==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSLATION 05-MAR-02 1L4S . COMPND 2 MOLECULE: PROTEIN YFIA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.YE,A.SERGANOV,W.HU,D.J.PATEL . 112 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9125.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 54.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 14.3 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 . 2 1.8 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 . 3 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 26.8 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+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 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 2 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 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 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 T 0 0 135 0, 0.0 2,-0.2 0, 0.0 36,-0.1 0.000 360.0 360.0 360.0 -31.4 -32.0 -14.3 -14.7 2 2 A M + 0 0 36 34,-0.1 2,-0.5 33,-0.1 35,-0.2 -0.615 360.0 174.7-170.4 102.9 -29.4 -17.1 -15.3 3 3 A N E -a 37 0A 82 33,-1.1 35,-3.8 -2,-0.2 2,-0.5 -0.962 5.1-175.7-119.5 123.0 -29.7 -19.9 -17.8 4 4 A I E +a 38 0A 13 -2,-0.5 2,-0.3 33,-0.2 35,-0.2 -0.968 10.0 167.1-120.7 125.5 -26.8 -22.4 -18.5 5 5 A T E +a 39 0A 60 33,-2.8 35,-2.2 -2,-0.5 2,-0.3 -0.911 8.1 177.7-134.0 160.7 -27.0 -25.1 -21.1 6 6 A S E -a 40 0A 25 -2,-0.3 35,-0.2 33,-0.2 5,-0.1 -0.956 28.5-147.1-163.4 142.7 -24.6 -27.5 -22.8 7 7 A K S S+ 0 0 197 33,-0.8 3,-0.1 -2,-0.3 34,-0.1 -0.058 100.6 39.1-102.5 31.2 -24.7 -30.3 -25.4 8 8 A Q S S+ 0 0 126 1,-0.5 2,-0.2 32,-0.2 -1,-0.1 0.474 118.5 20.1-141.0 -48.0 -21.9 -32.3 -23.8 9 9 A M S S- 0 0 37 31,-0.3 -1,-0.5 1,-0.0 2,-0.2 -0.546 75.4-107.0-119.3-174.3 -22.2 -32.1 -20.0 10 10 A E - 0 0 148 -2,-0.2 2,-0.7 -3,-0.1 -5,-0.1 -0.693 33.4 -97.9-114.3 167.6 -24.9 -31.3 -17.4 11 11 A I - 0 0 65 -2,-0.2 -5,-0.0 -7,-0.1 -6,-0.0 -0.778 39.3-165.6 -91.2 115.6 -25.5 -28.3 -15.1 12 12 A T >> - 0 0 48 -2,-0.7 4,-2.4 1,-0.1 3,-0.6 -0.727 32.3-118.6 -99.7 149.3 -24.3 -28.8 -11.6 13 13 A P H 3> S+ 0 0 81 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.720 116.8 57.7 -56.4 -19.6 -25.2 -26.7 -8.5 14 14 A A H 3> S+ 0 0 51 2,-0.2 4,-2.5 3,-0.2 5,-0.1 0.898 108.3 42.2 -77.8 -41.6 -21.5 -25.9 -8.4 15 15 A I H <> S+ 0 0 7 -3,-0.6 4,-1.9 2,-0.2 5,-0.3 0.807 117.5 49.3 -73.2 -29.1 -21.4 -24.4 -11.9 16 16 A R H X S+ 0 0 115 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.924 114.3 43.4 -74.1 -45.7 -24.7 -22.7 -11.2 17 17 A Q H X S+ 0 0 136 -4,-2.2 4,-3.4 -5,-0.2 5,-0.2 0.873 112.4 55.1 -67.5 -37.4 -23.5 -21.3 -7.9 18 18 A H H X S+ 0 0 32 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.991 118.2 31.7 -59.2 -62.5 -20.2 -20.3 -9.4 19 19 A V H X S+ 0 0 2 -4,-1.9 4,-1.5 1,-0.2 3,-0.4 0.932 121.5 52.4 -60.7 -46.6 -21.7 -18.3 -12.3 20 20 A A H X S+ 0 0 32 -4,-3.0 4,-2.0 -5,-0.3 3,-0.4 0.899 105.1 54.6 -57.1 -43.9 -24.7 -17.3 -10.1 21 21 A D H X S+ 0 0 62 -4,-3.4 4,-0.9 1,-0.2 -1,-0.2 0.850 108.1 50.8 -59.7 -33.3 -22.3 -16.0 -7.3 22 22 A R H X S+ 0 0 95 -4,-1.4 4,-1.2 -3,-0.4 -1,-0.2 0.790 106.0 55.9 -74.7 -28.2 -20.6 -13.8 -9.9 23 23 A L H >< S+ 0 0 56 -4,-1.5 3,-0.8 -3,-0.4 -2,-0.2 0.965 107.5 46.0 -67.5 -52.8 -24.0 -12.4 -11.0 24 24 A A H 3< S+ 0 0 84 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.761 111.9 54.8 -60.5 -25.4 -25.0 -11.2 -7.6 25 25 A K H 3< S+ 0 0 130 -4,-0.9 2,-2.6 -5,-0.3 3,-0.4 0.772 86.7 81.6 -78.9 -28.3 -21.5 -9.8 -7.3 26 26 A L 4 + 0 0 136 -2,-2.6 3,-1.1 2,-0.2 -1,-0.2 0.955 66.5 54.1 -72.0 -52.5 -23.8 -5.0 -8.7 28 28 A K T 34 S+ 0 0 132 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.767 113.3 47.4 -52.3 -26.1 -22.0 -2.1 -10.3 29 29 A W T 34 S+ 0 0 17 -4,-0.1 3,-0.4 2,-0.0 -1,-0.3 0.710 83.1 112.5 -87.9 -25.6 -23.0 -3.7 -13.6 30 30 A Q << + 0 0 136 -3,-1.1 3,-0.1 -4,-0.9 -3,-0.0 -0.317 36.4 105.8 -54.4 114.4 -26.6 -4.3 -12.6 31 31 A T S S- 0 0 99 -2,-0.2 -1,-0.2 1,-0.1 2,-0.1 0.321 85.9 -17.7-159.4 -39.7 -28.6 -2.0 -14.8 32 32 A H + 0 0 38 -3,-0.4 -1,-0.1 23,-0.0 23,-0.1 -0.146 62.7 135.5-143.4-120.2 -30.4 -4.0 -17.5 33 33 A L - 0 0 59 1,-0.2 2,-0.5 -2,-0.1 22,-0.2 0.786 36.2-152.1 61.1 116.3 -29.9 -7.6 -18.9 34 34 A I - 0 0 82 20,-2.9 20,-0.4 1,-0.2 -1,-0.2 -0.900 65.7 -23.8-127.1 104.5 -33.2 -9.5 -19.4 35 35 A N S S- 0 0 117 -2,-0.5 -1,-0.2 18,-0.1 19,-0.2 0.998 77.9-153.2 61.3 74.5 -33.1 -13.3 -19.2 36 36 A P - 0 0 17 0, 0.0 -33,-1.1 0, 0.0 2,-0.4 -0.389 5.7-154.2 -76.9 155.0 -29.4 -14.1 -20.0 37 37 A H E -aB 3 52A 77 15,-2.3 15,-2.7 -35,-0.2 2,-0.4 -0.994 7.8-169.5-136.8 130.1 -28.3 -17.4 -21.5 38 38 A I E -aB 4 51A 8 -35,-3.8 -33,-2.8 -2,-0.4 2,-0.4 -0.962 5.1-162.6-121.5 134.6 -25.0 -19.2 -21.4 39 39 A I E -aB 5 50A 57 11,-3.5 11,-2.7 -2,-0.4 2,-0.5 -0.893 4.4-152.8-117.0 146.0 -23.9 -22.2 -23.4 40 40 A L E +aB 6 49A 2 -35,-2.2 -33,-0.8 -2,-0.4 -31,-0.3 -0.971 19.6 167.0-122.3 128.3 -21.0 -24.6 -22.8 41 41 A S E - B 0 48A 48 7,-3.6 7,-1.3 -2,-0.5 2,-0.3 -0.580 18.5-141.9-124.0-173.5 -19.2 -26.6 -25.5 42 42 A K E - B 0 47A 99 5,-0.3 5,-0.3 -2,-0.2 23,-0.0 -0.971 10.3-173.6-158.6 141.3 -16.1 -28.7 -25.8 43 43 A E E > - B 0 46A 103 3,-4.0 3,-3.0 -2,-0.3 -2,-0.0 -0.919 43.7-105.1-131.8 156.4 -13.3 -29.3 -28.3 44 44 A P T 3 S+ 0 0 143 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.753 124.2 53.5 -51.7 -24.4 -10.4 -31.7 -28.4 45 45 A Q T 3 S- 0 0 167 1,-0.2 2,-0.3 21,-0.0 20,-0.0 0.503 128.2 -70.4 -89.7 -6.8 -8.2 -28.7 -27.6 46 46 A G E < -B 43 0A 12 -3,-3.0 -3,-4.0 2,-0.0 2,-0.3 -0.971 65.4 -45.4 149.7-164.1 -10.3 -27.7 -24.6 47 47 A F E -B 42 0A 47 19,-1.6 2,-0.4 -2,-0.3 -5,-0.3 -0.767 39.7-155.9-108.2 152.6 -13.6 -26.3 -23.5 48 48 A V E -B 41 0A 10 -7,-1.3 -7,-3.6 -2,-0.3 2,-0.4 -0.968 3.7-166.1-127.5 142.0 -15.6 -23.3 -24.8 49 49 A A E -BC 40 64A 0 15,-1.9 15,-1.9 -2,-0.4 2,-0.3 -0.986 5.8-174.7-132.4 124.9 -18.2 -21.1 -23.2 50 50 A D E -BC 39 63A 53 -11,-2.7 -11,-3.5 -2,-0.4 2,-0.3 -0.879 2.1-174.2-117.7 149.5 -20.5 -18.7 -25.0 51 51 A A E -BC 38 62A 0 11,-2.6 11,-1.9 -2,-0.3 2,-0.4 -0.999 7.1-170.3-146.0 142.1 -23.0 -16.2 -23.5 52 52 A T E -BC 37 61A 57 -15,-2.7 -15,-2.3 -2,-0.3 2,-0.4 -0.998 4.9-174.2-134.3 134.0 -25.7 -13.9 -24.9 53 53 A I E - C 0 60A 3 7,-2.0 7,-2.1 -2,-0.4 2,-0.5 -0.993 12.0-150.2-132.5 133.3 -27.6 -11.2 -23.0 54 54 A N E + C 0 59A 86 -20,-0.4 -20,-2.9 -2,-0.4 5,-0.2 -0.859 21.0 176.8-103.0 130.9 -30.5 -9.0 -24.3 55 55 A T E > - C 0 58A 19 3,-2.8 3,-1.4 -2,-0.5 -23,-0.0 -0.843 44.3-109.5-128.6 165.7 -31.0 -5.5 -22.8 56 56 A P T 3 S+ 0 0 94 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.575 120.8 43.9 -69.9 -9.0 -33.3 -2.5 -23.4 57 57 A N T 3 S- 0 0 145 1,-0.4 2,-0.3 0, 0.0 -25,-0.0 0.067 129.7 -61.2-123.1 22.9 -30.4 -0.7 -24.9 58 58 A G E < -C 55 0A 36 -3,-1.4 -3,-2.8 2,-0.0 -1,-0.4 -0.865 60.0 -73.6 132.8-167.4 -28.9 -3.4 -27.1 59 59 A V E -C 54 0A 88 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.991 30.5-153.6-136.4 143.5 -27.3 -6.8 -26.8 60 60 A L E -C 53 0A 19 -7,-2.1 -7,-2.0 -2,-0.3 2,-0.3 -0.818 7.3-164.1-115.5 155.7 -24.0 -8.1 -25.6 61 61 A V E +C 52 0A 79 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.989 8.5 174.2-140.2 148.0 -21.9 -11.2 -26.5 62 62 A A E -C 51 0A 5 -11,-1.9 -11,-2.6 -2,-0.3 2,-0.3 -0.993 2.7-178.5-153.7 146.5 -19.0 -13.1 -24.9 63 63 A S E -C 50 0A 49 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.985 4.7-167.2-146.2 155.7 -17.1 -16.3 -25.6 64 64 A G E -C 49 0A 5 -15,-1.9 -15,-1.9 -2,-0.3 8,-0.1 -0.976 13.0-178.4-142.9 154.5 -14.2 -18.3 -24.1 65 65 A K + 0 0 150 -2,-0.3 -17,-0.2 -17,-0.2 2,-0.1 -0.106 28.0 150.6-147.6 42.9 -12.0 -21.2 -25.2 66 66 A H - 0 0 91 2,-0.2 -19,-1.6 1,-0.1 6,-0.2 -0.400 57.2-116.4 -76.1 155.0 -9.6 -22.0 -22.3 67 67 A E S S+ 0 0 142 -21,-0.2 2,-0.6 -2,-0.1 -1,-0.1 0.770 101.8 72.2 -61.0 -26.1 -8.4 -25.6 -21.8 68 68 A D S > S- 0 0 74 1,-0.1 4,-2.6 -22,-0.1 -2,-0.2 -0.838 75.9-147.0 -98.5 121.9 -10.1 -25.5 -18.4 69 69 A M H > S+ 0 0 25 -2,-0.6 4,-1.9 1,-0.2 5,-0.2 0.896 102.7 45.4 -48.3 -49.2 -14.0 -25.7 -18.5 70 70 A Y H > S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.868 110.9 53.5 -65.7 -37.6 -14.2 -23.5 -15.4 71 71 A T H > S+ 0 0 43 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.899 107.2 51.8 -64.8 -40.4 -11.6 -21.1 -16.7 72 72 A A H X S+ 0 0 1 -4,-2.6 4,-3.3 2,-0.2 -2,-0.2 0.941 110.9 46.5 -61.8 -48.3 -13.6 -20.6 -19.9 73 73 A I H X S+ 0 0 1 -4,-1.9 4,-2.1 1,-0.2 5,-0.2 0.918 115.3 46.9 -60.5 -43.0 -16.8 -19.9 -18.1 74 74 A N H X S+ 0 0 69 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.891 113.9 48.6 -65.2 -39.6 -14.9 -17.5 -15.8 75 75 A E H X S+ 0 0 85 -4,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.923 108.5 53.7 -66.6 -45.6 -13.3 -15.9 -18.9 76 76 A L H >X S+ 0 0 0 -4,-3.3 3,-1.6 1,-0.2 4,-1.4 0.973 110.8 44.0 -53.4 -61.1 -16.6 -15.5 -20.7 77 77 A I H 3X S+ 0 0 12 -4,-2.1 4,-2.7 1,-0.3 -1,-0.2 0.820 105.4 66.0 -55.4 -28.2 -18.3 -13.6 -17.9 78 78 A N H 3X S+ 0 0 53 -4,-1.3 4,-2.8 1,-0.2 -1,-0.3 0.893 102.2 47.0 -59.0 -38.0 -15.0 -11.7 -17.7 79 79 A K H S+ 0 0 191 -2,-0.3 3,-0.6 1,-0.0 -1,-0.1 0.675 79.3 71.9-109.6 -29.8 -31.1 25.4 -30.4 106 106 A V T 3 S+ 0 0 136 1,-0.3 2,-0.2 2,-0.1 3,-0.1 0.817 117.7 19.9 -56.8 -31.4 -32.7 27.1 -33.5 107 107 A E T 3 S+ 0 0 103 1,-0.1 -1,-0.3 2,-0.1 -3,-0.1 -0.704 94.3 92.8-144.1 87.5 -30.5 24.8 -35.6 108 108 A E S < S+ 0 0 85 -3,-0.6 -1,-0.1 -2,-0.2 -2,-0.1 0.052 87.0 37.3-166.3 35.6 -29.1 21.7 -33.9 109 109 A V S S+ 0 0 114 -3,-0.1 -2,-0.1 -4,-0.0 -3,-0.1 0.339 102.5 59.5-155.0 -46.1 -31.5 18.9 -34.6 110 110 A E S S+ 0 0 176 1,-0.2 -3,-0.1 0, 0.0 0, 0.0 0.973 130.2 11.3 -59.5 -58.0 -32.9 19.0 -38.1 111 111 A E 0 0 158 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.781 360.0 360.0 -90.9 -32.4 -29.6 18.8 -39.9 112 112 A E 0 0 154 0, 0.0 -4,-0.1 0, 0.0 0, 0.0 -0.344 360.0 360.0 -75.6 360.0 -27.5 17.9 -36.8