==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 05-DEC-11 2LML . COMPND 2 MOLECULE: PUTATIVE ACYL CARRIER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACTER METALLIREDUCENS; . AUTHOR T.A.RAMELOT,M.J.SMOLA,H.LEE,L.ZHAO,C.CICCOSANTI,E.L.FOOTE,K. . 87 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6069.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 57 65.5 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 . 8 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 42.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 1 0 0 0 0 0 0 0 1 0 1 0 1 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 0 181 0, 0.0 3,-0.2 0, 0.0 69,-0.0 0.000 360.0 360.0 360.0 85.6 -10.7 1.4 4.8 2 2 A P > + 0 0 91 0, 0.0 4,-1.6 0, 0.0 5,-0.1 -0.058 360.0 118.1 -94.4 33.9 -10.9 5.0 6.5 3 3 A T H > + 0 0 5 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.937 61.5 50.6 -76.9 -57.1 -7.7 5.9 4.7 4 4 A L H > S+ 0 0 42 1,-0.2 4,-1.8 -3,-0.2 18,-0.2 0.856 112.9 52.6 -50.7 -40.2 -8.4 8.8 2.2 5 5 A D H 4 S+ 0 0 134 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.947 115.1 39.0 -55.0 -53.8 -10.1 10.6 5.2 6 6 A A H X S+ 0 0 33 -4,-1.6 4,-0.5 1,-0.2 -2,-0.2 0.767 116.5 52.8 -69.8 -28.5 -6.9 10.1 7.4 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.752 88.7 76.5 -84.6 -28.2 -4.5 10.8 4.4 8 8 A T H X S+ 0 0 18 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.902 98.3 45.0 -55.8 -47.3 -6.0 14.2 3.3 9 9 A P H > S+ 0 0 76 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.855 114.2 52.8 -59.8 -33.6 -4.4 16.2 6.3 10 10 A I H X S+ 0 0 19 -4,-0.5 4,-2.5 -3,-0.2 -2,-0.2 0.947 113.0 40.3 -68.1 -49.8 -1.1 14.2 5.6 11 11 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.873 114.3 53.9 -69.5 -38.5 -0.9 15.1 1.8 12 12 A R H <>S+ 0 0 86 -4,-2.3 5,-2.3 -5,-0.3 -1,-0.2 0.801 112.8 46.0 -61.7 -31.6 -2.1 18.7 2.6 13 13 A Q H <5S+ 0 0 146 -4,-1.2 3,-0.5 3,-0.2 -2,-0.2 0.951 114.8 43.8 -75.8 -53.7 0.9 18.9 5.1 14 14 A V H <5S+ 0 0 38 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.934 123.2 35.9 -56.6 -53.9 3.6 17.4 2.8 15 15 A F T <5S- 0 0 26 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.425 108.6-129.4 -85.4 -1.7 2.7 19.4 -0.4 16 16 A D T 5 + 0 0 136 -3,-0.5 2,-0.3 -5,-0.2 -3,-0.2 0.961 60.2 123.0 52.0 75.0 1.8 22.4 1.8 17 17 A D < - 0 0 77 -5,-2.3 -1,-0.2 3,-0.1 -2,-0.1 -0.941 53.2-156.0-157.4 168.6 -1.7 23.2 0.5 18 18 A D S S+ 0 0 131 -2,-0.3 -6,-0.1 3,-0.0 -1,-0.1 0.552 91.2 60.0-127.1 -27.0 -5.4 23.6 1.5 19 19 A S S S+ 0 0 101 -7,-0.1 2,-0.6 2,-0.0 -7,-0.0 0.593 75.3 109.6 -86.1 -15.6 -7.3 22.9 -1.8 20 20 A I + 0 0 20 -8,-0.1 2,-0.4 -12,-0.1 -8,-0.1 -0.546 42.5 174.8 -66.2 112.0 -5.8 19.3 -2.1 21 21 A V - 0 0 92 -2,-0.6 2,-0.3 -10,-0.1 5,-0.0 -0.996 28.6-125.1-118.3 125.7 -8.8 16.9 -1.5 22 22 A L + 0 0 11 -2,-0.4 2,-0.3 -18,-0.2 -14,-0.1 -0.537 34.2 166.7 -80.0 135.2 -7.9 13.2 -2.0 23 23 A T > - 0 0 56 -2,-0.3 3,-0.9 4,-0.0 42,-0.4 -0.890 49.6-107.5-132.2 164.0 -9.8 11.0 -4.4 24 24 A R T 3 S+ 0 0 130 -2,-0.3 42,-1.0 1,-0.2 43,-0.3 0.652 120.2 51.6 -67.7 -15.5 -8.9 7.5 -5.7 25 25 A E T 3 S+ 0 0 149 40,-0.1 -1,-0.2 39,-0.1 2,-0.2 0.572 82.7 110.0 -97.0 -15.8 -8.2 9.0 -9.1 26 26 A T < + 0 0 16 -3,-0.9 39,-2.7 38,-0.1 40,-0.3 -0.460 43.3 162.0 -65.3 129.7 -5.8 11.8 -7.9 27 27 A S >> - 0 0 8 37,-0.2 4,-0.6 -2,-0.2 3,-0.6 -0.690 57.9 -84.8-132.3-176.3 -2.2 11.3 -8.9 28 28 A A G >4 S+ 0 0 45 35,-0.5 3,-0.6 1,-0.2 6,-0.3 0.818 126.3 62.6 -59.8 -32.8 1.1 13.2 -9.2 29 29 A N G 34 S+ 0 0 143 1,-0.2 -1,-0.2 3,-0.1 3,-0.1 0.754 102.5 49.9 -66.6 -26.2 -0.1 14.3 -12.7 30 30 A D G <4 S+ 0 0 97 -3,-0.6 2,-0.6 1,-0.2 -1,-0.2 0.683 107.4 61.6 -80.5 -21.6 -3.1 16.0 -11.0 31 31 A I X< - 0 0 20 -4,-0.6 3,-1.8 -3,-0.6 2,-1.3 -0.876 66.7-161.5-118.6 94.8 -0.7 17.9 -8.6 32 32 A D T 3 S+ 0 0 164 -2,-0.6 3,-0.1 1,-0.2 -3,-0.1 -0.685 91.7 51.6 -71.5 94.0 1.8 20.3 -10.2 33 33 A A T 3 S+ 0 0 60 -2,-1.3 2,-0.6 1,-0.3 -1,-0.2 -0.131 84.4 99.6 159.5 -41.8 4.0 20.3 -7.1 34 34 A W < + 0 0 22 -3,-1.8 -1,-0.3 -6,-0.3 2,-0.2 -0.663 47.1 142.5 -77.2 115.5 4.3 16.5 -6.7 35 35 A D > - 0 0 85 -2,-0.6 4,-1.9 -3,-0.1 5,-0.2 -0.682 66.8 -71.6-135.8-170.8 7.6 15.2 -8.1 36 36 A S H > S+ 0 0 106 -2,-0.2 4,-1.9 2,-0.2 5,-0.2 0.914 131.5 44.8 -51.5 -51.8 10.2 12.4 -7.1 37 37 A L H > S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.915 116.4 45.3 -64.2 -44.0 11.5 14.3 -4.0 38 38 A S H > S+ 0 0 24 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.735 109.8 56.3 -73.3 -27.0 8.0 15.3 -2.8 39 39 A H H X S+ 0 0 48 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.867 109.0 46.0 -68.5 -40.9 6.8 11.6 -3.5 40 40 A M H X S+ 0 0 103 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.876 111.2 53.1 -68.4 -38.2 9.6 10.4 -1.1 41 41 A N H X S+ 0 0 68 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.870 109.6 50.0 -60.6 -40.0 8.6 13.2 1.4 42 42 A L H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.942 112.4 44.6 -64.3 -51.2 5.0 11.8 1.1 43 43 A I H X S+ 0 0 13 -4,-2.2 4,-2.1 1,-0.2 3,-0.3 0.918 111.3 52.5 -64.7 -43.5 6.0 8.1 1.8 44 44 A V H X S+ 0 0 71 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.774 105.9 56.3 -66.6 -26.8 8.4 9.0 4.7 45 45 A S H X S+ 0 0 26 -4,-1.2 4,-2.4 -3,-0.2 5,-0.3 0.877 108.9 45.7 -65.3 -40.3 5.5 10.9 6.3 46 46 A L H X S+ 0 0 0 -4,-1.4 4,-1.4 -3,-0.3 6,-1.3 0.856 110.2 56.1 -70.0 -34.3 3.4 7.7 6.2 47 47 A E H < S+ 0 0 35 -4,-2.1 4,-0.3 4,-0.2 -2,-0.2 0.909 117.3 32.6 -60.8 -49.5 6.5 5.8 7.6 48 48 A V H < S+ 0 0 65 -4,-1.9 39,-0.3 3,-0.1 -2,-0.2 0.922 124.2 42.7 -76.7 -46.8 6.7 8.0 10.7 49 49 A H H < S+ 0 0 108 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.1 0.965 130.5 21.5 -68.0 -57.6 3.0 8.8 11.2 50 50 A Y S < S- 0 0 47 -4,-1.4 -1,-0.2 -5,-0.3 -3,-0.2 0.487 97.4-129.4 -93.0 -5.8 1.3 5.4 10.7 51 51 A K + 0 0 65 -5,-0.4 2,-0.2 -4,-0.3 -4,-0.2 0.601 59.6 148.0 66.6 19.8 4.5 3.4 11.3 52 52 A I - 0 0 0 -6,-1.3 2,-0.5 1,-0.0 -1,-0.2 -0.593 42.9-136.3-100.3 142.3 3.8 1.6 8.0 53 53 A K - 0 0 136 -2,-0.2 2,-0.4 -3,-0.1 -9,-0.0 -0.846 13.8-166.7-102.6 125.7 6.4 0.3 5.6 54 54 A F - 0 0 21 -2,-0.5 2,-0.3 -11,-0.1 -7,-0.0 -0.921 10.8-147.5-108.4 134.8 6.2 0.7 1.7 55 55 A A >> - 0 0 52 -2,-0.4 4,-1.4 1,-0.1 3,-1.2 -0.780 23.2-122.8 -95.1 146.6 8.5 -1.3 -0.6 56 56 A L H 3> S+ 0 0 113 -2,-0.3 4,-1.6 1,-0.3 5,-0.1 0.796 115.3 62.7 -60.6 -27.9 9.7 0.2 -3.9 57 57 A G H 34 S+ 0 0 52 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.832 105.2 44.9 -61.2 -35.0 8.0 -2.8 -5.6 58 58 A E H X4 S+ 0 0 52 -3,-1.2 3,-0.8 2,-0.2 4,-0.5 0.749 104.8 61.7 -80.0 -28.0 4.7 -1.5 -4.2 59 59 A L H >< S+ 0 0 22 -4,-1.4 3,-0.7 1,-0.2 -2,-0.2 0.838 95.9 60.9 -63.0 -35.2 5.6 2.0 -5.3 60 60 A Q T 3< S+ 0 0 151 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.730 109.1 43.6 -57.7 -24.7 5.6 0.5 -8.9 61 61 A K T < S+ 0 0 145 -3,-0.8 2,-1.4 -4,-0.2 3,-0.3 0.515 91.8 91.9 -96.8 -11.8 1.9 -0.2 -8.0 62 62 A L < + 0 0 12 -3,-0.7 -1,-0.1 -4,-0.5 3,-0.1 -0.643 37.8 139.4 -90.7 78.7 1.3 3.3 -6.5 63 63 A K S S+ 0 0 150 -2,-1.4 -35,-0.5 1,-0.1 2,-0.2 0.800 71.4 16.9 -86.8 -33.4 -0.0 5.3 -9.6 64 64 A N S >> S- 0 0 37 -3,-0.3 4,-1.1 -37,-0.2 3,-0.5 -0.799 82.4-103.2-133.6 170.5 -2.8 7.2 -7.6 65 65 A V H 3> S+ 0 0 0 -39,-2.7 4,-1.9 -42,-0.4 -41,-0.2 0.634 119.9 66.3 -69.4 -17.3 -3.8 8.1 -4.0 66 66 A G H 3> S+ 0 0 1 -42,-1.0 4,-1.7 -40,-0.3 -1,-0.2 0.861 98.9 49.9 -68.3 -37.6 -6.4 5.3 -4.5 67 67 A D H <> S+ 0 0 45 -3,-0.5 4,-2.7 -43,-0.3 -2,-0.2 0.838 110.6 50.1 -66.0 -37.7 -3.5 2.8 -4.6 68 68 A L H X S+ 0 0 2 -4,-1.1 4,-2.8 2,-0.2 5,-0.4 0.870 105.2 57.2 -64.3 -38.9 -2.2 4.5 -1.4 69 69 A A H X S+ 0 0 3 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.912 113.8 39.8 -59.1 -42.0 -5.8 4.1 0.1 70 70 A D H X S+ 0 0 60 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.980 119.9 43.8 -64.4 -58.0 -5.4 0.3 -0.5 71 71 A L H X S+ 0 0 27 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.905 113.2 49.0 -61.5 -55.5 -1.7 0.1 0.5 72 72 A V H X S+ 0 0 1 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.905 114.4 47.7 -48.7 -47.2 -1.9 2.3 3.7 73 73 A D H X S+ 0 0 35 -4,-1.3 4,-1.6 -5,-0.4 -1,-0.2 0.834 109.7 52.1 -67.9 -34.8 -5.0 0.2 4.8 74 74 A K H X S+ 0 0 131 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.862 111.8 46.9 -68.3 -34.9 -3.2 -3.2 4.1 75 75 A K H < S+ 0 0 39 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.840 110.1 52.0 -72.9 -37.3 -0.2 -2.0 6.2 76 76 A L H X S+ 0 0 43 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.791 105.9 55.5 -67.9 -29.9 -2.7 -0.9 8.9 77 77 A A H X S+ 0 0 43 -4,-1.6 4,-1.1 1,-0.2 3,-0.5 0.865 104.8 52.3 -66.5 -37.3 -4.1 -4.4 8.7 78 78 A R H < S+ 0 0 159 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.620 103.0 60.0 -71.7 -17.0 -0.5 -5.6 9.4 79 79 A K H 4 S+ 0 0 70 -4,-0.4 4,-0.3 -3,-0.2 -1,-0.2 0.696 98.9 54.5 -80.6 -25.9 -0.7 -3.3 12.4 80 80 A L H < S+ 0 0 124 -4,-0.8 2,-0.7 -3,-0.5 -2,-0.2 0.804 91.0 83.8 -70.4 -33.1 -3.7 -5.3 13.7 81 81 A E S < S- 0 0 102 -4,-1.1 2,-1.3 1,-0.1 0, 0.0 -0.687 112.0-105.1 -66.8 110.1 -1.2 -8.2 13.3 82 82 A H S S+ 0 0 181 -2,-0.7 2,-0.2 1,-0.1 -2,-0.1 -0.203 84.8 116.3 -62.0 81.8 0.5 -7.6 16.8 83 83 A H + 0 0 155 -2,-1.3 2,-0.5 -4,-0.3 -2,-0.1 -0.741 39.0 173.3-142.0 82.5 3.8 -6.0 15.8 84 84 A H + 0 0 174 -2,-0.2 2,-0.3 -4,-0.1 -33,-0.1 -0.899 7.8 154.1-104.2 121.7 3.7 -2.4 17.3 85 85 A H - 0 0 131 -2,-0.5 -2,-0.0 -34,-0.1 0, 0.0 -0.966 30.7-134.9-146.4 131.5 6.7 -0.1 17.2 86 86 A H 0 0 127 -2,-0.3 -37,-0.1 1,-0.1 -36,-0.1 -0.115 360.0 360.0 -79.7 174.4 6.7 3.7 17.3 87 87 A H 0 0 124 -39,-0.3 -1,-0.1 -38,-0.1 -39,-0.1 -0.032 360.0 360.0-138.1 360.0 8.6 6.4 15.2