==== 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 2GDW . 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) . 5443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 55 64.7 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 . 1 1.2 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 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.4 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 1 1 0 0 0 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 0 254 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 43.3 -21.8 20.2 0.0 2 2 A G + 0 0 65 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.923 360.0 132.6 123.8-146.4 -20.9 19.2 3.6 3 3 A V - 0 0 116 -2,-0.3 -1,-0.2 3,-0.0 3,-0.0 0.717 28.8-163.1 62.8 130.8 -22.2 16.2 5.7 4 4 A T + 0 0 67 27,-0.0 3,-0.1 36,-0.0 2,-0.1 0.848 66.1 13.7-104.1 -40.5 -20.0 13.8 7.6 5 5 A E S S+ 0 0 67 27,-0.1 27,-0.3 1,-0.1 26,-0.0 -0.137 89.0 64.6-125.1-166.1 -22.1 10.7 8.4 6 6 A A + 0 0 62 25,-3.3 26,-0.2 1,-0.1 -1,-0.1 0.442 54.7 156.5 53.9 25.1 -25.5 8.9 7.4 7 7 A Q S S- 0 0 89 -3,-0.1 -1,-0.1 1,-0.1 25,-0.1 0.601 74.0 -60.0 -46.3 -36.0 -24.3 8.3 3.8 8 8 A Y - 0 0 168 0, 0.0 -1,-0.1 0, 0.0 25,-0.1 0.035 58.7-150.9 177.2 -60.6 -26.6 5.3 3.0 9 9 A V + 0 0 74 1,-0.1 24,-0.1 27,-0.1 23,-0.0 0.987 33.7 150.1 57.3 79.3 -25.8 2.4 5.5 10 10 A A + 0 0 42 7,-0.0 -1,-0.1 0, 0.0 23,-0.0 -0.838 21.4 178.7-131.3 89.4 -26.6 -1.0 3.9 11 11 A P - 0 0 64 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.403 15.4-170.0 -70.8-152.2 -24.2 -3.7 5.4 12 12 A T + 0 0 115 1,-0.5 2,-0.1 2,-0.1 63,-0.0 -0.220 55.6 7.5-162.8 -83.2 -24.0 -7.5 4.6 13 13 A N S > S- 0 0 67 -2,-0.1 4,-2.7 4,-0.0 -1,-0.5 -0.307 86.4 -77.7-109.7-175.2 -21.8 -9.8 6.8 14 14 A A H > S+ 0 0 80 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.941 129.0 45.6 -48.9 -58.2 -19.8 -9.6 10.1 15 15 A V H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.882 115.4 49.0 -55.2 -49.9 -16.8 -7.8 8.5 16 16 A E H > S+ 0 0 3 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.937 121.0 32.4 -50.6 -62.7 -19.1 -5.3 6.7 17 17 A S H X S+ 0 0 58 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.948 119.7 50.7 -68.0 -47.3 -21.3 -4.4 9.7 18 18 A K H X S+ 0 0 99 -4,-3.1 4,-3.2 -5,-0.3 -3,-0.2 0.903 113.8 44.3 -61.7 -47.1 -18.6 -4.6 12.4 19 19 A L H X S+ 0 0 2 -4,-2.6 4,-3.5 -5,-0.4 -1,-0.2 0.905 111.0 53.5 -68.0 -36.6 -16.1 -2.4 10.5 20 20 A A H X S+ 0 0 7 -4,-2.3 4,-2.7 -5,-0.4 12,-0.3 0.945 113.3 45.7 -57.8 -43.1 -18.8 0.1 9.6 21 21 A E H X S+ 0 0 85 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.958 114.0 47.3 -58.6 -55.1 -19.5 0.1 13.4 22 22 A I H >X S+ 0 0 45 -4,-3.2 4,-3.1 2,-0.2 3,-0.8 0.948 114.6 47.3 -55.3 -51.0 -15.7 0.4 14.2 23 23 A W H 3X S+ 0 0 10 -4,-3.5 4,-3.2 1,-0.3 5,-0.3 0.940 112.4 47.3 -56.0 -55.9 -15.3 3.2 11.6 24 24 A E H 3< S+ 0 0 55 -4,-2.7 6,-1.8 -5,-0.2 7,-0.4 0.614 119.7 41.5 -61.2 -28.0 -18.3 5.3 12.8 25 25 A R H XX S+ 0 0 176 -4,-1.6 3,-1.7 -3,-0.8 4,-0.8 0.908 119.3 41.0 -76.7 -61.1 -17.1 4.9 16.4 26 26 A V H 3< S+ 0 0 72 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.831 110.9 57.8 -60.6 -40.7 -13.3 5.5 16.0 27 27 A L T 3< S- 0 0 31 -4,-3.2 -1,-0.3 -5,-0.3 -3,-0.1 0.678 141.0 -61.2 -61.1 -19.3 -13.8 8.3 13.4 28 28 A G T <4 - 0 0 43 -3,-1.7 3,-0.3 -5,-0.3 -2,-0.2 0.246 69.6 -84.5 120.9 86.7 -15.9 10.2 16.1 29 29 A V S < S+ 0 0 102 -4,-0.8 -4,-0.2 1,-0.2 -5,-0.1 -0.009 91.5 106.6 -13.8 90.4 -19.0 8.5 17.4 30 30 A S S S- 0 0 62 -6,-1.8 -1,-0.2 -26,-0.0 -5,-0.1 0.403 76.9-100.1-141.9 -69.4 -21.6 9.5 14.8 31 31 A G - 0 0 19 -7,-0.4 -25,-3.3 -3,-0.3 2,-0.1 0.565 38.6-172.1 127.0 94.7 -22.8 6.8 12.2 32 32 A I - 0 0 0 -12,-0.3 2,-0.2 -27,-0.3 -27,-0.1 -0.324 20.1-105.3-101.7-177.8 -21.5 6.6 8.7 33 33 A G > - 0 0 0 3,-0.2 3,-1.6 -2,-0.1 41,-0.2 -0.509 31.6-103.1-105.4 171.7 -22.3 4.5 5.5 34 34 A I T 3 S+ 0 0 8 1,-0.3 40,-2.3 -2,-0.2 41,-0.2 0.946 127.2 51.5 -57.3 -48.7 -20.7 1.5 3.7 35 35 A L T > S- 0 0 90 38,-0.2 3,-0.5 1,-0.2 -1,-0.3 0.430 103.7-157.7 -61.2 -6.5 -19.4 4.0 1.1 36 36 A D T < - 0 0 1 -3,-1.6 -1,-0.2 1,-0.2 -3,-0.2 -0.160 44.0 -67.2 54.5-154.1 -18.0 5.9 4.2 37 37 A N T 3 - 0 0 30 -3,-0.1 3,-0.3 35,-0.1 -1,-0.2 0.210 61.3-137.8-101.2 13.7 -17.3 9.6 3.6 38 38 A F S < S+ 0 0 135 34,-0.7 -2,-0.1 -3,-0.5 35,-0.1 0.358 88.5 51.0 37.6 5.4 -14.4 8.4 1.2 39 39 A F S >> S+ 0 0 134 33,-0.1 3,-2.0 3,-0.0 4,-0.7 0.533 103.1 41.7-116.4 -79.3 -12.1 11.1 2.7 40 40 A Q T 34 S+ 0 0 50 1,-0.3 3,-0.1 -3,-0.3 7,-0.1 0.663 99.4 70.9 -53.6 -31.5 -11.9 11.3 6.6 41 41 A I T 34 S+ 0 0 12 1,-0.2 -1,-0.3 31,-0.1 28,-0.1 0.754 101.0 48.4 -59.6 -32.7 -11.7 7.5 7.3 42 42 A G T <4 S- 0 0 0 -3,-2.0 3,-0.3 26,-0.2 -1,-0.2 0.902 94.2-169.0 -66.9 -53.2 -8.1 7.4 5.7 43 43 A G <> - 0 0 10 -4,-0.7 2,-2.6 4,-0.2 5,-1.9 0.962 28.5-128.3 56.6 105.9 -7.0 10.4 7.8 44 44 A H T 5S+ 0 0 166 3,-0.2 2,-0.2 4,-0.1 -1,-0.2 -0.246 91.3 42.5 -75.1 53.9 -3.7 12.1 7.0 45 45 A S T >>5S- 0 0 69 -2,-2.6 3,-0.7 -3,-0.3 4,-0.7 -0.691 127.0 -23.6-163.6-146.9 -2.5 11.9 10.7 46 46 A L H 3>5S+ 0 0 133 1,-0.2 4,-3.0 -2,-0.2 5,-0.2 0.737 120.8 78.3 -54.4 -25.2 -2.6 9.2 13.5 47 47 A K H 3>5S+ 0 0 39 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.942 88.9 51.9 -50.2 -55.4 -5.6 7.7 11.6 48 48 A A H <>S+ 0 0 18 -4,-1.6 4,-3.0 1,-0.2 5,-1.3 0.935 111.6 54.4 -64.1 -46.9 -6.5 -2.8 12.5 55 55 A V H <5S+ 0 0 0 -4,-3.3 7,-2.3 3,-0.2 6,-0.8 0.702 113.4 46.3 -61.4 -28.3 -5.5 -3.7 8.8 56 56 A H H X5S+ 0 0 103 -4,-1.7 4,-2.6 -5,-0.3 3,-0.2 0.877 122.7 28.5 -69.2 -77.9 -2.7 -5.8 10.4 57 57 A R H <5S+ 0 0 189 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.676 137.4 22.7 -59.7 -37.9 -4.5 -7.7 13.2 58 58 A E T <5S+ 0 0 99 -4,-3.0 -1,-0.2 -5,-0.2 -3,-0.2 0.636 132.4 36.2-105.5 -30.5 -8.1 -7.9 11.7 59 59 A Y T 4 - 0 0 37 -8,-0.2 4,-1.1 -7,-0.1 5,-0.4 -0.753 30.1-156.6-109.8 93.0 -1.6 -1.8 3.9 64 64 A P T 4 S- 0 0 68 0, 0.0 2,-2.8 0, 0.0 -15,-0.1 -0.311 74.5 -3.2 -66.3 149.7 -1.8 1.8 5.4 65 65 A L T > S+ 0 0 101 -23,-0.2 4,-2.6 1,-0.2 5,-0.5 -0.345 122.5 74.6 61.0 -46.9 -3.3 4.7 3.2 66 66 A K H >>>S+ 0 0 143 -2,-2.8 4,-3.1 1,-0.2 3,-0.8 0.934 104.0 31.9 -56.0 -65.5 -3.6 2.3 0.2 67 67 A V H 3X5S+ 0 0 1 -4,-1.1 4,-0.7 1,-0.2 -1,-0.2 0.810 119.9 58.5 -62.6 -25.2 -6.7 0.3 1.3 68 68 A L H 345S+ 0 0 10 -5,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.816 122.2 18.9 -72.2 -41.6 -7.9 3.5 3.1 69 69 A F H <<5S+ 0 0 87 -4,-2.6 -2,-0.2 -3,-0.8 -3,-0.2 0.739 128.8 46.1-103.7 -39.5 -8.0 5.7 0.0 70 70 A A H <5S+ 0 0 75 -4,-3.1 -3,-0.2 -5,-0.5 -2,-0.1 0.769 129.3 29.1 -74.6 -32.6 -8.1 3.2 -2.9 71 71 A Q S < S- 0 0 21 -2,-1.7 4,-2.6 -37,-0.1 3,-0.5 -0.983 81.4-130.5-157.2 131.7 -15.6 1.9 1.4 74 74 A I H > S+ 0 0 0 -40,-2.3 4,-3.4 -2,-0.3 5,-0.2 0.791 106.8 67.8 -62.4 -21.5 -16.3 -1.2 3.5 75 75 A K H > S+ 0 0 126 -41,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.969 110.2 33.3 -58.7 -53.6 -17.8 -2.9 0.4 76 76 A A H > S+ 0 0 19 -3,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.930 117.1 56.6 -70.3 -39.8 -14.3 -2.9 -1.2 77 77 A L H >X S+ 0 0 9 -4,-2.6 4,-1.3 -6,-0.3 3,-0.8 0.939 108.3 47.3 -55.4 -49.0 -12.6 -3.4 2.2 78 78 A A H >X S+ 0 0 0 -4,-3.4 4,-3.6 1,-0.3 3,-0.8 0.923 109.8 52.6 -60.2 -45.4 -14.7 -6.6 2.8 79 79 A Q H 3< S+ 0 0 91 -4,-1.9 5,-0.3 1,-0.3 -1,-0.3 0.686 111.2 48.6 -64.0 -26.9 -13.9 -7.9 -0.7 80 80 A Y H << S+ 0 0 91 -4,-1.5 -1,-0.3 -3,-0.8 5,-0.2 0.690 127.3 22.9 -77.7 -27.0 -10.1 -7.4 0.0 81 81 A V H << S+ 0 0 15 -4,-1.3 2,-0.2 -3,-0.8 -2,-0.2 0.751 124.7 43.0-116.3 -30.2 -10.2 -9.2 3.4 82 82 A A S < S+ 0 0 46 -4,-3.6 -1,-0.1 -5,-0.2 -2,-0.1 -0.495 119.0 42.5-116.4 56.1 -13.3 -11.6 3.6 83 83 A T S S+ 0 0 90 -2,-0.2 -3,-0.1 -3,-0.1 -4,-0.1 0.187 134.7 6.0-162.4 -65.6 -12.8 -13.0 0.0 84 84 A R 0 0 159 -5,-0.3 -3,-0.1 -4,-0.0 -4,-0.1 0.653 360.0 360.0-101.5 -33.2 -9.0 -13.7 -0.6 85 85 A S 0 0 91 -5,-0.2 -4,-0.1 -6,-0.1 -5,-0.1 0.622 360.0 360.0 61.8 360.0 -7.8 -12.9 3.0