==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 29-JAN-09 3G12 . COMPND 2 MOLECULE: PUTATIVE LACTOYLGLUTATHIONE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BDELLOVIBRIO BACTERIOVORUS HD100; . AUTHOR Y.PATSKOVSKY,M.MADEGOWDA,M.GILMORE,S.CHANG,M.MALETIC, . 223 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12273.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 30.0 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 . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0 0 0 2 0 0 2 0 0 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 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 PARALLEL BRIDGES PER LADDER . 0 2 0 0 3 3 2 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 2 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 0 125 0, 0.0 182,-0.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 0.7 0.8 10.8 35.0 2 3 A L E +A 182 0A 10 180,-0.2 2,-0.4 136,-0.1 180,-0.2 -0.997 360.0 173.5-138.5 132.5 1.3 13.7 32.4 3 4 A L E -A 181 0A 84 178,-1.8 178,-2.5 -2,-0.4 2,-0.7 -0.993 29.7-136.5-134.7 132.9 0.8 13.9 28.7 4 5 A I E +A 180 0A 15 -2,-0.4 176,-0.2 176,-0.2 3,-0.1 -0.800 35.5 167.0 -76.1 116.7 1.0 16.9 26.3 5 6 A T E + 0 0 30 174,-2.5 39,-3.0 -2,-0.7 2,-0.3 0.687 51.0 22.3-111.7 -24.6 -2.1 16.3 24.3 6 7 A S E -Ab 179 44A 11 173,-1.6 173,-2.0 37,-0.2 2,-0.5 -0.978 42.7-168.4-152.8 137.4 -2.7 19.6 22.3 7 8 A I E -Ab 178 45A 4 37,-2.3 39,-2.4 -2,-0.3 2,-0.4 -0.994 22.9-173.1-112.4 124.2 -1.0 22.7 21.0 8 9 A T E -Ab 177 46A 12 169,-2.9 169,-2.5 -2,-0.5 2,-0.5 -0.980 8.6-170.1-124.3 131.1 -3.4 25.3 19.8 9 10 A I E -Ab 176 47A 0 37,-2.2 39,-2.3 -2,-0.4 2,-0.6 -0.975 13.4-149.5-120.7 119.2 -2.6 28.5 17.9 10 11 A N E - b 0 48A 26 165,-2.5 2,-0.3 -2,-0.5 39,-0.2 -0.795 31.3-179.3 -84.8 118.2 -5.2 31.3 17.3 11 12 A T E - b 0 49A 1 37,-3.5 39,-2.5 -2,-0.6 3,-0.3 -0.917 42.4-159.3-129.4 143.2 -4.1 33.0 14.1 12 13 A S S S+ 0 0 31 -2,-0.3 40,-0.1 37,-0.2 3,-0.1 0.282 98.2 60.6 -97.1 9.0 -5.3 35.8 11.8 13 14 A H > + 0 0 83 1,-0.1 4,-2.5 38,-0.1 5,-0.2 -0.433 63.1 155.1-126.8 56.6 -3.2 34.2 9.0 14 15 A L H > S+ 0 0 10 -3,-0.3 4,-2.5 1,-0.2 5,-0.2 0.873 72.2 46.7 -53.6 -47.8 -5.0 30.8 8.8 15 16 A Q H > S+ 0 0 133 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 114.7 46.3 -66.9 -42.3 -4.1 30.0 5.1 16 17 A G H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.879 114.5 47.6 -65.0 -41.2 -0.4 31.0 5.5 17 18 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.876 111.1 51.2 -69.8 -38.8 -0.1 29.0 8.7 18 19 A L H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.920 112.7 46.3 -60.4 -46.6 -1.8 26.0 7.2 19 20 A G H X S+ 0 0 15 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.904 113.3 50.6 -60.4 -45.0 0.7 26.2 4.2 20 21 A F H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 3,-0.2 0.955 114.1 41.1 -57.5 -56.9 3.6 26.6 6.6 21 22 A Y H X>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 4,-1.4 0.641 108.0 60.6 -77.5 -15.1 2.8 23.7 8.8 22 23 A R H <5S+ 0 0 122 -4,-1.5 -1,-0.2 3,-0.2 -2,-0.2 0.911 105.6 49.4 -68.3 -43.6 1.9 21.4 5.9 23 24 A I H <5S+ 0 0 45 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.1 0.857 106.6 55.6 -62.0 -38.2 5.4 21.8 4.6 24 25 A I H <5S- 0 0 7 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.883 131.2 -94.4 -62.0 -39.5 6.8 21.0 8.1 25 26 A G T <5S+ 0 0 35 -4,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.422 76.9 135.3 142.1 4.9 4.8 17.7 7.9 26 27 A F < - 0 0 8 -5,-2.5 2,-0.7 -8,-0.1 -1,-0.3 -0.570 41.4-148.5 -81.4 140.3 1.4 18.1 9.6 27 28 A Q - 0 0 172 -2,-0.2 12,-0.5 12,-0.1 2,-0.3 -0.905 20.3-159.1-110.9 103.3 -1.8 16.8 7.9 28 29 A F - 0 0 25 -2,-0.7 2,-0.5 10,-0.2 10,-0.3 -0.594 8.5-157.8 -88.2 139.0 -4.7 19.0 8.8 29 30 A T E -C 37 0A 102 8,-2.9 8,-2.3 -2,-0.3 2,-0.1 -0.973 16.3-135.7-112.9 127.1 -8.4 18.0 8.7 30 31 A A E C 36 0A 63 -2,-0.5 6,-0.2 6,-0.2 4,-0.0 -0.452 360.0 360.0 -72.8 152.6 -11.0 20.8 8.4 31 32 A S 0 0 124 4,-1.3 -1,-0.1 -2,-0.1 5,-0.0 -0.158 360.0 360.0 -78.9 360.0 -14.1 20.5 10.7 32 ! 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 33 38 A S 0 0 114 0, 0.0 2,-0.6 0, 0.0 17,-0.1 0.000 360.0 360.0 360.0 159.6 -14.2 29.7 14.4 34 39 A E - 0 0 109 15,-0.3 15,-2.4 -4,-0.0 2,-0.4 -0.679 360.0-173.3 -71.4 118.6 -12.8 28.2 11.2 35 40 A V E - D 0 48A 18 -2,-0.6 -4,-1.3 13,-0.2 2,-0.4 -0.959 23.7-171.9-132.0 135.0 -10.6 25.4 12.6 36 41 A H E -CD 30 47A 19 11,-2.0 11,-2.5 -2,-0.4 2,-0.4 -0.994 12.1-163.9-126.0 129.4 -8.1 22.9 11.2 37 42 A R E -CD 29 46A 70 -8,-2.3 -8,-2.9 -2,-0.4 2,-0.4 -0.946 10.2-178.5-121.2 131.0 -6.7 20.0 13.3 38 43 A A E - D 0 45A 1 7,-2.6 7,-3.2 -2,-0.4 2,-0.5 -0.961 12.8-155.1-116.8 142.6 -3.6 17.8 12.7 39 44 A V E + D 0 44A 111 -12,-0.5 2,-0.4 -2,-0.4 5,-0.2 -0.980 18.7 170.2-121.4 122.9 -2.7 14.9 15.1 40 45 A H E > - D 0 43A 43 3,-3.1 3,-1.4 -2,-0.5 77,-0.1 -0.969 66.1 -14.7-141.5 120.9 0.9 13.8 15.2 41 46 A N T 3 S- 0 0 112 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.849 127.7 -52.4 53.6 42.2 2.6 11.4 17.7 42 47 A G T 3 S+ 0 0 61 1,-0.2 2,-0.5 -39,-0.0 -1,-0.3 0.381 117.3 111.5 80.6 -3.6 -0.4 11.7 20.1 43 48 A V E < - D 0 40A 17 -3,-1.4 -3,-3.1 -37,-0.0 2,-0.7 -0.885 61.5-141.0-103.7 131.0 -0.3 15.5 20.1 44 49 A E E -bD 6 39A 71 -39,-3.0 -37,-2.3 -2,-0.5 2,-0.7 -0.839 12.7-163.9 -93.7 116.1 -3.1 17.5 18.5 45 50 A F E -bD 7 38A 4 -7,-3.2 -7,-2.6 -2,-0.7 2,-0.3 -0.876 15.8-178.0-101.3 108.6 -1.9 20.6 16.6 46 51 A S E -bD 8 37A 0 -39,-2.4 -37,-2.2 -2,-0.7 2,-0.5 -0.834 18.9-158.0-112.0 148.0 -4.8 22.9 15.9 47 52 A L E -bD 9 36A 0 -11,-2.5 -11,-2.0 -2,-0.3 2,-0.4 -0.988 12.1-164.7-122.6 119.7 -5.0 26.2 14.0 48 53 A Y E -bD 10 35A 55 -39,-2.3 -37,-3.5 -2,-0.5 2,-0.5 -0.879 18.5-128.6-106.0 138.0 -8.0 28.6 14.8 49 54 A S E +b 11 0A 38 -15,-2.4 -15,-0.3 -2,-0.4 2,-0.3 -0.722 37.0 166.1 -82.9 121.3 -9.0 31.5 12.6 50 55 A I - 0 0 64 -39,-2.5 -36,-0.2 -2,-0.5 2,-0.1 -0.825 36.6 -94.4-123.4 170.9 -9.3 34.8 14.6 51 56 A Q - 0 0 153 -2,-0.3 -38,-0.1 1,-0.1 -39,-0.1 -0.483 52.7 -78.6 -84.6 157.8 -9.6 38.4 13.5 52 57 A N - 0 0 90 1,-0.2 -1,-0.1 -2,-0.1 4,-0.0 -0.388 39.2-141.9 -54.5 117.2 -6.7 40.9 13.2 53 58 A P - 0 0 63 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.491 22.3-134.1 -66.9 -6.3 -6.1 42.0 16.8 54 59 A Q S S+ 0 0 184 1,-0.0 2,-0.2 0, 0.0 -2,-0.1 0.305 94.6 63.8 66.3 -7.1 -5.4 45.6 15.7 55 60 A R S S- 0 0 184 2,-0.0 2,-0.5 0, 0.0 -1,-0.0 -0.758 82.4-154.6-137.5 91.4 -2.3 45.7 17.9 56 61 A S - 0 0 107 -2,-0.2 2,-0.3 -4,-0.0 -4,-0.0 -0.553 12.8-168.3 -75.9 120.1 0.1 43.1 16.5 57 62 A Q - 0 0 74 -2,-0.5 -2,-0.0 114,-0.0 114,-0.0 -0.786 29.3-111.0-106.1 146.6 2.5 41.7 19.1 58 63 A I - 0 0 151 -2,-0.3 47,-0.1 1,-0.1 48,-0.1 -0.714 50.1-115.7 -71.6 121.6 5.6 39.6 18.6 59 64 A P - 0 0 41 0, 0.0 48,-0.2 0, 0.0 -1,-0.1 -0.171 8.2-140.4 -68.0 154.8 4.6 36.2 20.1 60 65 A S S S+ 0 0 43 46,-0.1 63,-2.4 62,-0.0 2,-0.3 0.574 74.6 95.4 -86.7 -15.3 6.1 34.6 23.2 61 66 A L E -H 122 0B 6 61,-0.2 46,-0.5 59,-0.0 2,-0.4 -0.627 47.6-179.3 -85.3 135.2 6.0 31.1 21.7 62 67 A Q E -Hi 121 107B 68 59,-2.5 59,-2.8 -2,-0.3 2,-0.3 -0.988 10.7-158.5-124.4 141.7 8.9 29.4 19.9 63 68 A L E -Hi 120 108B 6 44,-1.3 46,-3.0 -2,-0.4 2,-0.4 -0.889 3.7-155.7-120.0 152.5 8.7 25.9 18.5 64 69 A G E -Hi 119 109B 0 55,-2.3 54,-2.5 -2,-0.3 55,-1.5 -0.994 12.7-176.8-128.4 130.9 11.3 23.3 17.6 65 70 A F E -Hi 117 110B 5 44,-3.0 46,-2.2 -2,-0.4 2,-0.5 -0.961 21.3-144.6-127.4 143.6 11.0 20.5 15.0 66 71 A Q E +Hi 116 111B 95 50,-2.7 50,-2.0 -2,-0.4 2,-0.3 -0.943 37.7 162.5-101.3 126.0 13.1 17.6 13.8 67 72 A I E -H 115 0B 8 44,-2.9 2,-0.3 -2,-0.5 3,-0.2 -0.840 37.8-115.1-136.2 166.9 12.6 17.0 10.1 68 73 A T S S+ 0 0 77 46,-0.9 5,-0.1 -2,-0.3 44,-0.0 -0.821 94.6 25.8-102.9 152.4 14.1 15.3 7.0 69 74 A D > + 0 0 97 -2,-0.3 4,-2.4 3,-0.1 -1,-0.2 0.973 68.8 179.5 57.1 62.7 15.4 17.4 4.0 70 75 A L H > S+ 0 0 0 -3,-0.2 4,-2.5 1,-0.2 5,-0.2 0.917 77.3 45.7 -56.2 -50.4 16.1 20.6 6.0 71 76 A E H > S+ 0 0 93 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.879 114.8 47.1 -65.2 -40.1 17.4 22.6 3.0 72 77 A K H > S+ 0 0 125 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.852 112.6 50.3 -69.5 -36.5 14.5 21.5 0.8 73 78 A T H X S+ 0 0 11 -4,-2.4 4,-2.0 2,-0.2 3,-0.2 0.929 109.4 50.1 -65.9 -47.3 11.9 22.3 3.5 74 79 A V H X S+ 0 0 11 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.885 106.7 56.3 -59.2 -40.9 13.3 25.8 4.1 75 80 A Q H < S+ 0 0 119 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.876 111.7 42.9 -56.8 -41.7 13.2 26.5 0.4 76 81 A E H >< S+ 0 0 88 -4,-1.3 3,-0.9 -3,-0.2 -1,-0.2 0.810 108.8 58.3 -74.6 -32.7 9.5 25.7 0.4 77 82 A L H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 6,-0.2 0.853 99.1 56.7 -69.8 -35.0 8.7 27.6 3.6 78 83 A V T 3< S+ 0 0 69 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.531 95.2 69.1 -76.5 -3.7 10.0 31.0 2.3 79 84 A K T < S+ 0 0 158 -3,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.439 81.3 93.1 -87.7 -2.4 7.5 30.6 -0.5 80 85 A I S X S- 0 0 28 -3,-1.6 3,-2.0 -4,-0.1 -64,-0.1 -0.828 91.3-105.9 -92.6 127.0 4.7 31.1 2.1 81 86 A P T 3 S+ 0 0 107 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.281 104.1 15.8 -52.5 126.8 3.5 34.7 2.4 82 87 A G T 3 S+ 0 0 55 1,-0.3 2,-0.3 -4,-0.1 23,-0.1 0.129 99.0 116.7 95.3 -19.1 4.8 36.3 5.6 83 88 A A < + 0 0 10 -3,-2.0 2,-0.3 -6,-0.2 -1,-0.3 -0.662 37.1 172.7 -86.4 135.6 7.5 33.7 6.3 84 89 A M E -J 101 0B 112 17,-0.8 17,-2.7 -2,-0.3 2,-0.5 -0.999 32.5-118.6-143.7 145.1 11.2 34.5 6.3 85 90 A C E +J 100 0B 37 -2,-0.3 15,-0.2 15,-0.2 3,-0.2 -0.676 27.9 173.4 -81.0 122.7 14.4 32.7 7.1 86 91 A I E S+ 0 0 88 13,-1.8 2,-0.5 -2,-0.5 14,-0.2 0.826 75.3 31.1 -97.8 -39.9 16.3 34.3 10.0 87 92 A L E S-J 99 0B 61 12,-2.4 12,-2.1 3,-0.0 -1,-0.3 -0.975 84.6-138.8-117.9 117.5 19.1 31.7 10.4 88 93 A D E - 0 0 113 -2,-0.5 9,-0.1 10,-0.2 -17,-0.0 -0.279 44.9 -71.1 -63.1 152.0 20.1 29.8 7.2 89 94 A P E + 0 0 40 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.276 67.3 176.3 -45.2 119.6 20.8 26.1 7.3 90 95 A T E -J 97 0B 62 7,-2.4 7,-2.7 -3,-0.1 2,-0.4 -0.989 35.6-112.4-136.4 140.9 24.1 25.7 9.2 91 96 A D E +J 96 0B 132 -2,-0.3 5,-0.2 5,-0.2 0, 0.0 -0.644 49.6 162.8 -74.3 124.1 26.2 22.8 10.4 92 97 A M 0 0 68 3,-0.9 -2,-0.0 -2,-0.4 0, 0.0 -0.893 360.0 360.0-140.6 161.7 26.1 22.7 14.2 93 98 A P 0 0 164 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.235 360.0 360.0 -73.2 360.0 26.8 20.2 17.0 94 ! 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 95 100 A G 0 0 65 0, 0.0 -3,-0.9 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 87.1 23.2 18.5 13.6 96 101 A K E -J 91 0B 52 16,-0.6 16,-2.0 -5,-0.2 2,-0.3 -0.500 360.0-169.5 -69.4 135.4 22.2 20.8 10.7 97 102 A K E +JK 90 111B 46 -7,-2.7 -7,-2.4 14,-0.2 2,-0.3 -0.979 18.3 173.8-137.5 142.0 20.0 23.7 12.0 98 103 A A E - K 0 110B 0 12,-2.3 12,-3.4 -2,-0.3 2,-0.5 -0.993 17.1-149.7-141.2 146.6 17.8 26.5 10.6 99 104 A I E +JK 87 109B 44 -12,-2.1 -12,-2.4 -2,-0.3 -13,-1.8 -0.984 21.5 176.0-118.8 126.2 15.6 29.1 12.1 100 105 A V E -JK 85 108B 0 8,-2.8 8,-3.3 -2,-0.5 2,-0.4 -0.935 25.3-127.7-129.8 148.3 12.6 30.3 10.1 101 106 A L E -JK 84 107B 41 -17,-2.7 -17,-0.8 -2,-0.3 6,-0.2 -0.813 19.7-141.2 -97.8 131.3 9.7 32.7 11.0 102 107 A D > - 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