==== 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 2FCV . COMPND 2 MOLECULE: SYRINGOMYCIN BIOSYNTHESIS ENZYME 2; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SYRINGAE; . AUTHOR L.C.BLASIAK,C.L.DRENNAN . 603 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 59.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 23.1 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 . 2 0.3 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 . 1 0.2 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 . 39 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 11.8 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 . 14 4 5 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 . 8 0 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 3 A K > 0 0 97 0, 0.0 3,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.5 -16.6 30.9 26.6 2 4 A K T 3 + 0 0 183 1,-0.3 76,-0.1 0, 0.0 0, 0.0 0.835 360.0 30.5 -59.9 -38.1 -14.8 27.7 27.5 3 5 A F T 3 S+ 0 0 48 74,-0.2 -1,-0.3 2,-0.0 3,-0.1 0.107 85.7 145.0-110.0 25.7 -11.3 28.8 26.5 4 6 A A < - 0 0 38 -3,-1.6 78,-0.2 1,-0.1 2,-0.2 -0.194 59.3 -97.8 -58.1 152.7 -11.6 32.5 27.2 5 7 A L - 0 0 16 76,-0.5 -1,-0.1 77,-0.2 2,-0.0 -0.475 40.4-120.6 -66.5 137.1 -8.5 34.3 28.5 6 8 A T > - 0 0 62 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.306 26.6-106.1 -67.4 163.9 -8.6 34.7 32.3 7 9 A A H > S+ 0 0 77 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.906 124.7 49.2 -61.5 -37.5 -8.5 38.2 33.7 8 10 A E H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 110.9 48.9 -67.9 -43.5 -4.9 37.6 34.7 9 11 A Q H > S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.893 109.9 52.5 -60.7 -40.6 -4.0 36.3 31.2 10 12 A R H X S+ 0 0 73 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.884 109.0 49.4 -62.5 -40.9 -5.7 39.3 29.7 11 13 A A H X S+ 0 0 50 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.898 111.8 48.9 -63.3 -42.0 -3.6 41.7 31.9 12 14 A S H X S+ 0 0 16 -4,-2.2 4,-3.5 2,-0.2 5,-0.5 0.919 110.4 50.4 -64.6 -43.6 -0.4 39.8 30.9 13 15 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.927 110.4 50.0 -59.7 -47.0 -1.2 40.0 27.3 14 16 A E H < S+ 0 0 105 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.869 117.4 40.9 -59.9 -38.4 -1.9 43.8 27.6 15 17 A K H < S+ 0 0 110 -4,-1.8 -2,-0.2 495,-0.1 -1,-0.2 0.958 127.7 27.5 -73.3 -55.3 1.5 44.3 29.3 16 18 A N H < S- 0 0 6 -4,-3.5 142,-2.3 494,-0.4 143,-0.4 0.768 93.6-128.3 -82.0 -32.4 3.7 41.9 27.3 17 19 A G S < S+ 0 0 0 -4,-2.3 208,-2.1 -5,-0.5 2,-0.3 0.451 84.5 64.3 92.2 4.0 1.9 41.9 23.9 18 20 A F E -A 224 0A 5 -6,-0.3 2,-0.3 206,-0.2 -1,-0.3 -0.938 59.9-167.7-148.8 158.1 1.9 38.1 23.7 19 21 A I E -A 223 0A 18 204,-2.3 204,-2.2 -2,-0.3 3,-0.2 -0.971 37.2 -16.9-155.7 141.1 0.2 35.4 25.8 20 22 A G E - 0 0 8 -2,-0.3 202,-0.2 1,-0.2 2,-0.2 -0.827 35.3-126.9 120.7-158.8 0.6 31.6 26.0 21 23 A P E + 0 0 4 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.469 49.8 176.4 -70.6 154.7 1.7 29.1 24.7 22 24 A F E -A 221 0A 20 199,-2.7 199,-2.4 -3,-0.2 2,-0.5 -0.863 30.5-104.0-120.5 164.5 -1.6 27.2 24.9 23 25 A D E +A 220 0A 51 -2,-0.3 197,-0.2 197,-0.2 3,-0.1 -0.762 35.7 164.5 -95.1 128.9 -2.5 23.7 23.6 24 26 A A S S- 0 0 9 195,-2.8 2,-0.3 -2,-0.5 196,-0.2 0.736 78.0 -2.1 -95.9 -37.8 -4.5 23.1 20.4 25 27 A Y S S- 0 0 13 194,-1.4 -1,-0.4 193,-0.0 0, 0.0 -0.950 82.2 -94.4-144.8 160.4 -3.6 19.4 20.0 26 28 A S > - 0 0 51 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.418 41.6-111.4 -69.2 157.2 -1.4 16.9 21.8 27 29 A P H > S+ 0 0 24 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.881 119.9 53.4 -59.2 -34.3 2.1 16.5 20.3 28 30 A E H > S+ 0 0 141 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.921 110.6 45.6 -67.2 -42.5 1.2 13.0 19.1 29 31 A E H > S+ 0 0 100 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.952 113.7 49.5 -66.2 -46.0 -1.9 14.3 17.3 30 32 A M H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.925 108.3 53.6 -59.7 -44.4 0.0 17.2 15.8 31 33 A K H X S+ 0 0 95 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.915 113.5 41.5 -55.9 -45.4 2.9 14.9 14.6 32 34 A E H X S+ 0 0 80 -4,-1.7 4,-1.8 2,-0.2 5,-0.2 0.929 115.3 50.1 -70.6 -45.5 0.5 12.6 12.7 33 35 A T H X S+ 0 0 26 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.916 112.4 47.7 -57.9 -44.9 -1.6 15.5 11.3 34 36 A W H X S+ 0 0 21 -4,-3.2 4,-2.8 -5,-0.2 5,-0.3 0.896 105.3 59.0 -68.8 -35.6 1.5 17.3 10.1 35 37 A K H X S+ 0 0 139 -4,-1.9 4,-0.9 -5,-0.3 -1,-0.2 0.943 115.1 35.9 -53.2 -49.3 2.8 14.2 8.5 36 38 A R H X S+ 0 0 163 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.890 117.4 51.4 -73.0 -44.7 -0.3 13.9 6.3 37 39 A T H X S+ 0 0 1 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.911 103.0 57.6 -61.8 -45.7 -0.8 17.6 5.8 38 40 A R H X S+ 0 0 113 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.882 112.6 42.9 -54.2 -40.3 2.8 18.3 4.6 39 41 A L H >< S+ 0 0 115 -4,-0.9 3,-1.2 -5,-0.3 4,-0.3 0.940 112.5 51.0 -71.6 -50.2 2.2 15.8 1.8 40 42 A R H >< S+ 0 0 89 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.880 102.6 62.3 -50.7 -42.0 -1.3 16.9 0.9 41 43 A L H 3< S+ 0 0 17 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.705 85.9 73.1 -64.8 -20.8 -0.0 20.5 0.6 42 44 A L T << S+ 0 0 140 -3,-1.2 2,-0.8 -4,-0.5 -1,-0.3 0.704 83.5 79.7 -64.1 -21.8 2.4 19.6 -2.2 43 45 A D < + 0 0 77 -3,-1.8 3,-0.3 -4,-0.3 -1,-0.1 -0.846 55.0 171.4 -89.1 107.6 -0.8 19.3 -4.3 44 46 A R > + 0 0 67 -2,-0.8 3,-1.6 1,-0.2 -1,-0.1 0.257 41.1 115.4 -98.3 12.6 -1.7 22.9 -5.3 45 47 A S T 3 S+ 0 0 99 1,-0.3 -1,-0.2 3,-0.0 5,-0.0 0.674 86.3 32.3 -61.5 -21.6 -4.4 21.9 -7.7 46 48 A A T 3 S+ 0 0 20 -3,-0.3 -1,-0.3 3,-0.0 251,-0.2 0.326 88.5 133.8-110.6 4.7 -7.2 23.5 -5.6 47 49 A A < - 0 0 14 -3,-1.6 16,-0.1 1,-0.1 15,-0.1 -0.171 62.2-129.1 -58.4 145.3 -5.1 26.4 -4.2 48 50 A A S S+ 0 0 14 14,-0.3 2,-0.7 1,-0.2 227,-0.4 0.798 101.4 56.9 -62.6 -30.8 -6.7 29.8 -4.3 49 51 A Y + 0 0 5 12,-0.2 -1,-0.2 1,-0.2 -2,-0.1 -0.912 62.2 164.8-109.1 107.3 -3.6 31.2 -5.9 50 52 A Q + 0 0 179 -2,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.948 66.8 42.4 -83.8 -71.1 -2.9 29.3 -9.1 51 53 A D + 0 0 125 1,-0.1 221,-0.4 2,-0.1 -1,-0.2 -0.642 59.6 179.8 -84.9 125.0 -0.4 31.5 -10.9 52 54 A L - 0 0 29 -2,-0.4 218,-1.9 219,-0.1 -1,-0.1 0.460 25.6-145.8-103.7 -5.0 2.3 32.9 -8.6 53 55 A D 0 0 104 216,-0.2 -2,-0.1 1,-0.2 218,-0.1 0.858 360.0 360.0 39.8 47.1 4.2 34.9 -11.2 54 56 A A 0 0 95 215,-0.1 215,-0.2 2,-0.1 -1,-0.2 -0.656 360.0 360.0 -89.1 360.0 7.3 34.0 -9.2 55 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 56 61 A T > 0 0 49 0, 0.0 3,-1.6 0, 0.0 212,-0.2 0.000 360.0 360.0 360.0 142.1 8.1 33.3 -3.6 57 62 A N G > + 0 0 18 210,-0.6 3,-2.0 134,-0.3 41,-0.2 0.714 360.0 77.7 -64.0 -21.6 7.0 33.4 0.0 58 63 A I G > S+ 0 0 0 209,-0.4 3,-2.0 208,-0.3 -1,-0.3 0.769 77.0 74.9 -57.9 -25.2 3.4 34.0 -1.3 59 64 A A G < S+ 0 0 32 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.694 90.8 56.9 -56.8 -20.6 3.4 30.2 -2.0 60 65 A N G < S+ 0 0 40 -3,-2.0 38,-1.3 -4,-0.1 3,-0.4 0.484 89.7 110.7 -86.8 -3.3 2.9 29.8 1.8 61 66 A Y B < S-B 97 0A 2 -3,-2.0 36,-0.2 1,-0.2 -12,-0.2 -0.561 79.6 -12.8 -88.5 140.9 -0.3 32.0 1.9 62 67 A D > + 0 0 2 34,-2.4 3,-1.9 -2,-0.3 -14,-0.3 0.697 62.9 152.9 55.7 38.8 -3.8 31.1 2.6 63 68 A R G >> + 0 0 13 -3,-0.4 4,-2.4 1,-0.3 3,-1.3 0.631 65.6 76.8 -72.0 -14.3 -3.7 27.3 2.3 64 69 A H G 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.715 82.9 67.4 -59.7 -21.7 -6.7 27.3 4.7 65 70 A L G <4 S+ 0 0 4 -3,-1.9 232,-2.5 1,-0.2 -1,-0.2 0.686 117.6 20.1 -76.8 -15.6 -8.7 28.3 1.6 66 71 A D T <4 S+ 0 0 1 -3,-1.3 2,-0.5 230,-0.2 -2,-0.2 0.561 105.9 87.5-120.6 -18.6 -8.0 24.8 0.1 67 72 A D X - 0 0 1 -4,-2.4 4,-2.1 1,-0.1 5,-0.2 -0.723 58.8-150.0-102.5 128.9 -7.1 22.5 2.9 68 73 A D H > S+ 0 0 73 -2,-0.5 4,-1.1 1,-0.2 -1,-0.1 0.883 98.2 43.0 -51.6 -50.9 -9.6 20.5 5.1 69 74 A F H >> S+ 0 0 32 2,-0.2 4,-2.9 1,-0.2 3,-0.6 0.932 113.7 49.1 -66.0 -47.8 -7.5 20.4 8.2 70 75 A L H 3> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.852 105.7 59.3 -66.1 -29.4 -6.4 24.1 8.1 71 76 A A H 3< S+ 0 0 0 -4,-2.1 -1,-0.3 2,-0.2 4,-0.2 0.861 111.8 40.7 -64.1 -34.5 -10.0 25.1 7.5 72 77 A S H X< S+ 0 0 5 -4,-1.1 3,-1.8 -3,-0.6 4,-0.3 0.910 110.4 59.8 -73.8 -48.2 -10.8 23.4 10.9 73 78 A H H >< S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.3 -2,-0.2 0.858 98.2 54.0 -52.2 -46.9 -7.7 24.7 12.6 74 79 A I T 3< S+ 0 0 0 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.680 111.5 49.9 -63.4 -19.0 -8.3 28.5 12.2 75 80 A C T < S+ 0 0 19 -3,-1.8 229,-0.4 -4,-0.2 -1,-0.3 0.325 76.6 136.7 -98.9 2.9 -11.7 27.8 13.8 76 81 A R X> - 0 0 39 -3,-1.7 4,-3.2 -4,-0.3 3,-1.1 -0.264 54.1-140.5 -57.4 128.2 -10.5 25.9 16.9 77 82 A P H 3> S+ 0 0 43 0, 0.0 4,-2.2 0, 0.0 5,-0.5 0.849 102.5 64.7 -60.6 -31.4 -12.3 27.1 20.0 78 83 A E H 34 S+ 0 0 33 1,-0.2 4,-0.3 2,-0.2 -2,-0.1 0.846 116.7 29.5 -54.4 -34.0 -9.0 26.8 21.9 79 84 A I H <> S+ 0 0 0 -3,-1.1 4,-2.3 -6,-0.2 3,-0.4 0.915 122.0 48.0 -89.1 -55.8 -7.8 29.6 19.6 80 85 A C H X S+ 0 0 5 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.853 105.5 56.3 -63.4 -40.3 -10.9 31.5 18.8 81 86 A D H X S+ 0 0 25 -4,-2.2 4,-1.6 -5,-0.2 -76,-0.5 0.901 112.7 44.9 -58.2 -35.6 -12.2 31.9 22.4 82 87 A R H > S+ 0 0 32 -5,-0.5 4,-0.9 -3,-0.4 -2,-0.2 0.920 111.8 50.3 -78.0 -38.1 -8.9 33.5 23.2 83 88 A V H >X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 3,-0.8 0.904 108.2 55.1 -61.3 -39.1 -8.9 35.7 20.2 84 89 A E H 3X S+ 0 0 75 -4,-2.8 4,-2.0 1,-0.3 -1,-0.2 0.885 98.5 61.4 -61.7 -40.7 -12.4 36.8 21.1 85 90 A S H 3< S+ 0 0 44 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.805 118.7 28.9 -52.4 -32.2 -11.2 37.9 24.5 86 91 A I H << S+ 0 0 23 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.832 129.2 34.6 -96.8 -42.2 -9.0 40.4 22.8 87 92 A L H < S- 0 0 20 -4,-3.2 3,-0.4 1,-0.3 -3,-0.2 0.475 98.9-130.9-104.1 -7.5 -10.8 41.3 19.5 88 93 A G < - 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C 0 246A 5 -38,-1.3 148,-0.2 -2,-0.3 -38,-0.1 -0.736 16.2-162.7 -83.0 141.7 3.4 28.8 6.7 99 104 A F E - C 0 245A 21 146,-3.1 146,-2.2 -2,-0.3 2,-0.3 -0.827 11.5-175.8-129.6 88.1 6.8 29.6 8.2 100 105 A P E - C 0 244A 21 0, 0.0 2,-0.5 0, 0.0 144,-0.2 -0.615 13.2-166.1 -77.8 142.1 9.4 26.9 7.5 101 106 A K E - C 0 243A 5 142,-2.6 142,-2.7 -2,-0.3 3,-0.1 -0.928 14.3-158.7-121.4 108.2 12.9 26.9 8.9 102 107 A Y > - 0 0 111 -2,-0.5 3,-2.9 140,-0.2 133,-0.2 -0.454 43.9 -71.3 -73.0 154.9 14.9 24.3 7.1 103 108 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.2 0, 0.0 133,-0.1 -0.215 125.3 15.1 -49.2 127.9 18.1 23.0 8.8 104 109 A G T 3 S+ 0 0 33 131,-0.3 132,-0.1 1,-0.2 46,-0.0 0.345 90.6 150.1 87.5 -8.7 20.6 25.9 8.6 105 110 A D < - 0 0 57 -3,-2.9 130,-2.4 1,-0.1 -1,-0.2 -0.189 50.1-104.8 -62.2 148.0 18.1 28.7 7.7 106 111 A E - 0 0 23 128,-0.2 82,-0.2 1,-0.1 2,-0.1 -0.267 41.1-100.5 -59.5 153.3 18.7 32.3 8.8 107 112 A G E -g 188 0B 0 80,-2.6 82,-2.5 127,-0.1 2,-0.2 -0.450 42.2 -97.0 -70.3 155.7 16.6 33.7 11.6 108 113 A T E -g 189 0B 8 125,-0.3 124,-1.6 80,-0.2 82,-0.2 -0.557 47.2-108.9 -71.7 134.3 13.6 35.8 10.8 109 114 A D - 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