==== 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 LYASE 11-APR-08 3CT8 . COMPND 2 MOLECULE: PUTATIVE GLYOXALASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS C-125; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 133 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 15.8 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 . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 1 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 . 1 0 0 1 1 1 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 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 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 -5 A N >> 0 0 187 0, 0.0 3,-1.3 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 137.6 42.1 12.5 40.6 2 -4 A L T 34 + 0 0 139 1,-0.3 0, 0.0 2,-0.2 0, 0.0 0.593 360.0 74.7 -68.8 -11.5 43.7 15.9 40.2 3 -3 A Y T 34 S+ 0 0 94 1,-0.2 -1,-0.3 3,-0.0 4,-0.0 0.826 92.6 51.0 -71.0 -29.6 43.6 14.9 36.5 4 -2 A F T X4 S+ 0 0 47 -3,-1.3 3,-2.7 2,-0.1 -1,-0.2 0.770 83.6 123.0 -79.9 -21.7 39.9 15.5 36.4 5 -1 A Q T 3< S+ 0 0 162 -4,-0.6 3,-0.1 1,-0.3 -3,-0.0 -0.061 76.3 16.1 -49.3 126.3 40.3 18.9 37.9 6 0 A G T 3 S+ 0 0 80 1,-0.4 -1,-0.3 0, 0.0 -2,-0.1 0.170 92.2 127.4 94.9 -17.8 38.9 21.6 35.7 7 1 A X S < S- 0 0 108 -3,-2.7 -1,-0.4 1,-0.1 2,-0.2 -0.419 74.2 -98.9 -67.4 153.5 36.8 19.2 33.7 8 2 A L - 0 0 115 1,-0.2 3,-0.1 -3,-0.1 -1,-0.1 -0.530 35.0-169.4 -74.3 131.6 33.2 20.1 33.4 9 3 A H - 0 0 125 1,-0.4 43,-2.1 -2,-0.2 2,-0.3 0.792 63.4 -26.6 -91.0 -47.2 31.3 18.0 36.0 10 4 A H E -a 52 0A 96 41,-0.2 -1,-0.4 2,-0.0 2,-0.4 -0.981 47.7-141.2-165.0 164.6 27.8 18.8 34.8 11 5 A V E -a 53 0A 39 41,-1.4 43,-2.6 -2,-0.3 2,-0.5 -0.995 17.5-155.7-134.3 123.0 25.7 21.4 33.0 12 6 A E E -a 54 0A 122 -2,-0.4 2,-0.4 41,-0.2 43,-0.2 -0.898 11.9-177.5-109.9 130.4 22.1 22.2 34.1 13 7 A I E -a 55 0A 15 41,-2.7 43,-2.6 -2,-0.5 2,-0.4 -0.981 20.8-137.8-129.7 132.1 19.5 23.6 31.8 14 8 A N E -a 56 0A 100 -2,-0.4 2,-0.3 41,-0.2 43,-0.2 -0.733 25.5-159.3 -84.3 135.1 15.9 24.7 32.4 15 9 A V E -a 57 0A 0 41,-3.4 43,-3.3 -2,-0.4 3,-0.3 -0.902 20.5-137.3-123.3 150.8 13.5 23.7 29.6 16 10 A D S S+ 0 0 83 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.916 96.8 18.3 -70.3 -52.4 10.1 25.0 28.6 17 11 A H >> - 0 0 84 1,-0.2 4,-2.2 40,-0.1 3,-0.7 -0.847 69.8-162.2-129.6 98.0 8.3 21.7 27.9 18 12 A L H 3> S+ 0 0 13 -2,-0.5 4,-3.1 -3,-0.3 5,-0.3 0.854 86.1 53.5 -46.4 -50.3 10.1 18.8 29.6 19 13 A E H 3> S+ 0 0 126 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.887 112.1 43.4 -55.5 -47.2 8.4 16.0 27.5 20 14 A E H <> S+ 0 0 58 -3,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.898 115.4 49.5 -66.1 -42.7 9.3 17.6 24.2 21 15 A S H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.892 108.8 51.9 -65.5 -40.6 12.8 18.4 25.3 22 16 A I H X S+ 0 0 33 -4,-3.1 4,-1.9 -5,-0.2 -1,-0.2 0.782 105.1 57.5 -68.1 -25.2 13.4 14.9 26.6 23 17 A A H X S+ 0 0 49 -4,-1.2 4,-1.1 -5,-0.3 -1,-0.2 0.904 111.6 41.1 -70.2 -42.3 12.3 13.5 23.3 24 18 A F H X S+ 0 0 1 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.960 118.5 43.9 -71.3 -50.7 15.0 15.4 21.5 25 19 A W H X>S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.6 0.824 108.1 57.1 -68.2 -35.1 17.8 14.8 24.0 26 20 A D H X5S+ 0 0 61 -4,-1.9 4,-1.0 -5,-0.3 -1,-0.2 0.933 113.3 43.8 -59.8 -40.9 17.1 11.2 24.5 27 21 A W H X5S+ 0 0 37 -4,-1.1 4,-3.1 -5,-0.2 -2,-0.2 0.967 119.6 38.3 -68.3 -53.5 17.5 10.9 20.7 28 22 A L H X5S+ 0 0 1 -4,-2.9 4,-1.6 2,-0.2 -3,-0.2 0.942 120.9 42.8 -65.2 -51.0 20.6 13.0 20.3 29 23 A L H <>S+ 0 0 0 -4,-2.3 5,-3.1 2,-0.2 -1,-0.2 0.821 114.2 56.1 -66.5 -26.0 22.4 12.0 23.5 30 24 A G H >< -B 43 0A 117 3,-2.8 3,-0.7 -2,-0.4 -2,-0.0 -0.785 56.0 -79.7-143.4-172.3 12.1 12.3 37.8 41 35 A S T 3 S+ 0 0 112 -2,-0.2 3,-0.0 1,-0.2 -2,-0.0 0.828 127.4 31.1 -65.7 -31.6 8.9 14.2 37.5 42 36 A R T 3 S- 0 0 104 -24,-0.0 15,-2.9 1,-0.0 2,-0.3 0.227 125.3 -9.5-112.5 9.7 10.6 17.5 36.8 43 37 A G E < -BC 40 56A 1 -3,-0.7 -3,-2.8 13,-0.2 2,-0.3 -0.994 47.6-127.1-179.2-173.8 13.7 16.4 35.0 44 38 A K E -BC 39 55A 12 11,-2.6 11,-3.4 -2,-0.3 2,-0.3 -0.945 11.0-157.0-163.0 139.9 16.3 14.1 33.6 45 39 A S E - C 0 54A 7 -7,-2.5 -8,-2.8 -2,-0.3 -7,-0.4 -0.911 8.0-160.0-121.4 149.8 20.0 13.7 33.6 46 40 A Y E -BC 36 53A 2 7,-2.5 7,-2.0 -2,-0.3 2,-0.4 -0.957 8.7-141.3-129.7 146.0 22.3 11.9 31.2 47 41 A K E +BC 35 52A 25 -12,-3.5 -12,-2.5 -2,-0.3 2,-0.3 -0.892 24.1 159.2-120.9 141.9 25.9 10.5 31.5 48 42 A H E > - C 0 51A 87 3,-1.5 3,-2.3 -2,-0.4 2,-0.1 -0.880 68.4 -41.6-155.2 119.5 28.9 10.4 29.3 49 43 A G T 3 S- 0 0 65 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.394 120.5 -28.5 59.3-127.9 32.5 9.9 30.5 50 44 A K T 3 S+ 0 0 108 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.220 122.9 84.2-104.7 16.3 32.9 12.1 33.6 51 45 A T E < - C 0 48A 29 -3,-2.3 -3,-1.5 -41,-0.0 2,-0.3 -0.957 56.7-159.6-128.4 136.7 30.3 14.7 32.6 52 46 A Y E -aC 10 47A 54 -43,-2.1 -41,-1.4 -2,-0.4 2,-0.4 -0.784 8.7-149.9-111.6 153.4 26.5 14.9 33.0 53 47 A L E -aC 11 46A 10 -7,-2.0 -7,-2.5 -2,-0.3 2,-0.5 -0.996 18.3-166.1-120.7 123.2 23.9 16.9 31.3 54 48 A V E -aC 12 45A 20 -43,-2.6 -41,-2.7 -2,-0.4 2,-0.5 -0.960 5.5-167.2-120.1 126.7 20.8 17.7 33.4 55 49 A F E -aC 13 44A 1 -11,-3.4 -11,-2.6 -2,-0.5 2,-0.3 -0.969 9.4-175.8-118.5 126.2 17.5 19.1 32.1 56 50 A V E -aC 14 43A 27 -43,-2.6 -41,-3.4 -2,-0.5 2,-0.4 -0.886 31.6-104.3-124.4 145.5 14.9 20.5 34.4 57 51 A Q E -a 15 0A 29 -15,-2.9 -41,-0.2 -2,-0.3 2,-0.2 -0.527 38.5-120.9 -68.5 122.8 11.3 21.8 33.9 58 52 A T - 0 0 23 -43,-3.3 5,-0.1 -2,-0.4 -40,-0.1 -0.474 34.6-108.7 -63.5 132.7 11.2 25.6 34.0 59 53 A E > - 0 0 95 -2,-0.2 3,-2.0 3,-0.1 4,-0.4 -0.291 24.0-116.0 -64.3 147.8 8.8 26.7 36.8 60 54 A D G > S+ 0 0 112 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.938 114.8 54.1 -46.8 -58.6 5.5 28.2 35.7 61 55 A R G 3 S+ 0 0 194 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.506 114.3 44.8 -59.4 -4.1 6.2 31.6 37.1 62 56 A F G < S+ 0 0 121 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.312 78.7 96.1-123.7 4.0 9.4 31.7 35.1 63 57 A Q S < S+ 0 0 66 -3,-1.9 4,-0.1 -4,-0.4 -2,-0.1 0.660 71.1 101.5 -71.8 -14.3 8.4 30.4 31.6 64 58 A T + 0 0 119 -4,-0.3 2,-0.1 1,-0.1 -1,-0.0 -0.973 65.8 37.3-125.4 134.0 8.0 34.0 30.4 65 59 A P S S- 0 0 101 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.538 97.0-128.9 -74.9 153.6 9.9 35.6 28.8 66 60 A T - 0 0 75 1,-0.1 2,-0.1 -2,-0.1 -2,-0.1 -0.163 30.6 -82.7 -68.7 157.4 10.9 32.7 26.6 67 61 A F - 0 0 65 -4,-0.1 2,-0.4 57,-0.1 -1,-0.1 -0.374 40.3-174.8 -63.2 135.8 14.5 31.8 25.9 68 62 A H > - 0 0 93 4,-0.1 3,-2.3 -2,-0.1 57,-0.1 -0.947 19.7-150.4-135.7 114.4 16.4 33.6 23.3 69 63 A R T 3 S+ 0 0 48 -2,-0.4 4,-0.1 56,-0.3 -1,-0.0 0.530 95.7 64.0 -62.3 -7.4 20.0 32.3 22.4 70 64 A K T 3 S+ 0 0 178 2,-0.1 -1,-0.3 5,-0.0 3,-0.1 0.640 91.6 81.3 -86.9 -20.3 21.0 35.9 21.4 71 65 A R S < S- 0 0 128 -3,-2.3 -4,-0.0 1,-0.2 0, 0.0 -0.283 100.8 -67.4 -83.7 169.1 20.5 37.1 25.0 72 66 A T S S+ 0 0 157 -2,-0.1 2,-0.3 3,-0.0 -1,-0.2 -0.298 105.2 37.2 -56.7 137.8 22.9 36.8 27.9 73 67 A G S S+ 0 0 66 -3,-0.1 2,-0.1 -4,-0.1 -4,-0.0 -0.868 105.9 12.1 117.1-148.7 23.3 33.2 29.1 74 68 A L + 0 0 58 -2,-0.3 -3,-0.2 1,-0.2 3,-0.1 -0.368 46.0 164.8 -72.6 134.4 23.5 30.1 26.9 75 69 A N - 0 0 52 1,-0.3 52,-1.5 -2,-0.1 2,-0.3 0.739 63.7 -22.9-105.3 -57.0 23.9 30.3 23.1 76 70 A H E -d 127 0B 72 50,-0.2 2,-0.4 2,-0.0 -1,-0.3 -1.000 41.3-138.6-158.6 162.3 24.9 26.8 22.2 77 71 A L E -d 128 0B 28 50,-1.8 52,-2.6 -2,-0.3 2,-0.4 -0.937 22.8-162.3-117.6 139.8 26.3 23.4 23.1 78 72 A A E -d 129 0B 53 -2,-0.4 2,-0.3 50,-0.2 52,-0.2 -0.985 3.1-163.8-129.9 144.8 28.6 21.5 20.7 79 73 A F E -d 130 0B 22 50,-2.8 52,-3.1 -2,-0.4 2,-0.3 -0.869 21.8-110.1-125.6 152.2 29.6 17.9 20.7 80 74 A H E -d 131 0B 169 -2,-0.3 2,-0.3 50,-0.2 52,-0.2 -0.592 26.4-164.5 -79.3 141.7 32.3 15.7 19.2 81 75 A A - 0 0 11 50,-2.2 3,-0.1 -2,-0.3 -49,-0.0 -0.844 25.7-127.6-118.6 156.6 31.5 13.3 16.4 82 76 A A S S- 0 0 91 -2,-0.3 2,-0.3 1,-0.2 50,-0.1 0.727 83.1 -12.2 -76.3 -22.4 33.8 10.5 15.3 83 77 A S > - 0 0 38 1,-0.1 4,-1.8 50,-0.1 -1,-0.2 -0.987 67.8 -95.7-168.8 170.5 33.6 11.5 11.7 84 78 A R H > S+ 0 0 112 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.849 120.1 61.5 -65.4 -34.6 32.1 13.5 8.9 85 79 A E H > S+ 0 0 134 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.898 102.6 50.1 -58.9 -38.9 30.0 10.5 8.1 86 80 A K H > S+ 0 0 43 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.918 109.9 50.2 -67.2 -44.6 28.5 10.7 11.6 87 81 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.939 112.1 48.2 -57.5 -45.2 27.7 14.4 11.1 88 82 A D H X S+ 0 0 68 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.913 111.4 50.2 -62.8 -42.9 26.1 13.5 7.7 89 83 A E H X S+ 0 0 88 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.936 110.9 48.1 -60.4 -46.4 24.1 10.7 9.4 90 84 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.856 108.8 54.9 -63.4 -35.9 22.9 13.0 12.1 91 85 A T H X S+ 0 0 15 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.911 108.7 47.3 -63.6 -45.8 21.9 15.7 9.6 92 86 A Q H X S+ 0 0 111 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.905 112.5 49.9 -63.3 -42.7 19.8 13.2 7.7 93 87 A K H X S+ 0 0 44 -4,-2.1 4,-2.4 2,-0.2 6,-0.2 0.882 108.5 53.0 -60.9 -44.2 18.1 12.1 10.9 94 88 A L H X>S+ 0 0 0 -4,-2.5 5,-1.2 2,-0.2 4,-1.2 0.971 108.1 49.7 -56.8 -52.5 17.4 15.6 11.9 95 89 A K H ><5S+ 0 0 115 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.901 111.4 49.9 -55.8 -41.9 15.7 16.3 8.6 96 90 A E H 3<5S+ 0 0 155 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.914 113.6 42.5 -63.6 -48.8 13.5 13.2 8.9 97 91 A R H 3<5S- 0 0 105 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.536 113.7-121.1 -77.4 -3.8 12.4 13.9 12.5 98 92 A G T <<5 + 0 0 54 -4,-1.2 -3,-0.2 -3,-0.5 -4,-0.1 0.523 54.0 158.1 77.9 7.9 11.9 17.5 11.5 99 93 A D < - 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0 0 21 -3,-1.8 3,-2.1 3,-0.3 -1,-0.4 -0.462 55.1 -74.7 127.1 160.1 34.1 27.8 8.2 113 107 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.670 131.6 40.5 -60.1 -24.1 35.9 25.9 5.4 114 108 A N T 3 S+ 0 0 159 -3,-0.1 2,-0.5 1,-0.1 -5,-0.0 0.149 99.1 86.1-114.2 21.5 37.8 23.8 7.8 115 109 A H < - 0 0 59 -3,-2.1 2,-0.8 -6,-0.1 -4,-0.6 -0.890 58.9-168.6-125.0 97.1 34.9 23.3 10.3 116 110 A Y + 0 0 28 -2,-0.5 16,-3.2 16,-0.3 2,-0.3 -0.779 33.5 124.1 -94.1 108.6 32.7 20.3 9.3 117 111 A A E - F 0 131B 0 -9,-2.8 2,-0.5 -2,-0.8 -7,-0.4 -0.994 53.7-122.9-160.8 160.4 29.5 20.4 11.4 118 112 A V E - F 0 130B 0 12,-1.8 12,-1.9 -2,-0.3 2,-0.4 -0.936 22.4-160.3-111.0 134.0 25.7 20.4 11.7 119 113 A F E + F 0 129B 16 -17,-0.5 -17,-2.8 -2,-0.5 2,-0.2 -0.958 23.9 152.2-114.0 132.7 23.9 23.1 13.5 120 114 A C E -EF 101 128B 0 8,-3.1 8,-2.9 -2,-0.4 2,-0.4 -0.834 36.4-107.1-146.9-176.6 20.4 22.6 14.7 121 115 A E E - F 0 127B 35 -21,-1.8 6,-0.2 -2,-0.2 -2,-0.0 -0.972 15.8-143.0-127.2 137.9 17.8 23.6 17.4 122 116 A D > - 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