==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 18-JAN-10 3LFP . COMPND 2 MOLECULE: CSP231I C PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER SP. RFL231; . AUTHOR J.E.MCGEEHAN,S.D.STREETER,S.J.THRESH,G.G.KNEALE . 96 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6487.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 52.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.2 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 0 1 0 0 1 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 50 0, 0.0 2,-0.6 0, 0.0 64,-0.2 0.000 360.0 360.0 360.0 144.4 -4.9 -13.3 23.6 2 2 A L >> - 0 0 41 62,-3.1 4,-1.6 1,-0.1 3,-0.5 -0.815 360.0-149.4 -94.0 128.1 -2.2 -10.6 24.0 3 3 A I H 3> S+ 0 0 70 -2,-0.6 4,-2.3 1,-0.3 5,-0.2 0.809 92.7 57.1 -70.2 -27.6 -0.4 -10.1 20.7 4 4 A R H 3> S+ 0 0 104 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.871 105.0 52.4 -70.2 -32.9 2.9 -9.2 22.1 5 5 A R H <> S+ 0 0 10 -3,-0.5 4,-2.0 59,-0.2 -1,-0.2 0.901 111.8 45.1 -66.9 -47.1 3.1 -12.4 24.0 6 6 A L H X S+ 0 0 0 -4,-1.6 4,-2.8 58,-0.2 5,-0.2 0.957 116.5 45.4 -62.0 -52.0 2.4 -14.5 20.8 7 7 A K H X S+ 0 0 101 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.949 113.8 49.0 -57.0 -46.7 4.9 -12.5 18.7 8 8 A D H X S+ 0 0 66 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.914 113.7 46.4 -61.1 -42.7 7.7 -12.5 21.3 9 9 A A H X S+ 0 0 2 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.896 111.9 50.4 -71.5 -35.6 7.3 -16.2 21.8 10 10 A R H X>S+ 0 0 26 -4,-2.8 5,-1.4 2,-0.2 4,-1.1 0.933 110.7 49.0 -65.1 -45.7 7.3 -16.9 18.1 11 11 A L H <5S+ 0 0 100 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.896 108.6 53.8 -64.9 -34.6 10.4 -14.9 17.5 12 12 A R H <5S+ 0 0 134 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.898 106.7 53.7 -63.6 -33.4 12.1 -16.7 20.4 13 13 A A H <5S- 0 0 47 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.716 107.2-130.6 -72.5 -19.2 11.2 -20.0 18.6 14 14 A G T <5 + 0 0 68 -4,-1.1 2,-0.3 -3,-0.4 -3,-0.2 0.827 62.4 124.6 79.3 26.8 12.9 -18.8 15.4 15 15 A I < - 0 0 30 -5,-1.4 -1,-0.3 1,-0.0 -2,-0.1 -0.873 57.5-113.9-125.1 157.6 9.9 -19.7 13.1 16 16 A S > - 0 0 60 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.311 31.6-107.4 -79.8 165.4 7.7 -17.8 10.6 17 17 A Q H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.933 120.4 51.0 -54.1 -45.2 4.0 -17.0 10.9 18 18 A E H > S+ 0 0 100 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.894 109.4 46.0 -61.0 -47.3 3.3 -19.6 8.3 19 19 A K H > S+ 0 0 115 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.905 112.6 51.8 -68.6 -41.6 5.2 -22.5 9.9 20 20 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.956 113.1 45.7 -55.9 -47.1 3.7 -21.7 13.3 21 21 A G H <>S+ 0 0 0 -4,-2.3 5,-2.8 2,-0.2 -2,-0.2 0.897 112.4 49.4 -64.3 -44.5 0.2 -21.8 11.8 22 22 A V H ><5S+ 0 0 47 -4,-2.7 3,-2.3 1,-0.2 -1,-0.2 0.960 112.4 47.2 -62.8 -49.6 0.8 -25.0 9.8 23 23 A L H 3<5S+ 0 0 100 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.803 108.4 56.8 -60.7 -27.9 2.2 -26.9 12.8 24 24 A A T 3<5S- 0 0 2 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.341 127.5 -98.8 -88.5 8.8 -0.8 -25.6 14.9 25 25 A G T < 5S+ 0 0 54 -3,-2.3 2,-0.4 1,-0.3 -3,-0.2 0.571 74.4 140.5 93.9 12.5 -3.2 -27.2 12.4 26 26 A I < - 0 0 11 -5,-2.8 -1,-0.3 -6,-0.1 5,-0.2 -0.715 64.3 -98.0 -84.8 139.0 -4.2 -24.3 10.1 27 27 A D >> - 0 0 94 -2,-0.4 4,-1.4 1,-0.1 3,-1.4 -0.250 33.7-119.1 -52.5 139.3 -4.5 -25.2 6.4 28 28 A E H 3> S+ 0 0 119 1,-0.3 4,-0.6 2,-0.2 3,-0.3 0.846 111.8 55.5 -57.9 -36.3 -1.3 -24.2 4.5 29 29 A A H 34 S+ 0 0 90 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.830 119.2 32.0 -66.4 -29.3 -3.1 -21.8 2.2 30 30 A S H <> S+ 0 0 47 -3,-1.4 4,-2.6 2,-0.1 5,-0.2 0.555 94.5 95.5 -96.4 -9.9 -4.6 -19.9 5.2 31 31 A A H X S+ 0 0 0 -4,-1.4 4,-2.5 -3,-0.3 5,-0.2 0.905 87.3 38.3 -64.5 -49.3 -1.8 -20.3 7.7 32 32 A S H X S+ 0 0 48 -4,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.917 117.5 49.4 -71.3 -37.1 0.1 -17.1 7.2 33 33 A A H > S+ 0 0 61 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.920 114.9 45.7 -61.4 -41.8 -2.9 -14.9 6.7 34 34 A R H X S+ 0 0 92 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.904 112.3 50.0 -67.3 -47.1 -4.6 -16.3 9.9 35 35 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.875 109.0 52.6 -62.6 -36.6 -1.5 -16.0 12.0 36 36 A N H X S+ 0 0 36 -4,-2.1 4,-1.7 -5,-0.2 6,-0.3 0.867 105.4 54.1 -67.5 -35.9 -1.0 -12.4 10.9 37 37 A Q H X>S+ 0 0 64 -4,-1.6 5,-1.6 1,-0.2 6,-0.8 0.943 112.4 46.1 -57.7 -50.5 -4.6 -11.6 12.0 38 38 A Y H <5S+ 0 0 13 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.879 112.8 48.0 -59.8 -43.2 -3.8 -13.0 15.4 39 39 A E H <5S+ 0 0 14 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.732 112.6 48.4 -75.6 -20.1 -0.5 -11.2 15.7 40 40 A K H <5S- 0 0 118 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.492 111.3-119.6 -93.0 -5.6 -2.0 -7.9 14.7 41 41 A G T <5S+ 0 0 43 -4,-0.7 -3,-0.2 -3,-0.5 3,-0.1 0.599 73.3 133.9 78.2 13.6 -4.9 -8.3 17.2 42 42 A K S - 0 0 83 1,-0.1 4,-2.3 -2,-0.1 5,-0.1 -0.294 39.7-102.6 -66.7 161.9 -10.0 -20.0 20.5 47 47 A F H > S+ 0 0 108 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.827 122.0 58.9 -59.8 -31.2 -8.3 -21.6 23.6 48 48 A E H > S+ 0 0 127 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.937 108.2 44.8 -70.2 -37.1 -7.9 -24.9 21.8 49 49 A M H > S+ 0 0 9 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.930 109.8 55.6 -68.6 -40.6 -5.9 -23.2 19.1 50 50 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.876 106.5 51.5 -57.0 -42.8 -3.9 -21.2 21.7 51 51 A N H X S+ 0 0 65 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.870 109.4 48.8 -61.1 -41.8 -2.9 -24.5 23.3 52 52 A R H X S+ 0 0 104 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.921 113.2 48.3 -63.5 -45.2 -1.8 -25.9 20.0 53 53 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.949 110.6 51.2 -54.7 -49.6 0.2 -22.7 19.4 54 54 A A H X>S+ 0 0 3 -4,-2.9 5,-2.0 2,-0.2 4,-1.0 0.876 107.7 52.6 -58.3 -39.4 1.8 -22.9 22.9 55 55 A K H ><5S+ 0 0 176 -4,-2.0 3,-0.7 2,-0.2 -1,-0.2 0.957 111.7 45.3 -67.5 -40.9 2.9 -26.5 22.4 56 56 A V H 3<5S+ 0 0 37 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.912 117.2 46.0 -59.8 -43.2 4.7 -25.6 19.1 57 57 A L H 3<5S- 0 0 12 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.549 107.0-130.2 -79.5 -9.0 6.2 -22.6 20.9 58 58 A K T <<5 + 0 0 165 -4,-1.0 -3,-0.2 -3,-0.7 -4,-0.1 0.922 65.4 122.0 56.7 48.6 7.2 -24.7 23.9 59 59 A I S - 0 0 27 0, 0.0 3,-1.3 0, 0.0 4,-0.4 -0.542 40.3-126.1 -69.5 140.0 2.9 -22.6 29.1 61 61 A V G > S+ 0 0 28 1,-0.2 3,-1.7 -2,-0.2 4,-0.3 0.859 104.1 65.1 -64.0 -32.3 -0.4 -21.5 27.3 62 62 A S G > S+ 0 0 62 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.705 83.4 76.6 -73.2 -12.0 -1.3 -18.9 29.9 63 63 A Y G X S+ 0 0 10 -3,-1.3 3,-1.3 1,-0.2 -1,-0.3 0.913 90.4 56.9 -52.5 -42.6 1.8 -16.8 29.0 64 64 A L G < S+ 0 0 0 -3,-1.7 -62,-3.1 -4,-0.4 -1,-0.2 0.640 111.2 42.7 -64.3 -19.3 -0.3 -15.8 25.9 65 65 A Y G < S+ 0 0 82 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.232 86.3 106.1-108.3 10.3 -3.0 -14.4 28.2 66 66 A T < - 0 0 12 -3,-1.3 6,-0.1 -4,-0.3 -61,-0.0 -0.820 39.6-178.4-100.2 105.9 -1.0 -12.6 30.9 67 67 A P + 0 0 68 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.774 61.3 89.2 -76.5 -18.4 -1.1 -8.8 30.6 68 68 A E > - 0 0 98 1,-0.2 4,-2.8 2,-0.0 5,-0.2 -0.662 67.0-154.1 -82.9 114.8 1.3 -8.2 33.5 69 69 A D H > S+ 0 0 99 -2,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.896 92.8 48.5 -60.5 -39.0 4.9 -8.2 32.2 70 70 A D H > S+ 0 0 125 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.888 112.9 45.8 -71.2 -35.3 6.4 -9.3 35.4 71 71 A L H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.916 109.7 56.8 -68.9 -39.8 4.0 -12.1 36.0 72 72 A A H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.912 105.0 52.5 -58.2 -39.7 4.5 -13.2 32.3 73 73 A Q H X S+ 0 0 108 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.907 106.9 51.7 -62.6 -39.8 8.3 -13.4 33.0 74 74 A I H X S+ 0 0 99 -4,-1.5 4,-3.1 1,-0.2 5,-0.3 0.949 111.5 48.0 -61.3 -45.5 7.6 -15.7 36.0 75 75 A I H X S+ 0 0 26 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.937 112.5 47.5 -57.5 -50.8 5.5 -17.9 33.7 76 76 A L H < S+ 0 0 20 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.909 117.7 41.8 -61.3 -44.4 8.1 -18.1 31.0 77 77 A T H >< S+ 0 0 63 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.883 108.1 58.0 -71.9 -42.4 10.9 -18.8 33.4 78 78 A W H >< S+ 0 0 99 -4,-3.1 3,-2.4 1,-0.3 -1,-0.2 0.857 94.2 70.5 -51.9 -39.3 9.0 -21.4 35.6 79 79 A N T 3< S+ 0 0 48 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.765 102.3 42.8 -50.4 -29.0 8.5 -23.2 32.3 80 80 A E T < S+ 0 0 150 -3,-2.1 2,-0.3 -4,-0.3 -1,-0.3 -0.027 91.2 107.3-112.7 27.5 12.3 -24.0 32.5 81 81 A L < - 0 0 41 -3,-2.4 2,-0.1 1,-0.0 -3,-0.0 -0.810 66.4-120.6-102.0 150.9 12.6 -24.9 36.2 82 82 A N > - 0 0 81 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.290 34.6 -98.5 -73.4 167.6 13.1 -28.5 37.6 83 83 A E H > S+ 0 0 115 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.840 123.2 49.6 -60.1 -38.1 10.6 -30.1 40.1 84 84 A Q H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.952 114.9 42.6 -64.6 -49.4 12.8 -29.3 43.1 85 85 A E H > S+ 0 0 96 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.701 113.2 53.9 -76.3 -18.4 13.2 -25.6 42.1 86 86 A R H X S+ 0 0 54 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.954 113.9 40.5 -68.7 -56.0 9.5 -25.4 41.1 87 87 A K H X S+ 0 0 106 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.772 111.3 62.9 -63.1 -27.4 8.5 -26.7 44.6 88 88 A R H >X S+ 0 0 121 -4,-2.0 3,-1.2 2,-0.2 4,-0.7 0.994 110.7 33.6 -54.2 -66.7 11.2 -24.4 46.0 89 89 A I H 3X S+ 0 0 79 -4,-1.6 4,-1.6 1,-0.3 3,-0.2 0.741 107.2 73.6 -68.9 -25.3 9.6 -21.2 44.8 90 90 A N H 3X S+ 0 0 46 -4,-2.1 4,-1.3 1,-0.2 -1,-0.3 0.848 102.3 40.3 -49.3 -41.8 6.2 -22.7 45.4 91 91 A F H << S+ 0 0 142 -3,-1.2 4,-0.5 -4,-1.0 -1,-0.2 0.585 104.0 64.2 -97.7 -11.9 6.7 -22.3 49.1 92 92 A Y H X S+ 0 0 149 -4,-0.7 4,-0.6 -3,-0.2 -1,-0.2 0.843 115.8 36.0 -61.5 -39.0 8.4 -18.9 48.9 93 93 A I H < S+ 0 0 123 -4,-1.6 -2,-0.3 1,-0.2 -3,-0.1 0.765 105.8 67.1 -85.7 -30.5 4.9 -18.0 47.6 94 94 A R T < S+ 0 0 179 -4,-1.3 -1,-0.2 1,-0.2 -3,-0.2 0.611 101.6 50.2 -74.5 -10.9 2.8 -20.3 49.8 95 95 A K T 4 0 0 152 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.2 0.834 360.0 360.0 -86.0 -37.5 3.8 -18.3 52.9 96 96 A K < 0 0 180 -4,-0.6 -2,-0.1 -3,-0.1 -1,-0.1 0.382 360.0 360.0 31.7 360.0 2.9 -14.8 51.4