,-0.8 -0.864 24.6-108.0-125.1 156.7 -17.8 -35.1 41.0 4 47 A E E -A 45 0A 121 -2,-0.3 2,-0.3 41,-0.3 41,-0.3 -0.689 44.7-166.7 -87.3 110.5 -15.4 -38.0 40.0 5 48 A F E +A 44 0A 6 39,-2.7 39,-2.7 -2,-0.8 2,-0.0 -0.729 28.8 158.0-109.7 149.2 -13.2 -38.9 43.0 6 49 A D E +A 43 0A 87 -2,-0.3 37,-0.2 37,-0.2 16,-0.1 -0.488 16.2 148.8-158.8 82.2 -10.1 -40.9 43.7 7 50 A I E -A 42 0A 0 35,-2.1 35,-1.5 33,-0.1 3,-0.1 -0.850 28.7-156.9-123.4 98.3 -8.1 -40.1 46.8 8 51 A P - 0 0 62 0, 0.0 31,-0.1 0, 0.0 2,-0.1 -0.353 41.5 -80.6 -62.7 150.1 -6.3 -43.1 48.4 9 52 A P S S+ 0 0 60 0, 0.0 2,-0.3 0, 0.0 31,-0.1 -0.335 74.2 130.4 -60.7 128.5 -5.4 -42.8 52.2 10 53 A Q - 0 0 30 -2,-0.1 29,-1.8 -3,-0.1 5,-0.1 -0.849 64.9 -28.8-161.3-177.4 -2.2 -40.7 52.7 11 54 A A B > -B 38 0B 45 -2,-0.3 4,-2.3 27,-0.2 27,-0.3 -0.177 60.1-122.9 -51.3 138.9 -1.1 -37.8 54.9 12 55 A L H > S+ 0 0 0 25,-2.0 4,-3.0 22,-0.4 5,-0.2 0.897 112.3 59.9 -57.7 -37.4 -4.2 -35.7 55.6 13 56 A G H > S+ 0 0 14 21,-0.6 4,-2.6 24,-0.3 5,-0.2 0.955 107.8 40.2 -50.3 -63.4 -2.1 -32.8 54.1 14 57 A S H > S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.815 115.6 53.9 -56.8 -31.1 -1.7 -34.5 50.6 15 58 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.939 108.2 48.4 -73.8 -39.9 -5.2 -35.7 50.8 16 59 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.936 115.1 44.1 -65.4 -44.9 -6.4 -32.2 51.5 17 60 A Q H X S+ 0 0 14 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.787 113.2 51.4 -64.6 -29.4 -4.4 -30.7 48.6 18 61 A E H X S+ 0 0 18 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.848 109.7 52.0 -79.4 -31.6 -5.5 -33.7 46.3 19 62 A F H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 6,-0.3 0.946 102.5 57.3 -66.3 -47.9 -9.1 -33.0 47.2 20 63 A G H X>S+ 0 0 6 -4,-2.3 5,-1.3 2,-0.2 4,-0.6 0.869 112.6 42.9 -49.1 -40.3 -8.8 -29.3 46.4 21 64 A R H ><5S+ 0 0 37 -4,-1.1 3,-1.6 2,-0.2 -2,-0.2 0.986 112.9 46.3 -73.9 -63.1 -7.7 -30.2 42.8 22 65 A Q H 3<5S+ 0 0 36 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.698 121.1 42.5 -53.1 -21.9 -10.1 -33.0 42.0 23 66 A A H 3<5S- 0 0 9 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.476 98.0-132.2-106.8 -4.9 -12.9 -30.9 43.3 24 67 A D T <<5S+ 0 0 47 -3,-1.6 2,-0.3 -4,-0.6 -3,-0.2 0.723 71.1 118.1 59.3 24.6 -12.0 -27.5 41.9 25 68 A I < - 0 0 37 -5,-1.3 2,-0.5 -6,-0.3 -1,-0.2 -0.858 68.9-113.9-121.2 149.5 -12.6 -26.0 45.4 26 69 A Q E -c 69 0C 6 42,-2.9 44,-2.8 -2,-0.3 2,-0.5 -0.762 25.8-158.7 -93.4 131.7 -10.1 -24.3 47.6 27 70 A V E -c 70 0C 0 -2,-0.5 64,-2.4 42,-0.2 2,-0.4 -0.924 8.2-174.6-113.3 126.3 -9.1 -26.1 50.8 28 71 A L E +cD 71 90C 13 42,-2.0 44,-2.6 -2,-0.5 2,-0.3 -0.956 15.7 156.6-113.3 137.8 -7.6 -24.2 53.7 29 72 A Y E - D 0 89C 5 60,-2.2 60,-2.3 -2,-0.4 44,-0.1 -0.961 43.6-103.5-153.1 161.8 -6.3 -26.0 56.8 30 73 A R >> - 0 0 58 42,-0.5 3,-1.5 -2,-0.3 4,-1.3 -0.782 25.1-140.4 -92.2 123.7 -3.8 -25.4 59.6 31 74 A P G >4 S+ 0 0 14 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.945 99.7 49.9 -47.0 -57.6 -0.6 -27.4 59.2 32 75 A E G 34 S+ 0 0 57 1,-0.2 3,-0.3 2,-0.2 4,-0.2 0.642 107.5 58.5 -66.6 -7.0 -0.1 -28.3 62.9 33 76 A E G <4 S+ 0 0 27 -3,-1.5 -1,-0.2 1,-0.2 3,-0.2 0.833 111.9 35.4 -87.6 -30.6 -3.7 -29.6 63.0 34 77 A V S X< S+ 0 0 8 -4,-1.3 3,-0.7 -3,-1.0 -21,-0.6 0.053 88.8 106.8-103.4 23.9 -3.4 -32.2 60.1 35 78 A R T 3 S+ 0 0 138 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.893 85.2 25.0 -81.3 -41.5 0.2 -33.4 60.7 36 79 A N T 3 S+ 0 0 139 -3,-0.2 2,-0.3 -4,-0.2 -1,-0.3 -0.257 106.4 99.3-122.6 36.0 0.1 -36.9 62.2 37 80 A K < - 0 0 76 -3,-0.7 -25,-2.0 0, 0.0 -24,-0.3 -0.890 55.2-154.4-127.7 152.6 -3.2 -37.7 60.8 38 81 A R B -B 11 0B 161 -2,-0.3 -27,-0.2 -27,-0.3 2,-0.2 -0.950 15.7-123.2-132.4 151.8 -4.3 -39.7 57.7 39 82 A S - 0 0 4 -29,-1.8 2,-0.3 -2,-0.3 17,-0.2 -0.547 24.7-115.7 -93.6 152.0 -7.4 -39.5 55.5 40 83 A S - 0 0 21 15,-2.1 17,-0.1 14,-0.2 -30,-0.1 -0.656 43.2 -87.3 -89.7 152.0 -9.7 -42.4 54.7 41 84 A A - 0 0 63 -2,-0.3 2,-0.4 -32,-0.1 -1,-0.1 -0.163 40.4-169.0 -47.9 136.8 -10.1 -43.7 51.2 42 85 A I E +A 7 0A 5 -35,-1.5 -35,-2.1 -3,-0.1 2,-0.4 -0.977 9.0 174.3-130.7 129.9 -12.6 -42.1 48.9 43 86 A K E +A 6 0A 163 -2,-0.4 -37,-0.2 -37,-0.2 2,-0.1 -0.979 32.2 15.2-136.2 127.2 -13.6 -43.6 45.5 44 87 A G E S-A 5 0A 26 -39,-2.7 -39,-2.7 -2,-0.4 2,-0.3 -0.483 90.2 -30.7 123.4 176.2 -16.2 -42.8 42.8 45 88 A K E S+A 4 0A 138 -41,-0.3 2,-0.3 -2,-0.1 -41,-0.3 -0.578 76.1 157.9 -64.9 129.2 -18.7 -40.2 41.3 46 89 A L E -A 3 0A 31 -43,-3.0 -43,-4.9 -2,-0.3 -2,-0.1 -0.997 51.4-101.4-156.1 148.1 -19.8 -38.2 44.4 47 90 A E >> - 0 0 85 -45,-0.3 4,-2.0 -2,-0.3 3,-1.6 -0.717 42.7-124.5 -75.8 127.0 -21.2 -34.9 45.6 48 91 A P H 3> S+ 0 0 25 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.683 108.0 53.6 -46.7 -32.5 -18.2 -32.9 47.0 49 92 A N H 3> S+ 0 0 79 2,-0.2 4,-1.4 1,-0.1 5,-0.2 0.847 110.2 45.7 -77.8 -31.3 -19.7 -32.4 50.4 50 93 A Q H <> S+ 0 0 113 -3,-1.6 4,-2.0 2,-0.2 5,-0.2 0.976 111.7 56.3 -64.4 -54.2 -20.4 -36.1 50.8 51 94 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.815 107.9 45.0 -39.2 -51.8 -16.7 -36.7 49.5 52 95 A I H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.945 112.4 48.4 -70.4 -47.9 -15.0 -34.4 52.1 53 96 A T H X S+ 0 0 81 -4,-1.4 4,-0.5 1,-0.2 -1,-0.2 0.838 115.1 49.1 -58.4 -28.7 -16.9 -35.7 55.2 54 97 A E H >< S+ 0 0 91 -4,-2.0 3,-0.5 2,-0.2 -2,-0.2 0.908 110.6 49.6 -76.1 -38.3 -16.1 -39.2 53.9 55 98 A L H 3< S+ 0 0 0 -4,-2.3 -15,-2.1 1,-0.2 -2,-0.2 0.856 111.9 47.7 -67.6 -35.4 -12.4 -38.2 53.4 56 99 A L H >< S+ 0 0 6 -4,-2.7 3,-2.7 -17,-0.2 5,-0.5 0.599 79.0 134.3 -83.4 -9.9 -12.1 -36.8 57.0 57 100 A R T << S+ 0 0 184 -4,-0.5 -17,-0.2 -3,-0.5 -3,-0.1 -0.065 76.5 13.7 -44.6 128.9 -13.7 -39.8 58.6 58 101 A G T 3 S+ 0 0 86 3,-0.1 -1,-0.3 -19,-0.1 -20,-0.1 0.334 104.0 95.8 89.1 -5.9 -11.7 -40.8 61.6 59 102 A T S < S- 0 0 8 -3,-2.7 -2,-0.1 2,-0.1 3,-0.1 0.334 88.9-119.3-102.7 1.2 -9.6 -37.6 61.8 60 103 A G + 0 0 57 1,-0.2 15,-0.5 -4,-0.2 2,-0.2 0.398 68.6 140.2 70.9 -1.0 -11.4 -35.3 64.4 61 104 A A - 0 0 22 -5,-0.5 2,-0.2 13,-0.2 13,-0.2 -0.491 36.9-163.4 -89.5 148.7 -11.9 -32.8 61.6 62 105 A S E -E 73 0C 64 11,-2.5 11,-1.5 -2,-0.2 2,-0.4 -0.701 14.6-131.3-115.5 169.3 -14.9 -30.5 60.8 63 106 A V E -E 72 0C 32 -2,-0.2 2,-0.9 9,-0.2 9,-0.2 -0.970 6.5-158.8-135.7 123.7 -15.7 -28.6 57.6 64 107 A D E -E 71 0C 62 7,-2.4 7,-1.7 -2,-0.4 2,-0.4 -0.819 21.6-143.8 -97.1 100.1 -16.7 -25.0 57.1 65 108 A F E +E 70 0C 106 -2,-0.9 5,-0.2 5,-0.2 3,-0.1 -0.533 26.3 173.0 -66.3 118.6 -18.5 -24.8 53.7 66 109 A Q E > -E 69 0C 56 3,-2.8 3,-2.1 -2,-0.4 2,-0.4 -0.336 47.4 -97.5-133.4 61.6 -17.5 -21.4 52.2 67 110 A G T 3 S- 0 0 64 1,-0.3 -1,-0.3 -42,-0.0 34,-0.1 -0.620 111.4 -0.9 73.4-120.4 -18.7 -21.0 48.6 68 111 A N T 3 S+ 0 0 35 -2,-0.4 -42,-2.9 29,-0.2 2,-0.3 0.540 134.0 64.9 -74.1 -4.9 -15.7 -21.9 46.5 69 112 A A E < -cE 26 66C 7 -3,-2.1 -3,-2.8 -44,-0.2 2,-0.4 -0.860 57.9-168.8-116.7 147.9 -13.6 -22.5 49.7 70 113 A I E -cE 27 65C 3 -44,-2.8 -42,-2.0 -2,-0.3 2,-0.6 -0.997 12.7-154.5-121.2 135.6 -13.9 -25.1 52.5 71 114 A T E -cE 28 64C 21 -7,-1.7 -7,-2.4 -2,-0.4 2,-0.4 -0.955 6.3-146.8-111.0 132.0 -11.9 -24.6 55.6 72 115 A I E + E 0 63C 1 -44,-2.6 -42,-0.5 -2,-0.6 2,-0.3 -0.706 21.5 175.5 -88.5 130.1 -10.9 -27.6 57.7 73 116 A S E - E 0 62C 52 -11,-1.5 -11,-2.5 -2,-0.4 2,-0.4 -0.906 22.4-148.9-126.1 159.9 -10.6 -27.2 61.5 74 117 A V - 0 0 12 -2,-0.3 -13,-0.2 -13,-0.2 -14,-0.0 -0.861 21.8-147.9-131.5 104.9 -10.0 -29.7 64.3 75 118 A A - 0 0 69 -15,-0.5 2,-0.3 -2,-0.4 -2,-0.0 -0.285 7.5-157.3 -73.9 150.3 -11.7 -28.6 67.6 76 119 A E - 0 0 106 1,-0.0 -1,-0.0 -2,-0.0 -2,-0.0 -0.917 24.6-134.5-118.2 151.4 -10.3 -29.4 71.1 77 120 A A S S+ 0 0 116 -2,-0.3 -2,-0.0 1,-0.1 -1,-0.0 0.421 107.3 61.6 -82.7 -0.2 -12.3 -29.5 74.3 78 121 A A + 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.909 65.4 154.2 -79.0 -79.8 -9.4 -27.4 75.6 79 122 A D - 0 0 104 1,-0.1 3,-0.1 2,-0.0 -4,-0.0 0.904 25.5-165.7 46.9 72.6 -9.5 -24.1 73.4 80 123 A S - 0 0 120 1,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.532 68.6 -47.7 -57.5 -14.1 -7.8 -21.3 75.6 81 124 A S S S- 0 0 79 417,-0.0 2,-0.4 2,-0.0 -1,-0.1 -0.747 79.3 -72.7 144.9 166.8 -9.3 -18.6 73.2 82 125 A V - 0 0 75 -2,-0.2 2,-0.8 -3,-0.1 3,-0.1 -0.744 17.3-153.4-105.4 141.2 -9.2 -18.4 69.4 83 126 A D > + 0 0 8 -2,-0.4 3,-1.5 1,-0.2 416,-0.1 -0.798 21.1 175.4-101.4 87.0 -6.5 -17.7 66.8 84 127 A L T 3 S+ 0 0 68 -2,-0.8 -1,-0.2 414,-0.5 415,-0.1 0.836 79.8 42.0 -66.2 -39.4 -8.7 -16.2 63.9 85 128 A G T 3 S+ 0 0 4 413,-0.4 -1,-0.3 -3,-0.1 3,-0.1 -0.097 84.8 152.6 -97.1 32.0 -5.7 -15.4 61.7 86 129 A A < - 0 0 5 -3,-1.5 2,-0.3 1,-0.1 343,-0.1 -0.229 59.0 -82.4 -57.3 150.0 -3.8 -18.6 62.4 87 130 A T - 0 0 2 341,-0.6 2,-0.4 406,-0.1 -1,-0.1 -0.430 54.5-175.9 -61.2 119.3 -1.4 -19.9 59.7 88 131 A M - 0 0 35 -2,-0.3 -58,-0.3 28,-0.2 2,-0.2 -0.988 17.2-144.4-128.1 123.1 -3.3 -21.8 57.1 89 132 A I E -D 29 0C 10 -60,-2.3 -60,-2.2 -2,-0.4 2,-0.3 -0.549 23.7-150.8 -87.3 167.0 -2.0 -23.7 54.2 90 133 A T E -D 28 0C 4 -62,-0.2 -62,-0.2 -2,-0.2 3,-0.1 -0.977 25.6-142.2-155.6 132.2 -3.9 -23.7 51.1 91 134 A S S S+ 0 0 14 -64,-2.4 2,-0.6 -2,-0.3 -63,-0.1 0.759 93.1 53.1 -80.4 -22.4 -4.7 -25.8 47.9 92 135 A N > - 0 0 31 -65,-0.2 3,-2.5 1,-0.1 -1,-0.2 -0.875 65.9-160.6-118.6 104.1 -4.9 -22.9 45.4 93 136 A Q T 3 S+ 0 0 12 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.550 93.2 51.4 -58.9 -10.4 -1.8 -20.6 45.4 94 137 A L T 3 S- 0 0 34 1,-0.4 16,-0.6 15,-0.1 -1,-0.3 0.581 113.0-121.0 -98.8 -4.5 -3.7 -17.8 43.7 95 138 A G B < -F 109 0D 0 -3,-2.5 -1,-0.4 14,-0.2 2,-0.3 -0.527 55.1 -13.0 98.4-169.5 -6.6 -17.9 46.2 96 139 A T - 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