==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 10-AUG-10 2L22 . COMPND 2 MOLECULE: MUPIROCIN DIDOMAIN ACYL CARRIER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR X.DONG,C.WILLIAMS,M.P.CRUMP,P.WATTANA-AMORN . 183 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13528.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 63.4 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 . 2 1.1 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 . 1 0.5 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 . 10 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 2 0 0 0 0 1 0 0 1 2 1 0 0 0 1 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 . 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 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 V 0 0 157 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -76.8 -30.2 13.8 8.2 2 2 A A > - 0 0 58 1,-0.0 3,-1.8 0, 0.0 4,-0.2 -0.944 360.0 -66.9 175.2-175.3 -29.8 10.7 10.4 3 3 A D T > S+ 0 0 147 1,-0.3 3,-0.7 -2,-0.3 4,-0.4 0.711 124.6 71.6 -67.1 -18.7 -29.1 7.0 10.3 4 4 A D T 3> S+ 0 0 51 1,-0.2 4,-3.4 2,-0.2 -1,-0.3 0.610 71.9 88.4 -72.8 -11.3 -32.5 6.8 8.6 5 5 A E H <> S+ 0 0 110 -3,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.895 84.1 54.1 -57.2 -42.4 -31.0 8.4 5.4 6 6 A C H <> S+ 0 0 45 -3,-0.7 4,-1.0 -4,-0.2 -1,-0.2 0.910 116.3 38.1 -56.3 -44.1 -30.1 5.0 4.1 7 7 A A H > S+ 0 0 7 -4,-0.4 4,-2.7 -3,-0.3 -2,-0.2 0.867 113.6 55.3 -77.5 -37.8 -33.7 3.9 4.5 8 8 A Q H X S+ 0 0 55 -4,-3.4 4,-2.4 2,-0.2 -2,-0.2 0.897 104.5 54.6 -62.5 -41.0 -35.2 7.2 3.4 9 9 A F H X S+ 0 0 88 -4,-2.9 4,-1.4 -5,-0.2 -1,-0.2 0.881 112.7 42.8 -60.7 -38.3 -33.2 7.1 0.2 10 10 A L H X S+ 0 0 7 -4,-1.0 4,-1.8 -5,-0.2 -2,-0.2 0.870 112.8 52.4 -75.4 -37.6 -34.8 3.6 -0.5 11 11 A R H X S+ 0 0 39 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.829 104.2 60.1 -64.2 -32.4 -38.2 4.9 0.6 12 12 A Q H X S+ 0 0 86 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.931 108.6 40.3 -61.8 -48.7 -37.7 7.8 -1.8 13 13 A S H X S+ 0 0 16 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.838 114.8 54.1 -72.5 -30.5 -37.4 5.5 -4.8 14 14 A L H >X S+ 0 0 3 -4,-1.8 4,-1.2 1,-0.2 3,-0.7 0.972 112.7 41.8 -66.3 -52.2 -40.2 3.3 -3.5 15 15 A A H 3<>S+ 0 0 5 -4,-3.0 5,-3.1 1,-0.3 4,-0.5 0.771 108.5 61.9 -67.6 -25.7 -42.6 6.2 -3.1 16 16 A A H 3<5S+ 0 0 46 -4,-1.6 -1,-0.3 3,-0.2 -2,-0.2 0.817 101.9 51.2 -69.4 -31.0 -41.4 7.5 -6.5 17 17 A M H <<5S+ 0 0 92 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.802 114.0 43.6 -74.6 -28.4 -42.7 4.3 -8.1 18 18 A L T <5S- 0 0 69 -4,-1.2 -2,-0.2 2,-0.1 -1,-0.2 0.509 110.8-127.6 -88.4 -8.2 -46.0 4.9 -6.3 19 19 A Y T 5 + 0 0 195 -4,-0.5 2,-0.3 1,-0.2 -3,-0.2 0.903 67.0 129.7 56.5 46.9 -45.8 8.6 -7.3 20 20 A C < - 0 0 53 -5,-3.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.782 68.2 -97.6-124.4 164.1 -46.3 9.5 -3.7 21 21 A E > - 0 0 128 -2,-0.3 3,-0.7 1,-0.1 -9,-0.0 -0.754 25.0-143.3 -88.0 126.6 -44.6 11.7 -1.3 22 22 A P T 3 S+ 0 0 22 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.539 93.6 71.3 -70.5 -8.4 -42.2 9.7 1.0 23 23 A G T 3 S+ 0 0 53 1,-0.2 2,-1.7 -11,-0.0 -11,-0.0 0.914 88.2 62.3 -71.6 -43.5 -43.0 11.9 3.9 24 24 A Q S < S+ 0 0 161 -3,-0.7 2,-0.3 2,-0.0 -1,-0.2 -0.619 84.6 128.8 -83.4 84.0 -46.5 10.4 4.3 25 25 A I - 0 0 59 -2,-1.7 2,-0.6 -3,-0.1 3,-0.0 -0.977 58.6-136.0-142.1 149.0 -45.3 6.9 5.0 26 26 A R > - 0 0 181 -2,-0.3 3,-1.8 1,-0.1 -2,-0.0 -0.953 16.6-151.8-101.8 120.2 -45.8 4.2 7.5 27 27 A D T 3 S+ 0 0 86 -2,-0.6 41,-0.9 1,-0.3 -1,-0.1 0.703 96.7 53.6 -67.8 -17.5 -42.4 2.7 8.4 28 28 A G T 3 S+ 0 0 32 39,-0.1 -1,-0.3 40,-0.1 2,-0.1 0.271 78.7 130.8 -98.4 7.4 -44.0 -0.6 9.1 29 29 A S < - 0 0 16 -3,-1.8 38,-0.9 1,-0.1 2,-0.3 -0.412 58.4-125.5 -66.6 133.3 -45.8 -0.8 5.8 30 30 A R B >> -A 66 0A 138 36,-0.2 4,-1.7 -2,-0.1 3,-1.7 -0.643 14.7-122.3 -82.8 139.1 -45.3 -4.1 4.1 31 31 A F H 3>>S+ 0 0 6 34,-1.7 5,-2.2 -2,-0.3 4,-1.4 0.864 113.0 56.7 -47.3 -43.1 -43.9 -4.1 0.5 32 32 A L H 345S+ 0 0 140 1,-0.2 -1,-0.3 2,-0.2 5,-0.0 0.794 106.3 50.0 -60.5 -32.2 -46.9 -6.0 -0.7 33 33 A E H <45S+ 0 0 147 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.896 109.2 51.2 -72.6 -41.6 -49.2 -3.2 0.6 34 34 A L H <5S- 0 0 29 -4,-1.7 -2,-0.2 2,-0.1 -1,-0.2 0.694 116.6-117.4 -71.7 -21.1 -47.2 -0.6 -1.0 35 35 A G T <5 + 0 0 29 -4,-1.4 2,-1.8 -5,-0.3 -3,-0.2 0.788 54.4 159.7 90.3 29.1 -47.4 -2.5 -4.3 36 36 A L < - 0 0 12 -5,-2.2 -1,-0.2 4,-0.1 -2,-0.1 -0.661 28.3-161.5 -84.8 85.4 -43.8 -3.2 -4.8 37 37 A D >> - 0 0 103 -2,-1.8 4,-3.3 -3,-0.1 3,-0.6 -0.324 31.8-102.6 -68.7 154.6 -44.5 -6.1 -7.2 38 38 A S H 3> S+ 0 0 108 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.838 122.2 53.1 -49.6 -41.5 -41.7 -8.6 -7.9 39 39 A V H 3> S+ 0 0 116 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.933 116.8 37.5 -58.4 -48.5 -41.0 -7.0 -11.3 40 40 A I H <> S+ 0 0 48 -3,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.870 113.2 58.6 -73.3 -36.0 -40.5 -3.6 -9.7 41 41 A A H X S+ 0 0 11 -4,-3.3 4,-2.9 2,-0.2 -2,-0.2 0.903 104.5 50.5 -59.4 -44.3 -38.9 -5.1 -6.7 42 42 A A H X S+ 0 0 49 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.931 111.4 48.2 -59.9 -46.4 -36.2 -6.6 -8.8 43 43 A Q H X S+ 0 0 137 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.904 112.4 49.1 -59.3 -44.6 -35.6 -3.2 -10.5 44 44 A W H X S+ 0 0 8 -4,-2.7 4,-1.9 2,-0.2 3,-0.2 0.924 110.1 51.3 -60.1 -48.2 -35.4 -1.6 -7.1 45 45 A I H X S+ 0 0 15 -4,-2.9 4,-2.8 1,-0.2 11,-0.2 0.918 107.6 52.5 -56.9 -45.7 -33.0 -4.2 -5.9 46 46 A R H X S+ 0 0 155 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.839 107.8 52.4 -62.8 -31.1 -30.7 -3.7 -8.9 47 47 A E H X S+ 0 0 84 -4,-1.5 4,-2.8 -3,-0.2 5,-0.3 0.884 109.4 48.5 -72.1 -38.1 -30.7 0.1 -8.1 48 48 A I H X S+ 0 0 3 -4,-1.9 4,-2.8 2,-0.2 5,-0.5 0.964 110.9 51.7 -61.7 -50.8 -29.7 -0.7 -4.5 49 49 A N H <>S+ 0 0 20 -4,-2.8 5,-1.3 1,-0.2 4,-0.5 0.840 116.8 39.2 -54.6 -39.0 -26.9 -3.0 -5.8 50 50 A K H <5S+ 0 0 173 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.862 121.0 39.5 -85.9 -37.3 -25.6 -0.3 -8.1 51 51 A H H <5S+ 0 0 137 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.755 125.3 34.8 -87.6 -24.5 -25.9 2.9 -5.9 52 52 A Y T <5S- 0 0 65 -4,-2.8 -3,-0.2 -5,-0.3 -1,-0.2 0.558 106.4-125.4-101.9 -10.4 -24.9 1.4 -2.6 53 53 A Q T 5 + 0 0 118 -5,-0.5 26,-0.5 -4,-0.5 2,-0.3 0.993 68.4 100.8 63.6 70.7 -22.3 -1.0 -4.2 54 54 A L < - 0 0 11 -5,-1.3 2,-0.5 -6,-0.1 -1,-0.2 -0.923 69.9-110.6-161.1 174.7 -23.3 -4.4 -2.8 55 55 A K - 0 0 160 22,-0.3 -9,-0.1 -2,-0.3 -10,-0.0 -0.920 25.6-151.1-124.7 105.1 -25.2 -7.4 -4.0 56 56 A I - 0 0 15 -2,-0.5 2,-0.5 -11,-0.2 18,-0.1 -0.603 17.1-129.9 -72.5 124.2 -28.7 -8.1 -2.4 57 57 A P > - 0 0 49 0, 0.0 3,-1.7 0, 0.0 -1,-0.0 -0.708 27.9-123.9 -68.0 126.5 -29.7 -11.8 -2.2 58 58 A A T 3 S+ 0 0 91 -2,-0.5 4,-0.3 1,-0.3 3,-0.2 0.398 102.2 73.5 -63.9 2.2 -33.2 -11.6 -3.7 59 59 A D T 3> + 0 0 71 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.298 69.0 95.8 -97.8 11.0 -34.8 -13.2 -0.7 60 60 A G H <> S+ 0 0 0 -3,-1.7 4,-3.4 2,-0.2 3,-0.3 0.974 88.4 40.4 -60.5 -55.9 -34.3 -10.1 1.4 61 61 A I H 4 S+ 0 0 37 1,-0.2 -1,-0.2 2,-0.2 -30,-0.1 0.789 114.6 56.3 -62.4 -29.0 -37.9 -8.7 0.7 62 62 A Y H 4 S+ 0 0 204 -4,-0.3 -1,-0.2 1,-0.1 -2,-0.2 0.862 115.3 35.4 -72.4 -36.6 -39.1 -12.2 1.1 63 63 A T H < S+ 0 0 73 -4,-2.0 -2,-0.2 -3,-0.3 -3,-0.2 0.877 124.7 41.9 -85.0 -41.0 -37.7 -12.5 4.6 64 64 A Y < + 0 0 39 -4,-3.4 -1,-0.3 -5,-0.2 -33,-0.1 -0.890 60.6 178.1-111.9 102.4 -38.2 -8.9 5.6 65 65 A P + 0 0 40 0, 0.0 -34,-1.7 0, 0.0 2,-0.5 0.420 67.2 74.6 -83.5 4.1 -41.7 -7.7 4.5 66 66 A V B > S-A 30 0A 35 -36,-0.2 4,-2.3 1,-0.1 3,-0.4 -0.978 74.6-145.7-123.5 120.9 -41.1 -4.3 6.2 67 67 A F H > S+ 0 0 12 -38,-0.9 4,-0.6 -2,-0.5 -1,-0.1 0.786 99.8 56.7 -59.2 -32.5 -38.7 -1.9 4.5 68 68 A K H >4 S+ 0 0 91 -41,-0.9 3,-0.9 -39,-0.2 -1,-0.2 0.945 112.6 40.2 -62.5 -46.3 -37.4 -0.6 7.8 69 69 A A H >4 S+ 0 0 43 -3,-0.4 3,-2.2 1,-0.2 4,-0.4 0.832 102.3 72.8 -71.7 -32.0 -36.4 -4.1 8.9 70 70 A F H >X S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.3 4,-1.4 0.726 77.6 76.9 -56.8 -24.3 -35.1 -4.9 5.4 71 71 A T H S+ 0 0 133 -3,-2.2 4,-0.6 1,-0.2 -1,-0.3 0.820 105.9 43.3 -65.6 -29.2 -30.6 -5.4 8.2 73 73 A W H <4 S+ 0 0 51 -3,-1.6 4,-0.3 -4,-0.4 -1,-0.2 0.740 118.7 44.3 -87.3 -24.6 -30.4 -7.3 5.0 74 74 A V H >< S+ 0 0 3 -4,-1.4 3,-1.8 2,-0.1 4,-0.3 0.954 111.8 47.9 -84.0 -54.0 -29.1 -4.4 3.0 75 75 A G H >< S+ 0 0 40 -4,-3.3 3,-0.9 1,-0.3 -3,-0.2 0.715 103.4 62.9 -63.8 -22.8 -26.5 -3.0 5.4 76 76 A T T 3< S+ 0 0 98 -4,-0.6 -1,-0.3 -5,-0.3 -2,-0.1 0.747 93.9 63.5 -75.8 -17.8 -25.0 -6.4 6.1 77 77 A Q T < S+ 0 0 49 -3,-1.8 2,-0.3 -4,-0.3 -22,-0.3 0.553 71.9 118.6 -84.8 -7.8 -24.0 -6.7 2.4 78 78 A L S < S- 0 0 92 -3,-0.9 -24,-0.1 -4,-0.3 -25,-0.1 -0.467 71.4-122.3 -63.2 118.5 -21.6 -3.7 2.7 79 79 A Q - 0 0 66 -26,-0.5 2,-1.1 -2,-0.3 3,-0.3 -0.486 7.0-142.5 -66.4 126.2 -18.2 -5.0 1.9 80 80 A P S S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.228 92.6 71.5 -81.5 45.4 -15.7 -4.5 4.7 81 81 A T + 0 0 87 -2,-1.1 -2,-0.1 2,-0.1 -3,-0.0 -0.289 61.5 103.9-152.6 47.3 -13.0 -3.8 2.0 82 82 A Q S S+ 0 0 98 -3,-0.3 3,-0.2 -4,-0.1 -3,-0.0 0.705 88.7 29.6-103.7 -30.2 -14.1 -0.4 0.7 83 83 A A S S+ 0 0 96 1,-0.3 2,-1.3 3,-0.0 -2,-0.1 0.902 121.5 43.4 -94.4 -61.6 -11.5 1.8 2.3 84 84 A T S S+ 0 0 134 1,-0.2 -1,-0.3 -4,-0.1 -2,-0.0 -0.707 75.2 116.7 -90.9 89.8 -8.4 -0.3 2.8 85 85 A A + 0 0 61 -2,-1.3 -1,-0.2 -3,-0.2 -4,-0.0 -0.039 28.5 133.7-146.6 35.8 -8.2 -2.1 -0.6 86 86 A A - 0 0 67 1,-0.2 3,-0.1 -3,-0.0 -3,-0.0 -0.822 33.3-169.7 -96.2 120.0 -5.0 -1.0 -2.2 87 87 A P S S+ 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.808 80.1 15.2 -74.9 -28.8 -2.8 -3.8 -3.7 88 88 A V + 0 0 61 1,-0.1 6,-0.1 6,-0.0 0, 0.0 -0.994 53.7 174.7-146.2 139.1 0.1 -1.4 -4.2 89 89 A Q S S- 0 0 184 -2,-0.3 -1,-0.1 -3,-0.1 0, 0.0 0.718 94.2 -14.5-110.7 -52.1 0.9 2.0 -2.8 90 90 A R S S+ 0 0 234 3,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.169 103.4 130.3-129.9 10.9 4.4 2.8 -4.0 91 91 A E - 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