==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-JUN-11 2LF0 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN YIBL; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI; . AUTHOR B.WU,A.LEMAK,A.YEE,H.LEE,A.GUTMANAS,A.SEMESI,M.GARCIA,X.FANG . 120 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9678.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 69.2 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 . 9 7.5 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 . 4 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 47.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.7 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 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 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 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 200 0, 0.0 2,-2.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -37.6 -15.9 -2.2 -5.7 2 2 A K - 0 0 173 1,-0.2 4,-0.3 2,-0.1 2,-0.3 -0.242 360.0-148.1 74.8 -51.8 -13.6 0.1 -3.6 3 3 A E - 0 0 123 -2,-2.2 -1,-0.2 1,-0.2 0, 0.0 0.006 21.5-122.2 84.1 -27.1 -13.4 -2.4 -0.6 4 4 A V S >> S+ 0 0 90 -2,-0.3 3,-1.7 1,-0.1 4,-0.6 0.284 79.6 122.8 71.8 -9.3 -13.1 0.4 2.2 5 5 A E H >> + 0 0 116 1,-0.3 4,-1.3 2,-0.2 3,-1.1 0.831 63.8 64.1 -45.2 -46.1 -9.8 -1.3 3.3 6 6 A K H 3> S+ 0 0 148 -4,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.823 94.5 61.1 -49.1 -36.5 -7.9 2.0 2.7 7 7 A N H <> S+ 0 0 61 -3,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.830 101.5 53.3 -60.6 -36.4 -10.1 3.4 5.6 8 8 A E H - 0 0 41 -2,-0.6 4,-1.9 1,-0.1 8,-0.3 -0.565 25.6-125.5 -86.1 154.7 9.0 15.5 27.1 28 28 A L T 4 S+ 0 0 118 -2,-0.2 -1,-0.1 2,-0.2 8,-0.1 0.666 113.8 52.4 -68.0 -19.3 11.2 12.7 28.4 29 29 A V T 4 S+ 0 0 125 2,-0.1 3,-0.5 1,-0.1 -1,-0.2 0.900 116.7 33.9 -81.2 -46.7 12.2 15.1 31.2 30 30 A E T 4 S+ 0 0 146 1,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.709 131.2 33.7 -85.5 -22.3 8.6 16.0 32.4 31 31 A A X> + 0 0 13 -4,-1.9 2,-1.8 2,-0.1 4,-1.3 -0.490 62.0 157.7-134.5 62.2 7.1 12.6 31.7 32 32 A A T 45S+ 0 0 84 -3,-0.5 -4,-0.1 3,-0.2 -3,-0.1 -0.261 88.2 29.5 -80.4 51.8 9.9 10.0 32.4 33 33 A D T >5S+ 0 0 112 -2,-1.8 4,-2.4 0, 0.0 5,-0.2 -0.025 121.1 43.1-172.4 -81.6 7.0 7.5 32.8 34 34 A K H >5S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.910 119.7 46.2 -52.8 -47.6 4.0 8.5 30.6 35 35 A Y H X5S+ 0 0 62 -4,-1.3 4,-1.4 -8,-0.3 -1,-0.2 0.879 112.7 52.4 -61.8 -39.4 6.4 9.3 27.6 36 36 A A H >X S+ 0 0 114 -4,-2.6 4,-2.8 2,-0.2 3,-0.8 0.991 115.9 42.2 -64.0 -67.6 2.6 -5.8 15.3 49 49 A I H 3X S+ 0 0 51 -4,-2.7 4,-1.0 1,-0.3 -2,-0.2 0.529 119.2 48.3 -64.7 -3.5 2.0 -3.7 12.1 50 50 A A H 3< S+ 0 0 50 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.628 107.5 52.5-109.2 -30.0 5.5 -4.7 10.9 51 51 A R H >>S+ 0 0 72 -3,-0.3 4,-3.0 2,-0.2 3,-1.7 0.822 108.2 44.9 -89.0 -46.7 6.7 -8.4 6.9 55 55 A V H 3X5S+ 0 0 70 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.873 117.5 47.5 -44.0 -36.6 3.9 -10.8 5.8 56 56 A H H 3<5S+ 0 0 112 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 -0.038 116.2 42.7-104.7 31.5 3.1 -7.8 3.5 57 57 A S H X45S+ 0 0 81 -3,-1.7 3,-1.1 -5,-0.1 -2,-0.2 0.453 115.2 44.4-130.8 -52.6 6.9 -7.4 2.5 58 58 A Q H 3<5S+ 0 0 126 -4,-3.0 2,-0.4 1,-0.3 -3,-0.2 0.882 134.2 27.0 -54.7 -43.0 7.9 -11.0 1.9 59 59 A K T 3< - 0 0 52 1,-0.2 4,-1.8 -4,-0.1 5,-0.2 -0.892 67.4-101.1-149.8 176.7 1.2 -7.4 -2.0 62 62 A K H > S+ 0 0 147 -2,-0.3 4,-1.9 2,-0.2 -1,-0.2 1.000 122.1 32.6 -61.0 -70.5 -0.9 -10.2 -3.8 63 63 A E H > S+ 0 0 93 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.872 121.1 51.8 -50.5 -49.6 -0.5 -8.8 -7.4 64 64 A A H > S+ 0 0 6 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.959 107.9 49.1 -58.1 -58.2 3.0 -7.4 -6.7 65 65 A Q H X S+ 0 0 53 -4,-1.8 4,-1.6 1,-0.2 3,-0.2 0.873 114.6 46.2 -52.5 -40.9 4.5 -10.6 -5.2 66 66 A K H < S+ 0 0 103 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.871 107.8 57.1 -70.9 -38.0 3.2 -12.6 -8.3 67 67 A L H < S+ 0 0 11 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.794 107.3 50.3 -55.0 -29.5 4.5 -9.9 -10.7 68 68 A M H < S+ 0 0 99 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.878 114.8 40.6 -81.3 -38.1 8.0 -10.5 -9.1 69 69 A K S < S+ 0 0 152 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.181 89.2 137.2 -93.2 16.5 7.8 -14.4 -9.6 70 70 A M - 0 0 24 -3,-0.4 47,-0.1 -4,-0.1 3,-0.1 -0.190 50.4-141.2 -57.9 150.1 6.2 -14.0 -13.2 71 71 A P S S+ 0 0 60 0, 0.0 2,-0.5 0, 0.0 46,-0.2 0.974 85.7 32.9 -73.9 -68.3 7.5 -16.3 -16.0 72 72 A F E S+A 116 0A 104 44,-1.3 44,-2.4 47,-0.0 2,-0.3 -0.830 86.0 130.1-100.1 119.2 7.6 -14.0 -19.2 73 73 A Q E +A 115 0A 90 -2,-0.5 2,-0.3 42,-0.2 42,-0.2 -0.958 18.2 151.3-159.6 172.4 8.4 -10.3 -18.3 74 74 A R E -A 114 0A 79 40,-2.1 40,-3.1 -2,-0.3 2,-0.4 -0.952 49.0 -87.2-178.9-173.4 10.5 -7.1 -19.1 75 75 A A E -A 113 0A 49 38,-0.3 38,-0.3 -2,-0.3 2,-0.2 -0.999 57.8-113.7-118.6 126.9 10.6 -3.3 -19.0 76 76 A I - 0 0 1 36,-1.0 36,-0.2 -2,-0.4 2,-0.1 -0.384 20.5-130.6 -83.8 128.9 9.2 -2.1 -22.3 77 77 A T >> - 0 0 87 -2,-0.2 4,-1.4 1,-0.1 3,-0.9 -0.371 29.3-108.4 -65.6 150.4 11.3 -0.2 -24.9 78 78 A K H 3> S+ 0 0 164 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.699 120.7 65.4 -48.6 -24.3 10.0 3.1 -26.5 79 79 A K H 3> S+ 0 0 164 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.927 109.6 32.4 -66.6 -47.7 9.5 0.9 -29.6 80 80 A E H <4 S+ 0 0 54 -3,-0.9 -2,-0.2 2,-0.2 7,-0.2 0.538 113.9 65.5 -88.5 -6.4 6.8 -1.3 -27.9 81 81 A Q H >< S+ 0 0 65 -4,-1.4 3,-1.0 2,-0.2 -2,-0.2 0.851 103.1 44.9 -78.2 -38.8 5.7 1.9 -26.0 82 82 A A H 3< S+ 0 0 89 -4,-1.8 3,-0.3 1,-0.2 -2,-0.2 0.821 116.7 47.7 -69.7 -31.8 4.6 3.5 -29.3 83 83 A D T >X S+ 0 0 65 -4,-0.8 4,-2.4 1,-0.2 3,-0.7 -0.058 72.3 131.7-100.6 36.3 2.9 0.2 -30.1 84 84 A M H <> S+ 0 0 32 -3,-1.0 4,-2.6 1,-0.3 5,-0.2 0.826 71.9 53.5 -57.8 -32.2 1.2 -0.1 -26.7 85 85 A G H 3> S+ 0 0 63 -3,-0.3 4,-0.6 1,-0.2 -1,-0.3 0.858 118.8 32.0 -76.2 -34.4 -2.1 -0.9 -28.4 86 86 A K H <> S+ 0 0 101 -3,-0.7 4,-1.1 2,-0.1 -2,-0.2 0.637 118.6 60.6 -92.9 -15.2 -0.7 -3.8 -30.5 87 87 A L H X S+ 0 0 5 -4,-2.4 4,-1.2 -7,-0.2 -2,-0.2 0.973 108.3 38.1 -75.1 -48.1 1.8 -4.6 -27.7 88 88 A K H <>S+ 0 0 93 -4,-2.6 5,-2.0 1,-0.2 6,-0.8 0.714 114.8 52.3 -84.3 -24.4 -0.8 -5.3 -24.9 89 89 A K H ><5S+ 0 0 141 -4,-0.6 3,-0.7 -5,-0.2 -1,-0.2 0.845 105.3 52.6 -84.5 -38.3 -3.4 -7.2 -27.1 90 90 A S H 3<5S+ 0 0 74 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.1 0.911 105.4 54.7 -63.3 -48.0 -1.0 -9.8 -28.7 91 91 A V T 3<5S- 0 0 3 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.638 120.5-118.4 -54.9 -18.5 0.3 -10.8 -25.2 92 92 A R T < 5S- 0 0 179 -3,-0.7 -3,-0.2 -4,-0.1 -2,-0.1 0.938 86.0 -14.7 74.3 53.5 -3.5 -11.4 -24.6 93 93 A G S S- 0 0 64 -3,-0.2 4,-1.6 1,-0.1 5,-0.2 -0.508 93.0-110.9 -69.9 150.9 3.8 6.4 -10.3 102 102 A A H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.836 118.7 53.7 -51.3 -42.6 4.1 5.6 -6.5 103 103 A L H > S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 6,-0.2 0.934 113.2 44.2 -64.3 -44.0 3.8 1.8 -7.2 104 104 A G H 4>S+ 0 0 0 -6,-0.5 5,-0.5 1,-0.2 4,-0.3 0.745 113.5 50.9 -66.7 -24.8 6.7 2.1 -9.7 105 105 A R H <5S+ 0 0 182 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.840 114.6 43.3 -80.9 -31.1 8.7 4.3 -7.2 106 106 A E H <5S+ 0 0 147 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.893 110.8 50.5 -85.4 -42.6 8.2 1.9 -4.3 107 107 A M T <5S- 0 0 40 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.1 0.592 120.3-111.5 -74.7 -10.0 8.9 -1.5 -6.2 108 108 A G T 5 + 0 0 55 -4,-0.3 -3,-0.2 1,-0.3 2,-0.1 0.284 60.6 159.0 105.9 -5.1 12.1 0.4 -7.4 109 109 A L < + 0 0 37 -5,-0.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.294 19.2 173.3 -62.9 119.9 11.1 0.7 -11.1 110 110 A E S S+ 0 0 189 -2,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.350 71.7 47.3-100.4 0.6 13.1 3.5 -13.0 111 111 A E S S- 0 0 89 -7,-0.1 2,-0.3 -12,-0.1 -14,-0.1 -0.936 101.9 -85.3-140.0 154.0 11.6 2.4 -16.3 112 112 A M - 0 0 35 -2,-0.3 -36,-1.0 -36,-0.2 2,-0.3 -0.528 56.3-157.2 -61.2 122.0 8.1 1.4 -17.7 113 113 A T E -AB 75 97A 12 -16,-2.8 -16,-1.9 -2,-0.3 -38,-0.3 -0.704 15.9-167.5-107.0 149.1 7.7 -2.2 -16.8 114 114 A G E +AB 74 96A 0 -40,-3.1 -40,-2.1 -2,-0.3 2,-0.3 -0.949 5.5 178.6-130.2 169.2 5.7 -5.2 -18.1 115 115 A F E +AB 73 95A 18 -20,-2.1 -20,-2.1 -2,-0.3 2,-0.3 -0.974 8.1 157.9-159.6 139.1 4.8 -8.7 -16.9 116 116 A S E -A 72 0A 6 -44,-2.4 -44,-1.3 -2,-0.3 -22,-0.1 -0.989 48.2-128.2-157.5 174.7 2.7 -11.7 -18.0 117 117 A K S S+ 0 0 147 -2,-0.3 2,-0.3 -46,-0.2 -44,-0.1 0.382 97.7 68.9 -90.0 -4.1 2.0 -15.4 -18.0 118 118 A T S S- 0 0 35 -46,-0.2 -27,-0.1 -25,-0.1 -26,-0.0 -0.868 93.5 -94.7-124.1 151.1 2.1 -15.3 -21.8 119 119 A T 0 0 104 -2,-0.3 -2,-0.1 -29,-0.1 -1,-0.1 -0.224 360.0 360.0 -67.5 149.2 5.0 -14.6 -24.3 120 120 A F 0 0 73 -47,-0.1 -47,-0.1 -4,-0.1 -4,-0.1 -0.865 360.0 360.0-166.0 360.0 5.9 -11.2 -25.7