==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT, TRANSPORT PROTEIN 02-JAN-13 4IMH . COMPND 2 MOLECULE: HEMIN DEGRADING FACTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR S.M.TRIPATHI,POULOS T.L. . 694 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32326.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 492 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 204 29.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 . 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 . 45 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 0 0 2 1 9 1 2 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 4 13 7 0 6 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 8 A S 0 0 167 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-101.4 19.9 -16.8 -20.1 2 9 A H - 0 0 86 4,-0.0 3,-0.0 3,-0.0 0, 0.0 -0.996 360.0-156.6-129.9 135.9 20.6 -18.3 -16.6 3 10 A S > - 0 0 46 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.692 38.8-111.3 -90.4 162.4 18.4 -19.9 -14.0 4 11 A P H > S+ 0 0 44 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.890 119.8 53.9 -61.2 -34.2 19.7 -19.7 -10.5 5 12 A A H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.913 110.3 46.9 -62.0 -43.7 20.3 -23.5 -10.6 6 13 A E H > S+ 0 0 108 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 112.1 50.5 -65.4 -39.9 22.3 -23.2 -13.8 7 14 A L H X S+ 0 0 8 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.916 109.5 49.2 -67.4 -42.9 24.3 -20.3 -12.4 8 15 A Y H X S+ 0 0 47 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.954 113.5 47.1 -61.7 -44.8 25.2 -22.1 -9.2 9 16 A R H X S+ 0 0 183 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.892 111.9 50.0 -65.7 -40.3 26.3 -25.1 -11.2 10 17 A A H X S+ 0 0 28 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.897 111.4 50.6 -62.0 -40.4 28.4 -22.9 -13.6 11 18 A W H X S+ 0 0 12 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.955 109.6 48.3 -62.3 -50.3 29.9 -21.2 -10.6 12 19 A Q H X S+ 0 0 48 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.841 108.6 55.3 -63.3 -33.3 30.9 -24.6 -8.9 13 20 A D H X S+ 0 0 90 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.917 108.5 48.0 -63.5 -41.5 32.4 -25.8 -12.2 14 21 A L H X S+ 0 0 26 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.895 109.6 53.1 -64.0 -42.9 34.6 -22.7 -12.3 15 22 A R H < S+ 0 0 76 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.774 106.4 51.9 -60.6 -34.9 35.7 -23.2 -8.7 16 23 A A H < S+ 0 0 74 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.925 116.3 41.7 -66.0 -43.3 36.7 -26.7 -9.3 17 24 A E H < S+ 0 0 133 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.786 133.5 17.5 -71.5 -34.1 38.8 -25.4 -12.2 18 25 A R >< + 0 0 94 -4,-2.3 3,-2.4 -5,-0.1 -1,-0.2 -0.568 60.2 173.2-146.9 75.2 40.2 -22.3 -10.4 19 26 A P T 3 S+ 0 0 53 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.651 78.0 69.9 -69.6 -8.6 39.9 -22.3 -6.6 20 27 A Q T 3 S+ 0 0 28 2,-0.1 2,-0.5 602,-0.0 601,-0.1 0.718 77.1 108.3 -74.2 -13.3 41.9 -19.1 -6.4 21 28 A L < - 0 0 21 -3,-2.4 2,-0.1 -7,-0.2 -3,-0.1 -0.484 61.8-150.8 -72.2 117.3 38.9 -17.4 -7.9 22 29 A R >> - 0 0 108 -2,-0.5 4,-2.6 1,-0.1 3,-0.5 -0.424 28.6-105.8 -82.8 160.5 37.0 -15.3 -5.4 23 30 A A H 3> S+ 0 0 25 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.881 118.7 57.6 -59.4 -39.8 33.2 -14.8 -5.8 24 31 A R H 3> S+ 0 0 46 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.897 113.0 40.2 -54.8 -44.1 33.6 -11.2 -7.0 25 32 A D H <> S+ 0 0 69 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.846 113.2 53.6 -77.6 -38.5 35.8 -12.4 -9.9 26 33 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.929 106.1 53.8 -61.1 -45.5 33.7 -15.5 -10.6 27 34 A A H <>S+ 0 0 1 -4,-3.1 5,-2.4 1,-0.2 4,-0.4 0.938 108.1 50.2 -54.2 -46.9 30.6 -13.4 -10.9 28 35 A A H ><5S+ 0 0 62 -4,-1.4 3,-1.1 1,-0.3 -1,-0.2 0.898 109.8 50.3 -61.6 -41.9 32.4 -11.2 -13.5 29 36 A L H 3<5S+ 0 0 81 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.849 112.4 47.6 -60.9 -33.4 33.4 -14.2 -15.5 30 37 A L T 3<5S- 0 0 22 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.349 115.0-117.8 -93.3 4.0 29.8 -15.5 -15.4 31 38 A Q T < 5S+ 0 0 163 -3,-1.1 2,-0.3 -4,-0.4 -3,-0.2 0.880 78.4 103.3 65.1 43.0 28.5 -12.1 -16.4 32 39 A V S - 0 0 19 -2,-0.3 4,-1.9 -3,-0.1 104,-0.1 -0.477 33.9-115.6 -76.2 155.5 26.8 -9.5 -10.1 34 41 A E H > S+ 0 0 10 102,-0.3 4,-2.9 1,-0.2 5,-0.2 0.869 117.1 58.4 -58.4 -35.1 28.2 -11.1 -7.0 35 42 A G H > S+ 0 0 0 101,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.908 105.7 47.3 -63.8 -42.2 24.8 -10.6 -5.4 36 43 A E H > S+ 0 0 66 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.853 111.0 53.1 -62.6 -38.4 23.1 -12.7 -8.1 37 44 A L H >< S+ 0 0 1 -4,-1.9 3,-0.6 2,-0.2 4,-0.2 0.954 111.4 45.0 -64.5 -46.9 25.8 -15.2 -7.6 38 45 A V H >< S+ 0 0 2 -4,-2.9 3,-2.0 1,-0.2 4,-0.3 0.888 106.8 59.0 -62.9 -38.7 25.1 -15.3 -3.9 39 46 A A H >< S+ 0 0 2 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.827 95.4 65.3 -58.7 -29.5 21.3 -15.4 -4.5 40 47 A S T << S+ 0 0 6 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.591 94.1 62.0 -69.8 -11.3 21.9 -18.7 -6.5 41 48 A R T X>>S+ 0 0 12 -3,-2.0 3,-2.3 -4,-0.2 4,-2.2 0.507 73.8 117.6 -86.1 -12.6 23.0 -20.3 -3.1 42 49 A V B <45S+a 46 0A 20 -3,-1.6 5,-0.2 -4,-0.3 126,-0.1 -0.384 82.6 18.7 -64.4 128.8 19.6 -19.8 -1.5 43 50 A G T 345S+ 0 0 79 3,-1.8 -1,-0.3 -2,-0.1 4,-0.1 0.281 124.8 62.2 91.9 -11.9 18.2 -23.2 -0.6 44 51 A I T <45S- 0 0 95 -3,-2.3 -2,-0.2 2,-0.2 -3,-0.1 0.802 135.0 -32.3-104.6 -65.5 21.7 -24.7 -0.8 45 52 A D T <5S+ 0 0 33 -4,-2.2 73,-2.6 74,-0.0 2,-0.3 0.183 118.1 76.2-145.5 19.5 23.7 -23.0 1.8 46 53 A A E < -aB 42 117A 5 -5,-1.6 -3,-1.8 71,-0.2 2,-0.4 -0.956 53.4-158.1-132.0 152.5 22.3 -19.4 2.0 47 54 A V E - B 0 116A 29 69,-2.5 69,-2.8 -2,-0.3 2,-0.3 -0.996 23.1-127.0-125.2 128.8 19.2 -17.9 3.5 48 55 A R E - B 0 115A 36 -2,-0.4 114,-2.3 67,-0.2 2,-0.3 -0.609 27.0-156.4 -76.2 133.3 17.8 -14.6 2.4 49 56 A L E -CB 161 114A 2 65,-2.7 65,-0.6 -2,-0.3 112,-0.2 -0.719 24.5 -97.9-104.5 158.8 17.3 -12.1 5.2 50 57 A R - 0 0 89 110,-3.1 2,-2.3 -2,-0.3 6,-0.1 -0.596 32.2-121.5 -66.8 138.7 14.9 -9.1 5.3 51 58 A P + 0 0 72 0, 0.0 2,-1.2 0, 0.0 3,-0.2 -0.229 65.3 140.0 -76.0 51.2 16.7 -5.8 4.5 52 59 A D >> + 0 0 62 -2,-2.3 4,-3.4 1,-0.2 3,-1.4 -0.680 25.1 175.9 -99.0 78.9 15.6 -4.5 7.9 53 60 A W H 3> S+ 0 0 26 -2,-1.2 4,-2.4 1,-0.3 -1,-0.2 0.846 72.9 57.3 -63.5 -34.8 18.8 -2.7 8.8 54 61 A A H 34 S+ 0 0 61 1,-0.2 -1,-0.3 2,-0.2 34,-0.1 0.734 118.3 34.3 -68.5 -23.3 17.6 -1.3 12.1 55 62 A A H <> S+ 0 0 40 -3,-1.4 4,-1.6 3,-0.1 -2,-0.2 0.843 120.6 48.0 -91.5 -45.5 16.9 -4.8 13.3 56 63 A L H X S+ 0 0 1 -4,-3.4 4,-1.5 2,-0.2 -3,-0.2 0.928 107.7 51.9 -63.5 -49.2 19.7 -6.6 11.6 57 64 A L H >X S+ 0 0 2 -4,-2.4 3,-0.7 1,-0.2 4,-0.6 0.943 111.6 43.6 -64.8 -50.4 22.6 -4.3 12.5 58 65 A P H >4 S+ 0 0 66 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.905 110.0 59.2 -58.3 -37.1 22.1 -4.2 16.3 59 66 A A H >< S+ 0 0 5 -4,-1.6 3,-2.3 1,-0.3 4,-0.4 0.821 89.4 70.1 -61.8 -29.2 21.5 -8.0 16.3 60 67 A L H X< S+ 0 0 3 -4,-1.5 3,-1.7 -3,-0.7 23,-0.4 0.822 86.0 72.3 -58.8 -24.4 24.9 -8.6 14.8 61 68 A G G X< S+ 0 0 15 -3,-1.6 3,-1.1 -4,-0.6 -1,-0.3 0.707 83.7 65.6 -58.3 -26.4 26.1 -7.5 18.2 62 69 A E G < S+ 0 0 90 -3,-2.3 -1,-0.3 1,-0.2 90,-0.2 0.663 86.6 72.1 -71.9 -18.5 24.9 -10.8 19.7 63 70 A L G < S- 0 0 0 -3,-1.7 86,-2.7 -4,-0.4 -1,-0.2 0.550 91.7-147.3 -75.0 -7.9 27.5 -12.7 17.7 64 71 A G < + 0 0 13 -3,-1.1 19,-0.6 84,-0.2 -1,-0.2 -0.351 62.6 10.8 67.9-156.1 30.4 -11.5 19.8 65 72 A P E S+D 82 0A 58 0, 0.0 80,-0.6 0, 0.0 2,-0.2 -0.283 77.9 160.9 -60.1 131.4 33.8 -10.9 18.1 66 73 A I E -DE 81 144A 3 15,-2.6 15,-2.1 78,-0.2 2,-0.5 -0.686 40.6-107.9-131.1-178.2 33.5 -11.1 14.3 67 74 A M E -DE 80 143A 30 76,-2.3 76,-3.2 -2,-0.2 2,-0.5 -0.998 27.2-156.6-120.0 122.6 35.5 -10.0 11.3 68 75 A A E -DE 79 142A 0 11,-2.7 11,-2.5 -2,-0.5 2,-0.5 -0.884 8.6-165.1 -99.2 130.9 34.1 -7.1 9.3 69 76 A L E +DE 78 141A 23 72,-3.0 72,-2.1 -2,-0.5 2,-0.4 -0.979 14.4 165.9-124.9 119.8 35.2 -6.9 5.6 70 77 A T E +D 77 0A 1 7,-2.2 7,-2.6 -2,-0.5 2,-0.3 -0.990 14.3 160.4-130.1 138.8 34.7 -3.8 3.4 71 78 A R E -D 76 0A 42 -2,-0.4 5,-0.2 68,-0.3 2,-0.2 -0.957 28.7-153.0-148.2 166.8 36.4 -3.3 0.2 72 79 A N - 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