==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 12-DEC-05 2FCU . COMPND 2 MOLECULE: SYRINGOMYCIN BIOSYNTHESIS ENZYME 2; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SYRINGAE; . AUTHOR L.C.BLASIAK,C.L.DRENNAN . 608 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25591.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 22.7 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 49 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 2 0 0 0 2 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 . 13 3 6 5 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 1 2 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 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 2 A S 0 0 169 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -14.0 -17.4 32.0 30.1 2 3 A K > - 0 0 102 83,-0.1 3,-2.2 1,-0.1 0, 0.0 -0.330 360.0-107.3 -64.5 149.7 -16.4 30.0 27.0 3 4 A K T 3 S+ 0 0 173 1,-0.3 -1,-0.1 0, 0.0 79,-0.0 0.823 114.9 31.3 -48.0 -46.9 -14.5 26.8 27.8 4 5 A F T 3 S+ 0 0 41 77,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.111 85.1 141.2-106.1 26.1 -11.0 28.1 26.7 5 6 A A < - 0 0 32 -3,-2.2 81,-0.2 1,-0.1 2,-0.2 -0.227 60.7 -99.9 -61.5 150.9 -11.4 31.8 27.5 6 7 A L - 0 0 16 79,-0.5 -1,-0.1 80,-0.1 2,-0.1 -0.532 38.7-121.7 -64.8 136.5 -8.3 33.6 29.0 7 8 A T > - 0 0 65 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.343 28.8-103.3 -65.8 164.4 -8.5 33.9 32.7 8 9 A A H > S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.885 124.9 50.6 -58.3 -38.5 -8.4 37.5 34.1 9 10 A E H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.883 110.9 47.8 -69.3 -39.9 -4.8 36.9 35.1 10 11 A Q H > S+ 0 0 56 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.910 111.1 51.2 -66.3 -41.7 -3.8 35.6 31.7 11 12 A R H X S+ 0 0 75 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.920 111.0 48.8 -59.1 -42.1 -5.6 38.5 30.1 12 13 A A H X S+ 0 0 52 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.909 111.9 48.3 -64.0 -42.8 -3.6 40.9 32.4 13 14 A S H X S+ 0 0 14 -4,-2.4 4,-2.9 2,-0.2 5,-0.5 0.911 109.6 52.6 -64.9 -43.1 -0.3 39.1 31.5 14 15 A F H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.923 108.7 51.0 -55.3 -44.8 -1.1 39.3 27.8 15 16 A E H < S+ 0 0 104 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.873 116.6 40.1 -61.7 -37.1 -1.7 43.1 28.2 16 17 A K H < S+ 0 0 100 -4,-1.7 -2,-0.2 499,-0.2 -1,-0.2 0.971 127.7 28.7 -75.9 -56.5 1.7 43.6 29.9 17 18 A N H < S- 0 0 6 -4,-2.9 145,-2.4 498,-0.4 146,-0.4 0.761 94.2-128.7 -81.3 -30.4 3.9 41.3 27.9 18 19 A G S < S+ 0 0 0 -4,-2.4 211,-2.0 -5,-0.5 2,-0.3 0.449 83.6 65.3 89.9 0.6 2.2 41.3 24.5 19 20 A F E -A 228 0A 5 -6,-0.3 2,-0.3 209,-0.2 -1,-0.3 -0.953 58.3-169.2-147.0 159.9 2.1 37.5 24.3 20 21 A I E -A 227 0A 18 207,-2.2 207,-2.1 -2,-0.3 3,-0.2 -0.960 37.4 -14.7-156.1 140.6 0.4 34.7 26.2 21 22 A G E - 0 0 6 -2,-0.3 205,-0.2 1,-0.3 2,-0.2 -0.852 34.2-127.8 122.7-162.2 0.9 30.9 26.3 22 23 A P E + 0 0 5 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.483 50.3 175.7 -70.8 157.6 1.9 28.5 25.1 23 24 A F E -A 225 0A 20 202,-2.6 202,-2.7 -3,-0.2 2,-0.5 -0.858 30.9-105.9-123.3 160.6 -1.4 26.6 25.1 24 25 A D E +A 224 0A 67 -2,-0.3 200,-0.2 200,-0.2 3,-0.1 -0.779 36.5 162.7 -92.3 127.2 -2.3 23.1 23.7 25 26 A A S S+ 0 0 11 198,-2.9 2,-0.3 -2,-0.5 199,-0.2 0.737 78.0 1.7 -98.1 -39.9 -4.3 22.8 20.5 26 27 A Y S S- 0 0 15 197,-1.7 -1,-0.4 196,-0.0 0, 0.0 -0.952 81.2 -98.2-139.4 159.6 -3.3 19.1 19.9 27 28 A S > - 0 0 51 -2,-0.3 4,-2.5 -3,-0.1 5,-0.2 -0.393 41.9-111.8 -69.2 157.9 -1.2 16.4 21.6 28 29 A P H > S+ 0 0 35 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.884 119.2 54.1 -59.5 -34.9 2.3 16.1 20.1 29 30 A E H > S+ 0 0 141 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.921 110.2 45.2 -64.9 -45.3 1.3 12.7 18.8 30 31 A E H > S+ 0 0 101 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.927 113.8 49.9 -64.4 -46.0 -1.8 14.0 17.0 31 32 A M H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.918 108.4 52.9 -58.8 -45.0 0.2 17.0 15.6 32 33 A K H X S+ 0 0 129 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.926 113.7 42.6 -57.8 -45.5 3.0 14.8 14.3 33 34 A E H X S+ 0 0 86 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.910 115.3 48.9 -66.6 -44.1 0.5 12.6 12.4 34 35 A T H X S+ 0 0 4 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.910 111.5 49.0 -64.6 -42.0 -1.6 15.5 11.1 35 36 A W H X S+ 0 0 21 -4,-2.9 4,-3.1 -5,-0.2 5,-0.3 0.907 105.6 58.3 -69.5 -38.3 1.5 17.3 9.9 36 37 A K H X S+ 0 0 98 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.949 115.3 36.3 -50.3 -52.7 2.8 14.2 8.1 37 38 A R H X S+ 0 0 117 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.896 118.1 50.0 -68.7 -43.5 -0.4 14.0 6.0 38 39 A T H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.896 104.7 57.1 -66.9 -40.7 -0.8 17.7 5.6 39 40 A R H X S+ 0 0 108 -4,-3.1 4,-0.5 1,-0.2 -1,-0.2 0.901 110.7 44.9 -58.7 -41.6 2.8 18.4 4.5 40 41 A L H >< S+ 0 0 120 -4,-1.2 3,-1.1 -5,-0.3 4,-0.4 0.930 111.7 52.7 -68.3 -43.7 2.3 15.9 1.6 41 42 A R H >< S+ 0 0 90 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.873 101.2 60.6 -57.2 -42.0 -1.2 17.3 0.7 42 43 A L H 3< S+ 0 0 20 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.655 85.4 75.3 -68.4 -16.3 0.1 20.9 0.5 43 44 A L T << S+ 0 0 138 -3,-1.1 2,-0.8 -4,-0.5 -1,-0.3 0.792 83.8 77.1 -63.2 -27.5 2.5 20.0 -2.3 44 45 A D < + 0 0 84 -3,-1.6 3,-0.3 -4,-0.4 -1,-0.1 -0.796 56.1 172.7 -85.1 108.5 -0.6 19.9 -4.5 45 46 A R > + 0 0 62 -2,-0.8 3,-1.5 1,-0.2 -1,-0.1 0.178 41.5 116.1 -95.4 13.4 -1.5 23.5 -5.3 46 47 A S T 3 S+ 0 0 85 1,-0.3 -1,-0.2 5,-0.0 -2,-0.0 0.768 86.7 31.8 -59.3 -28.4 -4.2 22.7 -7.8 47 48 A A T 3 S+ 0 0 22 -3,-0.3 -1,-0.3 3,-0.0 254,-0.2 0.309 89.9 133.2-108.4 6.1 -7.0 24.2 -5.6 48 49 A A < - 0 0 7 -3,-1.5 19,-0.1 1,-0.1 -3,-0.1 -0.237 62.1-128.1 -61.5 144.9 -4.9 27.0 -4.1 49 50 A A S S+ 0 0 14 17,-0.4 2,-0.6 1,-0.1 230,-0.4 0.858 96.6 58.5 -56.5 -38.0 -6.3 30.5 -4.0 50 51 A Y + 0 0 4 15,-0.2 2,-0.2 12,-0.1 3,-0.2 -0.878 68.4 174.8-106.6 120.6 -3.2 31.9 -5.6 51 52 A Q + 0 0 98 -2,-0.6 225,-0.2 1,-0.2 -5,-0.0 -0.658 57.9 33.3-115.3 167.2 -2.1 30.6 -9.0 52 53 A D > + 0 0 135 -2,-0.2 3,-1.4 1,-0.1 -1,-0.2 0.860 62.1 157.0 54.6 40.8 0.7 31.7 -11.3 53 54 A L G > + 0 0 26 1,-0.3 3,-1.6 -3,-0.2 -1,-0.1 0.633 58.3 80.8 -71.2 -12.0 3.0 32.6 -8.4 54 55 A D G 3 S+ 0 0 163 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.744 79.6 68.1 -65.6 -22.0 6.0 32.1 -10.8 55 56 A A G < S+ 0 0 80 -3,-1.4 2,-0.7 219,-0.1 -1,-0.3 0.630 81.4 87.8 -71.6 -15.4 5.2 35.6 -12.2 56 57 A I < - 0 0 16 -3,-1.6 217,-0.2 -4,-0.1 2,-0.1 -0.805 67.8-163.8 -89.9 116.3 6.3 37.2 -8.8 57 58 A S + 0 0 77 215,-1.3 215,-0.3 -2,-0.7 2,-0.1 -0.453 45.0 20.4 -94.1 167.0 10.1 37.8 -8.9 58 59 A G S S- 0 0 41 -2,-0.1 2,-0.3 213,-0.1 -2,-0.0 -0.355 109.8 -11.5 76.7-155.8 12.5 38.5 -6.1 59 60 A G S S+ 0 0 4 -2,-0.1 212,-0.3 137,-0.1 213,-0.3 -0.645 72.8 144.2 -85.7 136.6 11.9 37.6 -2.5 60 61 A T - 0 0 41 -2,-0.3 3,-0.3 135,-0.1 135,-0.0 -0.863 41.1-160.1-171.4 131.2 8.4 36.5 -1.4 61 62 A N > + 0 0 19 -2,-0.3 3,-2.7 1,-0.2 4,-0.3 0.153 61.1 120.5 -95.3 14.4 6.9 34.0 1.1 62 63 A I G > + 0 0 3 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.773 62.9 64.2 -51.3 -35.0 3.6 34.2 -1.0 63 64 A A G 3 S+ 0 0 47 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.693 102.1 51.9 -64.0 -17.4 3.7 30.4 -1.7 64 65 A N G < S+ 0 0 41 -3,-2.7 38,-1.8 38,-0.1 3,-0.4 0.455 92.4 106.9 -98.3 0.7 3.3 29.9 2.1 65 66 A Y B < S-B 101 0A 23 -3,-1.5 36,-0.2 -4,-0.3 -15,-0.2 -0.537 82.0 -9.8 -83.4 140.0 0.2 32.2 2.4 66 67 A D > + 0 0 2 34,-2.6 3,-1.6 -2,-0.2 -17,-0.4 0.694 63.9 151.6 59.9 35.8 -3.4 31.4 2.9 67 68 A R G >> + 0 0 12 -3,-0.4 4,-2.3 1,-0.3 3,-1.4 0.658 63.8 78.2 -71.7 -12.7 -3.3 27.6 2.5 68 69 A H G 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.741 82.1 68.4 -62.2 -22.9 -6.4 27.5 4.8 69 70 A L G <4 S+ 0 0 4 -3,-1.6 232,-2.6 1,-0.2 -1,-0.2 0.690 117.2 19.1 -71.1 -19.3 -8.3 28.6 1.8 70 71 A D T <4 S+ 0 0 1 -3,-1.4 2,-0.4 230,-0.3 -2,-0.2 0.553 105.3 89.3-121.1 -16.6 -7.7 25.2 0.1 71 72 A D X - 0 0 1 -4,-2.3 4,-2.1 1,-0.1 5,-0.2 -0.726 58.6-148.8-101.0 133.4 -6.7 22.7 2.9 72 73 A D H > S+ 0 0 72 -2,-0.4 4,-1.1 1,-0.2 -1,-0.1 0.881 98.7 42.3 -59.7 -47.8 -9.2 20.5 4.9 73 74 A F H >> S+ 0 0 30 2,-0.2 4,-2.9 1,-0.2 3,-0.7 0.953 113.4 50.1 -67.6 -47.6 -7.1 20.4 8.1 74 75 A L H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.867 104.4 60.4 -62.0 -33.3 -6.1 24.1 8.1 75 76 A A H 3< S+ 0 0 0 -4,-2.1 4,-0.3 1,-0.2 -1,-0.3 0.853 112.3 38.7 -62.4 -35.4 -9.7 25.1 7.6 76 77 A S H X< S+ 0 0 12 -4,-1.1 3,-1.4 -3,-0.7 4,-0.3 0.887 110.9 60.4 -75.4 -44.8 -10.5 23.4 10.9 77 78 A H H >< S+ 0 0 0 -4,-2.9 3,-1.8 1,-0.3 -2,-0.2 0.889 99.1 53.9 -53.3 -45.7 -7.3 24.5 12.7 78 79 A I T 3< S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.713 111.9 48.3 -66.3 -16.4 -8.0 28.3 12.3 79 80 A C T < S+ 0 0 17 -3,-1.4 229,-0.4 -4,-0.3 -1,-0.3 0.316 76.9 136.7-103.4 1.2 -11.4 27.7 14.0 80 81 A R X> - 0 0 38 -3,-1.8 4,-3.3 -4,-0.3 3,-1.0 -0.271 54.4-139.0 -55.0 129.9 -10.2 25.6 17.0 81 82 A P H 3> S+ 0 0 41 0, 0.0 4,-2.5 0, 0.0 5,-0.4 0.842 102.2 65.6 -62.0 -28.8 -12.0 26.7 20.2 82 83 A E H 34 S+ 0 0 35 1,-0.2 4,-0.3 2,-0.2 -2,-0.1 0.859 116.4 28.9 -57.1 -36.3 -8.7 26.3 22.1 83 84 A I H <> S+ 0 0 0 -3,-1.0 4,-2.2 -6,-0.2 3,-0.4 0.899 122.4 49.0 -86.9 -51.3 -7.4 29.2 19.9 84 85 A C H X S+ 0 0 5 -4,-3.3 4,-2.8 1,-0.2 5,-0.2 0.851 105.0 55.1 -69.3 -35.3 -10.6 31.1 19.2 85 86 A D H X S+ 0 0 20 -4,-2.5 4,-1.3 -5,-0.2 -79,-0.5 0.866 113.3 45.7 -64.4 -34.4 -11.9 31.4 22.7 86 87 A R H > S+ 0 0 34 -5,-0.4 4,-0.7 -3,-0.4 -2,-0.2 0.880 111.7 48.9 -74.6 -41.0 -8.6 32.9 23.7 87 88 A V H >X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 3,-1.1 0.909 108.6 56.7 -61.9 -38.4 -8.5 35.3 20.7 88 89 A E H 3X S+ 0 0 46 -4,-2.8 4,-2.2 1,-0.3 -2,-0.2 0.885 98.4 60.3 -60.6 -38.8 -12.1 36.3 21.6 89 90 A S H 3< S+ 0 0 40 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.777 118.0 30.4 -58.4 -27.6 -10.9 37.3 25.1 90 91 A I H << S+ 0 0 21 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.812 129.6 33.0 -97.1 -43.0 -8.7 39.8 23.4 91 92 A L H < S- 0 0 18 -4,-3.3 3,-0.3 1,-0.3 -3,-0.2 0.493 100.1-128.1-103.7 -4.0 -10.5 40.9 20.2 92 93 A G < - 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