==== 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 15-SEP-09 3JUQ . COMPND 2 MOLECULE: PHENAZINE BIOSYNTHESIS PROTEIN A/B; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA SP.; . AUTHOR M.MENTEL,R.BREINBAUER,W.BLANKENFELDT . 312 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15652.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 22.8 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 . 2 0.6 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 . 24 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0 1 1 0 0 0 0 0 2 0 0 0 0 0 0 1 1 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 . 0 0 0 2 0 2 1 1 0 0 0 2 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 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 9 A N 0 0 129 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 61.0 59.2 -3.1 55.9 2 10 A T > - 0 0 69 1,-0.1 4,-2.5 0, 0.0 5,-0.1 -0.627 360.0-113.2 -97.8 162.3 61.8 -0.5 57.3 3 11 A S H > S+ 0 0 82 2,-0.2 4,-2.2 -2,-0.2 5,-0.1 0.764 117.5 58.3 -72.9 -22.6 63.7 -0.9 60.7 4 12 A E H > S+ 0 0 141 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.968 110.9 41.4 -61.8 -56.8 61.8 2.1 62.1 5 13 A N H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.875 113.8 53.5 -57.0 -42.8 58.5 0.3 61.5 6 14 A R H X S+ 0 0 151 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.894 108.2 50.2 -59.9 -41.1 60.1 -3.0 62.7 7 15 A A H X S+ 0 0 59 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.893 112.6 47.6 -63.0 -41.8 61.2 -1.2 66.0 8 16 A Q H X S+ 0 0 84 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.909 108.3 52.5 -70.4 -38.4 57.7 0.1 66.5 9 17 A V H X S+ 0 0 74 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.938 112.9 46.1 -65.6 -42.0 56.0 -3.3 65.8 10 18 A A H X S+ 0 0 56 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.905 110.8 52.4 -66.6 -41.0 58.2 -4.9 68.4 11 19 A A H X S+ 0 0 28 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.905 112.3 46.2 -55.8 -46.1 57.6 -2.0 71.0 12 20 A R H X S+ 0 0 47 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.924 112.4 49.0 -66.6 -42.3 53.9 -2.5 70.5 13 21 A Q H X S+ 0 0 133 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.913 114.0 47.1 -62.5 -41.2 54.1 -6.3 70.8 14 22 A H H X S+ 0 0 95 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.923 113.3 47.5 -67.6 -45.8 56.2 -6.0 74.0 15 23 A N H X S+ 0 0 3 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.884 105.8 58.5 -65.5 -36.6 54.0 -3.4 75.6 16 24 A R H X S+ 0 0 62 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.897 103.4 52.8 -62.3 -33.9 50.8 -5.4 74.8 17 25 A K H X S+ 0 0 145 -4,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.872 108.4 51.5 -69.6 -34.4 52.2 -8.3 76.8 18 26 A I H X S+ 0 0 20 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.917 109.8 48.7 -64.7 -46.8 52.7 -5.9 79.7 19 27 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.949 112.1 49.2 -58.0 -44.2 49.1 -4.7 79.4 20 28 A E H X S+ 0 0 53 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.938 112.1 48.1 -56.9 -47.0 48.0 -8.4 79.3 21 29 A Q H X S+ 0 0 109 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.923 112.0 50.1 -64.0 -42.8 50.1 -9.2 82.4 22 30 A Y H >< S+ 0 0 5 -4,-2.9 3,-1.2 1,-0.2 -1,-0.2 0.946 111.4 47.7 -55.7 -52.9 48.7 -6.1 84.2 23 31 A M H 3< S+ 0 0 1 -4,-2.6 55,-0.4 1,-0.3 -1,-0.2 0.785 114.7 46.2 -66.3 -26.2 45.1 -6.9 83.5 24 32 A H H 3< S+ 0 0 107 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.3 0.422 80.3 118.5 -97.2 1.1 45.5 -10.6 84.6 25 33 A T << + 0 0 17 -3,-1.2 2,-0.3 -4,-0.6 53,-0.2 -0.589 39.3 164.8 -69.9 125.4 47.3 -10.0 87.8 26 34 A R > - 0 0 115 -2,-0.3 3,-1.1 51,-0.1 4,-0.1 -0.940 37.1 -1.0-135.5 163.2 45.3 -11.3 90.7 27 35 A G G > S- 0 0 34 49,-0.4 3,-2.2 -2,-0.3 4,-0.3 -0.218 124.3 -6.8 63.7-149.2 45.7 -12.1 94.4 28 36 A E G > S+ 0 0 142 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.765 123.7 74.5 -56.8 -23.2 49.1 -11.8 96.1 29 37 A A G X S+ 0 0 57 -3,-1.1 3,-1.6 1,-0.3 4,-0.4 0.726 79.1 74.3 -60.7 -22.8 50.7 -11.0 92.7 30 38 A R G X S+ 0 0 19 -3,-2.2 3,-1.1 1,-0.3 4,-0.4 0.834 82.6 68.0 -59.2 -30.0 49.0 -7.6 93.0 31 39 A L G < S+ 0 0 56 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.632 107.4 38.8 -62.0 -18.4 51.7 -6.7 95.6 32 40 A K G X S+ 0 0 150 -3,-1.6 3,-1.7 -4,-0.2 -1,-0.2 0.361 83.1 99.0-115.7 6.2 54.4 -6.8 92.7 33 41 A R G X S+ 0 0 59 -3,-1.1 3,-2.6 -4,-0.4 4,-0.2 0.800 70.5 73.1 -67.9 -26.7 52.4 -5.2 89.9 34 42 A H G > S+ 0 0 40 -4,-0.4 3,-1.8 1,-0.3 -1,-0.3 0.740 80.4 74.3 -58.6 -22.9 54.2 -1.9 90.6 35 43 A L G < S+ 0 0 94 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.627 82.5 68.4 -67.9 -9.8 57.3 -3.5 89.1 36 44 A L G < S+ 0 0 16 -3,-2.6 91,-3.0 -4,-0.1 -1,-0.3 0.578 91.0 81.4 -79.2 -10.6 55.6 -3.0 85.7 37 45 A F E < S-a 127 0A 3 -3,-1.8 91,-0.2 89,-0.3 85,-0.1 -0.540 87.4-103.3 -98.4 155.0 56.0 0.8 86.0 38 46 A T E > - 0 0 8 89,-2.6 3,-1.7 -2,-0.2 21,-0.3 -0.281 45.3-102.1 -61.0 157.3 58.9 3.2 85.3 39 47 A E E 3 S+ 0 0 125 1,-0.3 20,-2.4 19,-0.1 21,-0.3 0.891 128.5 36.8 -53.6 -38.3 60.5 4.4 88.5 40 48 A D E 3 S+ 0 0 93 18,-0.2 -1,-0.3 19,-0.1 18,-0.1 0.237 92.3 141.1 -96.6 12.1 58.6 7.6 88.1 41 49 A G E < - 0 0 0 -3,-1.7 17,-3.2 16,-0.1 2,-0.4 -0.158 39.5-145.6 -59.7 150.2 55.4 5.9 86.7 42 50 A V E +aB 129 57A 22 86,-2.3 88,-2.5 15,-0.2 2,-0.3 -0.921 21.1 169.5-119.9 135.5 52.0 7.2 87.7 43 51 A G E + B 0 56A 0 13,-1.9 13,-3.6 -2,-0.4 2,-0.3 -0.942 20.9 94.4-131.2 162.8 48.9 5.1 88.2 44 52 A G E - B 0 55A 9 86,-0.3 88,-2.1 -2,-0.3 2,-0.5 -0.964 63.6 -39.9 152.3-161.4 45.5 5.8 89.7 45 53 A L E +cB 132 54A 21 9,-1.6 9,-2.8 -2,-0.3 88,-0.2 -0.870 31.1 179.9-107.7 115.8 41.8 6.8 89.4 46 54 A W S S+ 0 0 52 86,-3.1 2,-0.6 -2,-0.5 87,-0.2 0.556 71.4 62.7 -92.4 -10.2 40.8 9.5 87.1 47 55 A T + 0 0 8 85,-0.6 2,-0.3 7,-0.1 -1,-0.2 -0.908 69.3 149.8-121.0 99.2 37.1 9.5 87.7 48 56 A T > - 0 0 2 -2,-0.6 3,-0.6 -3,-0.1 247,-0.1 -0.819 58.9-109.4-129.4 167.7 36.4 10.4 91.3 49 57 A D T 3 S+ 0 0 15 -2,-0.3 -1,-0.1 1,-0.2 256,-0.0 0.836 117.6 53.7 -68.7 -26.8 33.6 12.2 93.3 50 58 A S T 3 S- 0 0 66 2,-0.3 -1,-0.2 258,-0.1 257,-0.0 0.708 108.1-123.2 -79.2 -17.9 35.9 15.2 93.8 51 59 A G S < S+ 0 0 23 -3,-0.6 -2,-0.1 1,-0.3 -1,-0.1 0.189 80.9 104.9 88.8 -14.1 36.6 15.6 90.2 52 60 A Q S S- 0 0 135 -5,-0.1 -1,-0.3 1,-0.1 -2,-0.3 -0.838 74.9-113.1 -98.8 140.8 40.3 15.4 90.8 53 61 A P - 0 0 49 0, 0.0 2,-1.0 0, 0.0 -7,-0.2 -0.231 14.2-130.8 -62.2 150.3 42.3 12.2 90.0 54 62 A I E -B 45 0A 40 -9,-2.8 -9,-1.6 2,-0.0 2,-0.5 -0.923 36.1-172.4 -94.2 98.6 43.9 10.1 92.7 55 63 A A E -B 44 0A 31 -2,-1.0 2,-0.6 -11,-0.2 -11,-0.2 -0.898 15.3-158.6-101.5 128.6 47.3 9.9 91.1 56 64 A I E -B 43 0A 30 -13,-3.6 -13,-1.9 -2,-0.5 2,-0.7 -0.937 17.7-156.5-105.4 108.3 49.9 7.5 92.8 57 65 A R E +B 42 0A 175 -2,-0.6 -15,-0.2 -15,-0.2 4,-0.2 -0.832 47.8 18.7-105.1 117.5 53.3 8.8 91.7 58 66 A G S > S- 0 0 14 -17,-3.2 4,-2.6 -2,-0.7 -18,-0.2 0.126 77.3 -97.5 110.8 147.4 56.3 6.5 91.6 59 67 A R H > S+ 0 0 54 -20,-2.4 4,-2.4 -21,-0.3 5,-0.2 0.916 122.4 48.7 -57.9 -45.9 57.0 2.8 91.6 60 68 A E H > S+ 0 0 146 -21,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.909 112.2 48.2 -67.4 -39.7 57.6 2.6 95.4 61 69 A K H > S+ 0 0 107 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.896 109.7 53.5 -63.0 -40.9 54.4 4.6 96.1 62 70 A L H X S+ 0 0 18 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.921 108.8 49.5 -60.9 -39.3 52.4 2.3 93.7 63 71 A G H X S+ 0 0 11 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.934 111.7 48.3 -68.5 -37.5 53.8 -0.7 95.7 64 72 A E H >X S+ 0 0 72 -4,-2.2 4,-1.0 1,-0.2 3,-0.6 0.894 110.3 51.0 -66.2 -40.4 52.7 0.8 99.0 65 73 A H H 3X S+ 0 0 32 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.845 101.0 64.2 -72.1 -27.7 49.2 1.7 97.7 66 74 A A H 3X S+ 0 0 16 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.817 96.3 57.3 -61.7 -31.3 48.9 -2.0 96.5 67 75 A V H X S+ 0 0 96 -4,-1.0 4,-2.3 1,-0.2 3,-0.6 0.907 112.6 51.3 -67.5 -39.6 46.1 -0.9 101.0 69 77 A S H 3X S+ 0 0 45 -4,-2.2 4,-2.4 1,-0.3 -1,-0.2 0.762 102.3 59.5 -70.4 -24.2 44.1 -2.0 97.9 70 78 A L H 3< S+ 0 0 25 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.845 109.9 44.0 -73.9 -24.8 44.6 -5.6 98.6 71 79 A Q H << S+ 0 0 155 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.916 118.7 43.2 -74.3 -42.9 42.8 -4.9 102.0 72 80 A C H < S+ 0 0 22 -4,-2.3 31,-2.8 1,-0.3 -2,-0.2 0.784 130.3 24.2 -76.1 -31.1 40.0 -2.8 100.4 73 81 A F S >< S+ 0 0 32 -4,-2.4 3,-0.8 29,-0.2 -1,-0.3 -0.731 74.9 171.3-133.6 78.1 39.5 -5.1 97.3 74 82 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.661 77.2 24.1 -73.2 -20.7 40.6 -8.5 98.6 75 83 A D T 3 S+ 0 0 85 26,-0.3 24,-0.1 2,-0.1 -5,-0.1 0.106 83.3 162.2-131.0 23.9 39.5 -10.6 95.7 76 84 A W < - 0 0 22 -3,-0.8 -49,-0.4 25,-0.2 2,-0.4 -0.093 12.1-177.5 -53.9 134.5 39.3 -8.1 92.8 77 85 A V E -D 99 0A 39 22,-1.9 22,-2.0 -51,-0.1 2,-0.4 -0.995 21.1-144.0-136.7 138.8 39.2 -9.5 89.2 78 86 A W E +D 98 0A 13 -55,-0.4 2,-0.3 -2,-0.4 20,-0.3 -0.854 31.1 172.0 -92.2 136.1 39.2 -7.8 85.9 79 87 A T E +D 97 0A 44 18,-2.3 18,-2.8 -2,-0.4 3,-0.2 -0.849 49.4 39.4-138.3 172.3 37.1 -9.7 83.3 80 88 A D E S- 0 0 119 -2,-0.3 2,-0.5 16,-0.2 -1,-0.2 0.918 78.1-172.0 56.0 42.7 35.7 -9.2 79.8 81 89 A I E - 0 0 41 -3,-0.2 2,-0.5 15,-0.2 15,-0.2 -0.594 16.0-179.5 -81.3 127.9 39.1 -7.7 78.9 82 90 A Q E -D 95 0A 78 13,-2.7 13,-2.2 -2,-0.5 2,-0.5 -0.984 12.8-154.9-126.4 117.5 39.4 -6.1 75.4 83 91 A I E -D 94 0A 15 -2,-0.5 2,-0.7 11,-0.2 11,-0.2 -0.831 3.9-159.9 -97.3 132.5 42.8 -4.6 74.6 84 92 A F E -D 93 0A 9 9,-3.3 9,-2.2 -2,-0.5 2,-0.1 -0.899 1.6-158.6-115.4 118.7 43.1 -1.8 72.1 85 93 A E - 0 0 41 -2,-0.7 160,-0.4 7,-0.2 2,-0.3 -0.357 17.6-159.7 -77.9 158.3 46.3 -1.1 70.4 86 94 A T - 0 0 6 2,-0.5 158,-0.2 5,-0.4 5,-0.1 -0.838 37.1 -90.1-129.9-179.5 46.7 2.4 68.9 87 95 A Q S S+ 0 0 83 156,-0.4 157,-0.1 -2,-0.3 155,-0.1 0.703 113.0 72.9 -64.6 -20.5 48.7 4.3 66.3 88 96 A D S > S- 0 0 52 3,-0.2 3,-2.1 155,-0.2 -2,-0.5 -0.861 76.8-150.9 -94.9 121.8 51.1 5.0 69.1 89 97 A P T 3 S+ 0 0 6 0, 0.0 -74,-0.2 0, 0.0 -1,-0.1 0.717 98.1 52.4 -67.3 -17.2 53.1 1.9 70.0 90 98 A N T 3 S+ 0 0 51 32,-0.1 32,-2.6 1,-0.1 2,-0.4 0.177 99.2 74.4-102.2 15.5 53.4 3.3 73.6 91 99 A W E < + E 0 121A 12 -3,-2.1 -5,-0.4 30,-0.2 2,-0.3 -0.978 53.3 166.8-134.3 124.2 49.7 3.9 74.1 92 100 A F E - E 0 120A 0 28,-2.6 28,-3.0 -2,-0.4 2,-0.3 -0.940 18.6-154.7-129.4 152.7 47.0 1.3 74.7 93 101 A W E -DE 84 119A 3 -9,-2.2 -9,-3.3 -2,-0.3 2,-0.4 -0.942 9.2-162.6-120.6 146.5 43.4 1.5 75.9 94 102 A V E -DE 83 118A 1 24,-2.0 24,-2.8 -2,-0.3 2,-0.5 -0.998 5.2-164.0-127.7 134.0 41.5 -1.4 77.6 95 103 A E E +DE 82 117A 11 -13,-2.2 -13,-2.7 -2,-0.4 2,-0.3 -0.961 34.0 135.0-112.1 132.2 37.8 -1.8 78.0 96 104 A C E - E 0 116A 2 20,-2.4 20,-2.9 -2,-0.5 2,-0.3 -0.938 47.1-115.0-158.8 173.5 36.8 -4.3 80.7 97 105 A R E -DE 79 115A 95 -18,-2.8 -18,-2.3 -2,-0.3 2,-0.3 -0.772 28.0-170.7-108.0 169.3 34.6 -5.1 83.6 98 106 A G E +DE 78 114A 2 16,-1.9 16,-2.3 -2,-0.3 2,-0.3 -0.974 7.6 170.2-156.3 149.8 35.7 -5.7 87.2 99 107 A E E +DE 77 113A 76 -22,-2.0 -22,-1.9 -2,-0.3 2,-0.3 -0.986 11.7 126.6-158.8 159.4 34.2 -6.9 90.4 100 108 A G E - E 0 112A 2 12,-2.0 12,-3.3 -2,-0.3 -24,-0.1 -0.926 59.6 -54.9 171.5 169.2 35.0 -7.9 93.9 101 109 A A E - E 0 111A 2 -2,-0.3 2,-0.5 10,-0.2 -26,-0.3 -0.352 45.3-146.7 -61.5 142.5 34.3 -7.3 97.5 102 110 A I E + E 0 110A 0 8,-2.1 8,-2.4 40,-0.2 2,-0.4 -0.992 19.1 177.3-116.1 125.3 34.7 -3.7 98.6 103 111 A V + 0 0 49 -31,-2.8 6,-0.1 -2,-0.5 -30,-0.1 -0.780 11.5 165.1-132.3 75.8 35.9 -3.4 102.2 104 112 A F > - 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