==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/TRANSPORT PROTEIN 17-MAR-06 2GDX . COMPND 2 MOLECULE: TYROCIDINE SYNTHETASE III; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACILLUS PARABREVIS; . AUTHOR A.KOGLIN,F.LOEHR,V.V.ROGOV,M.A.MARAHIEL,F.BERNHARD,V.DOETSCH . 85 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6024.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 50.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.4 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 . 1 1.2 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 . 6 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 5.9 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 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 0 190 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 89.2 -1.5 -7.6 -6.2 2 2 A G + 0 0 60 1,-0.2 0, 0.0 35,-0.0 0, 0.0 0.745 360.0 154.5 54.8 21.9 -3.2 -4.2 -6.3 3 3 A V + 0 0 62 34,-0.1 3,-0.2 2,-0.0 -1,-0.2 0.678 30.8 125.6 -52.8 -17.6 -5.9 -5.9 -4.3 4 4 A T S S- 0 0 95 1,-0.2 27,-0.1 26,-0.1 26,-0.1 0.007 83.8 -66.6 -42.5 149.1 -6.6 -2.4 -3.1 5 5 A E - 0 0 127 25,-0.2 2,-0.4 1,-0.1 27,-0.2 -0.164 58.0-133.4 -44.5 118.3 -10.2 -1.1 -3.5 6 6 A A - 0 0 16 25,-1.2 3,-0.4 -3,-0.2 -1,-0.1 -0.655 8.3-152.1 -82.9 130.1 -10.8 -0.9 -7.3 7 7 A Q S S+ 0 0 182 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.139 86.6 76.7 -85.1 20.7 -12.4 2.3 -8.5 8 8 A Y + 0 0 135 1,-0.1 26,-1.3 0, 0.0 -1,-0.2 -0.280 46.7 124.7-125.0 46.0 -13.8 0.3 -11.4 9 9 A V + 0 0 79 -3,-0.4 -1,-0.1 24,-0.2 -2,-0.1 0.410 35.7 127.6 -84.5 2.9 -16.6 -1.6 -9.8 10 10 A A - 0 0 70 -3,-0.1 2,-0.2 24,-0.0 24,-0.1 -0.478 46.5-159.2 -65.1 110.3 -19.0 -0.2 -12.4 11 11 A P - 0 0 56 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.535 18.1-149.5 -91.0 158.9 -20.9 -3.2 -13.9 12 12 A T S S+ 0 0 117 1,-0.2 2,-0.3 -2,-0.2 -2,-0.0 0.860 80.5 29.0 -92.2 -44.2 -22.7 -3.3 -17.2 13 13 A N S >> S- 0 0 66 1,-0.1 4,-1.8 0, 0.0 3,-0.7 -0.839 80.3-115.8-119.0 156.4 -25.4 -5.8 -16.4 14 14 A A H 3> S+ 0 0 72 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.796 115.3 61.5 -57.4 -29.5 -27.2 -6.7 -13.2 15 15 A V H 3> S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 104.9 45.4 -64.9 -41.9 -25.7 -10.2 -13.4 16 16 A E H <> S+ 0 0 1 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.871 112.0 52.2 -69.2 -38.4 -22.1 -8.8 -13.2 17 17 A S H X S+ 0 0 38 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.899 112.6 44.9 -64.5 -42.0 -23.1 -6.5 -10.3 18 18 A K H X S+ 0 0 139 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.936 114.3 47.4 -68.2 -48.8 -24.6 -9.4 -8.3 19 19 A L H X S+ 0 0 35 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.925 114.9 46.2 -58.8 -47.2 -21.7 -11.8 -9.0 20 20 A A H X S+ 0 0 18 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.849 111.9 53.0 -64.9 -35.2 -19.1 -9.2 -8.1 21 21 A E H < S+ 0 0 111 -4,-1.7 4,-0.2 -5,-0.2 -2,-0.2 0.954 113.1 40.5 -66.1 -51.7 -21.0 -8.2 -5.0 22 22 A I H X S+ 0 0 95 -4,-2.5 4,-1.0 1,-0.2 3,-0.4 0.844 119.9 46.4 -66.8 -34.6 -21.3 -11.7 -3.6 23 23 A W H X>S+ 0 0 29 -4,-2.1 5,-2.1 -5,-0.3 4,-1.9 0.911 114.3 43.9 -76.4 -44.2 -17.7 -12.6 -4.5 24 24 A E H <>S+ 0 0 29 -4,-2.5 5,-0.7 3,-0.2 -1,-0.2 0.324 117.7 48.7 -84.5 9.7 -16.0 -9.5 -3.3 25 25 A R H 45S+ 0 0 150 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.2 0.572 120.4 31.1-118.5 -21.7 -18.1 -9.6 -0.1 26 26 A V H <5S+ 0 0 92 -4,-1.0 -2,-0.2 -3,-0.2 -3,-0.2 0.638 141.1 9.7-109.4 -24.0 -17.6 -13.3 0.9 27 27 A L T <5S+ 0 0 73 -4,-1.9 -3,-0.2 -5,-0.2 -4,-0.1 0.704 132.8 36.6-119.7 -61.4 -14.1 -13.8 -0.5 28 28 A G T < + 0 0 14 -5,-2.1 -4,-0.2 1,-0.1 -3,-0.2 0.975 61.5 175.1 -61.7 -59.6 -12.4 -10.6 -1.7 29 29 A V < + 0 0 110 -5,-0.7 -4,-0.1 -6,-0.1 -1,-0.1 0.634 60.0 91.6 59.1 12.7 -13.8 -8.2 1.1 30 30 A S S S- 0 0 36 -6,-0.1 -25,-0.2 -26,-0.1 -1,-0.1 0.876 98.3-103.3 -98.5 -68.6 -11.5 -5.7 -0.6 31 31 A G + 0 0 12 -27,-0.1 -25,-1.2 -26,-0.1 -22,-0.1 0.477 64.5 140.0 143.5 34.0 -13.5 -3.8 -3.3 32 32 A I + 0 0 10 -27,-0.2 2,-0.1 1,-0.1 -8,-0.1 -0.139 10.1 149.0 -88.4-173.1 -12.5 -5.1 -6.7 33 33 A G + 0 0 3 3,-0.1 3,-0.4 7,-0.0 2,-0.3 -0.483 68.2 0.0-174.5-109.2 -14.6 -5.9 -9.7 34 34 A I S S+ 0 0 25 -26,-1.3 -25,-0.1 1,-0.2 -24,-0.0 -0.329 104.8 87.0-103.3 49.5 -13.9 -5.7 -13.4 35 35 A L S S- 0 0 86 -2,-0.3 -1,-0.2 -26,-0.0 -26,-0.1 0.235 93.3-114.6-128.0 9.9 -10.3 -4.6 -13.1 36 36 A D + 0 0 87 -3,-0.4 5,-0.1 35,-0.1 -3,-0.1 0.393 55.2 139.3 66.1 150.8 -8.6 -8.0 -12.8 37 37 A N S S- 0 0 17 3,-0.3 -34,-0.1 -5,-0.1 -35,-0.0 -0.389 74.3 -29.4-177.8 -96.2 -6.8 -9.1 -9.7 38 38 A F S >S+ 0 0 77 -2,-0.1 5,-0.8 4,-0.1 4,-0.4 0.614 127.5 48.2-120.0 -28.1 -6.9 -12.6 -8.1 39 39 A F T > 5S+ 0 0 18 1,-0.2 2,-2.0 2,-0.1 3,-1.1 0.958 110.7 37.8 -78.7 -83.9 -10.3 -13.9 -9.1 40 40 A Q T 3 5S+ 0 0 12 -7,-0.2 -3,-0.3 1,-0.2 -1,-0.2 -0.499 111.0 59.0 -73.9 82.3 -11.0 -13.3 -12.8 41 41 A I T 3 5S- 0 0 94 -2,-2.0 -1,-0.2 -3,-0.3 -2,-0.1 0.241 125.8 -46.6-172.0 -36.5 -7.5 -14.1 -14.1 42 42 A G T < 5S+ 0 0 27 -3,-1.1 2,-0.3 -4,-0.4 -3,-0.1 0.228 91.8 116.2 177.0 -30.5 -6.4 -17.6 -13.1 43 43 A G < - 0 0 32 -5,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 -0.462 39.3-169.1 -65.1 120.4 -7.2 -18.3 -9.5 44 44 A H - 0 0 85 -2,-0.3 3,-0.3 1,-0.2 -1,-0.1 0.027 23.2-158.2 -98.8 26.6 -9.8 -21.1 -9.3 45 45 A S - 0 0 37 1,-0.2 -1,-0.2 -6,-0.1 -6,-0.0 0.191 31.8 -87.5 31.2-145.3 -10.3 -20.6 -5.6 46 46 A L S S+ 0 0 175 4,-0.0 2,-0.2 5,-0.0 -1,-0.2 -0.021 85.0 112.1-146.9 31.6 -11.8 -23.5 -3.7 47 47 A K S >> S- 0 0 110 -3,-0.3 4,-1.6 1,-0.1 3,-0.7 -0.577 78.4-107.6-105.3 169.6 -15.5 -23.1 -4.0 48 48 A A H 3> S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.845 117.2 63.3 -63.6 -35.2 -18.2 -25.1 -5.9 49 49 A M H 3> S+ 0 0 77 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.827 104.8 48.0 -58.9 -32.1 -18.5 -22.3 -8.5 50 50 A A H <> S+ 0 0 4 -3,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.924 108.0 51.8 -74.5 -47.2 -14.8 -23.0 -9.4 51 51 A V H X S+ 0 0 80 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.849 108.3 54.8 -57.5 -34.5 -15.3 -26.8 -9.6 52 52 A A H X S+ 0 0 56 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.910 106.5 49.0 -65.5 -43.3 -18.2 -26.1 -12.0 53 53 A A H < S+ 0 0 2 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.777 109.7 54.9 -66.7 -26.4 -16.0 -24.0 -14.3 54 54 A Q H ><>S+ 0 0 56 -4,-1.7 5,-2.1 1,-0.2 3,-0.8 0.910 113.0 38.9 -72.7 -44.6 -13.5 -26.9 -14.2 55 55 A V H ><5S+ 0 0 93 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.762 108.4 63.6 -76.5 -26.5 -16.0 -29.5 -15.3 56 56 A H T 3<5S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.418 110.9 39.3 -77.6 2.7 -17.6 -27.1 -17.8 57 57 A R T < 5S- 0 0 135 -3,-0.8 -1,-0.2 -5,-0.1 -2,-0.2 0.240 120.5-100.7-133.6 8.3 -14.2 -27.0 -19.6 58 58 A E T < 5S- 0 0 167 -3,-0.9 -3,-0.2 3,-0.0 -2,-0.1 0.961 85.5 -41.5 68.4 53.8 -13.2 -30.6 -19.4 59 59 A Y < - 0 0 161 -5,-2.1 3,-0.2 -8,-0.1 -4,-0.1 0.974 59.2-163.5 57.7 88.3 -10.7 -30.2 -16.5 60 60 A Q - 0 0 23 -6,-0.3 2,-2.7 1,-0.2 3,-0.4 0.820 17.5-179.4 -67.7 -30.1 -8.8 -27.0 -17.2 61 61 A V + 0 0 93 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 -0.373 70.0 16.2 65.9 -72.7 -6.2 -28.2 -14.6 62 62 A E S S+ 0 0 146 -2,-2.7 -1,-0.2 1,-0.3 -2,-0.1 0.876 129.8 16.0 -92.8 -84.4 -4.0 -25.2 -14.9 63 63 A L - 0 0 117 -3,-0.4 2,-1.4 1,-0.1 -1,-0.3 -0.806 60.2-141.6-101.1 135.1 -5.6 -22.1 -16.5 64 64 A P > - 0 0 1 0, 0.0 6,-1.0 0, 0.0 4,-0.5 -0.403 30.8-170.5 -88.2 58.4 -9.3 -21.7 -17.0 65 65 A L B 4 -a 70 0A 115 -2,-1.4 6,-0.1 1,-0.2 -23,-0.0 -0.317 64.0 -15.5 -55.9 119.1 -8.9 -20.0 -20.4 66 66 A K T 4 S+ 0 0 140 4,-0.9 -1,-0.2 -2,-0.1 5,-0.1 0.956 106.4 100.5 47.1 83.4 -12.2 -18.7 -21.6 67 67 A V T 4 S- 0 0 0 -3,-0.4 -2,-0.1 3,-0.1 14,-0.1 0.340 100.9 -56.2-155.6 -44.3 -14.7 -20.4 -19.3 68 68 A L S < S+ 0 0 32 -4,-0.5 3,-0.2 13,-0.1 5,-0.1 0.157 126.7 42.3-178.3 -39.5 -15.8 -18.1 -16.5 69 69 A F S S+ 0 0 1 -5,-0.3 2,-2.6 1,-0.2 -4,-0.1 0.907 99.3 66.0 -92.0 -52.7 -12.8 -16.8 -14.5 70 70 A A B S+a 65 0A 24 -6,-1.0 -4,-0.9 -30,-0.2 -1,-0.2 -0.408 92.5 72.1 -73.9 71.6 -10.2 -16.0 -17.2 71 71 A Q S S- 0 0 54 -2,-2.6 2,-1.5 -3,-0.2 6,-0.1 -0.579 71.2-140.2 176.4 115.3 -12.2 -13.1 -18.7 72 72 A P S S+ 0 0 69 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 -0.108 92.6 70.1 -76.0 41.4 -13.0 -9.6 -17.5 73 73 A T >> + 0 0 47 -2,-1.5 4,-1.5 -5,-0.1 3,-0.9 -0.448 51.3 170.9-157.9 74.5 -16.5 -9.8 -18.8 74 74 A I H 3> S+ 0 0 16 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.863 82.5 57.0 -55.1 -40.8 -18.7 -12.3 -16.9 75 75 A K H 3> S+ 0 0 58 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.821 103.0 56.3 -62.4 -30.8 -21.8 -11.2 -18.8 76 76 A A H <4 S+ 0 0 20 -3,-0.9 3,-0.4 1,-0.2 -1,-0.2 0.943 113.5 37.2 -66.0 -49.1 -20.1 -12.0 -22.0 77 77 A L H >X>S+ 0 0 6 -4,-1.5 5,-2.6 1,-0.2 3,-1.7 0.779 107.7 68.1 -72.8 -27.3 -19.4 -15.6 -21.0 78 78 A A H 3<5S+ 0 0 33 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.838 106.8 39.0 -60.6 -34.3 -22.8 -15.8 -19.3 79 79 A Q T 3<5S+ 0 0 109 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.086 126.2 38.2-103.3 21.6 -24.5 -15.5 -22.7 80 80 A Y T <45S+ 0 0 183 -3,-1.7 -2,-0.2 -5,-0.0 -3,-0.2 0.543 133.5 2.6-129.9 -69.9 -22.0 -17.8 -24.4 81 81 A V T ><5S+ 0 0 52 -4,-1.5 3,-1.2 2,-0.1 -3,-0.2 0.823 131.8 51.2 -94.1 -39.3 -20.8 -20.8 -22.3 82 82 A A T 3