==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-OCT-04 1XQA . COMPND 2 MOLECULE: GLYOXALASE/BLEOMYCIN RESISTANCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS ATCC 14579; . AUTHOR M.E.CUFF,H.LI,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL GEN . 223 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13393.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 20.6 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 . 6 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 23 10.3 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 . 46 20.6 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+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 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 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 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 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 0 A A 0 0 157 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.9 8.3 -9.6 36.2 2 1 A X - 0 0 173 1,-0.2 2,-0.0 0, 0.0 0, 0.0 0.438 360.0-151.5 -87.7 -3.7 8.9 -9.4 32.5 3 2 A G - 0 0 62 2,-0.0 2,-0.6 1,-0.0 -1,-0.2 -0.239 40.3 -13.2 79.6-153.0 9.2 -5.6 32.4 4 3 A I + 0 0 141 1,-0.1 3,-0.1 -2,-0.0 -1,-0.0 -0.818 59.0 147.8-102.7 117.6 8.4 -3.0 29.8 5 4 A K + 0 0 121 -2,-0.6 42,-2.5 1,-0.2 2,-0.3 0.353 56.4 51.7-132.1 2.2 7.9 -4.4 26.3 6 5 A H E -a 47 0A 105 40,-0.2 2,-0.4 42,-0.1 42,-0.2 -0.998 45.8-179.7-145.2 139.4 5.4 -2.0 24.6 7 6 A L E -a 48 0A 54 40,-2.1 42,-2.5 -2,-0.3 2,-0.7 -0.989 14.3-156.7-132.0 126.8 4.9 1.7 24.0 8 7 A N E -a 49 0A 62 -2,-0.4 2,-0.7 40,-0.2 42,-0.2 -0.937 19.4-165.3 -98.6 109.1 1.9 3.1 22.2 9 8 A L E -a 50 0A 2 40,-3.1 42,-2.0 -2,-0.7 2,-0.3 -0.883 11.1-143.4-103.1 109.3 3.2 6.4 21.0 10 9 A T E -a 51 0A 53 -2,-0.7 2,-0.3 40,-0.2 42,-0.2 -0.564 28.9-178.2 -69.4 131.6 0.5 8.9 19.8 11 10 A V E -a 52 0A 0 40,-2.8 42,-2.3 -2,-0.3 3,-0.2 -0.934 40.1-130.4-133.9 159.5 1.8 10.9 16.8 12 11 A A S S+ 0 0 56 93,-2.2 2,-0.3 -2,-0.3 94,-0.1 0.765 104.0 17.9 -72.5 -28.2 0.8 13.6 14.5 13 12 A D > - 0 0 74 1,-0.1 4,-2.0 38,-0.1 -1,-0.3 -0.865 60.2-170.7-154.3 106.7 1.8 11.6 11.4 14 13 A V H > S+ 0 0 6 21,-0.5 4,-3.2 -2,-0.3 5,-0.2 0.911 89.4 53.8 -67.1 -45.4 2.3 7.9 11.5 15 14 A V H > S+ 0 0 80 20,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.916 112.4 44.0 -55.4 -47.7 3.8 7.7 8.0 16 15 A A H > S+ 0 0 16 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.884 114.4 48.7 -67.2 -43.0 6.5 10.3 8.8 17 16 A A H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.925 112.0 51.0 -62.7 -44.9 7.3 8.9 12.2 18 17 A R H X S+ 0 0 27 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.924 109.6 47.3 -57.3 -49.5 7.7 5.4 10.7 19 18 A E H X S+ 0 0 108 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.883 112.3 50.3 -68.0 -34.9 10.0 6.4 7.9 20 19 A F H X>S+ 0 0 4 -4,-1.8 4,-2.6 2,-0.2 5,-0.5 0.928 111.6 48.1 -63.6 -45.8 12.2 8.3 10.3 21 20 A L H X5S+ 0 0 0 -4,-2.3 6,-1.7 1,-0.2 4,-1.3 0.870 114.0 47.9 -66.7 -36.1 12.4 5.4 12.7 22 21 A E H X5S+ 0 0 12 -4,-2.5 4,-0.9 4,-0.2 -2,-0.2 0.951 116.0 42.6 -64.6 -50.6 13.3 3.0 9.8 23 22 A K H <5S+ 0 0 87 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.934 128.4 23.1 -65.4 -49.8 15.9 5.2 8.3 24 23 A Y H <5S+ 0 0 30 -4,-2.6 -3,-0.2 -5,-0.2 -1,-0.2 0.730 132.3 31.5 -95.7 -24.2 17.8 6.4 11.4 25 24 A F H <> -B 37 0A 163 4,-2.1 3,-1.7 -2,-0.3 4,-1.0 -0.876 69.5 -70.2-127.7 101.7 -4.0 -0.1 9.6 34 33 A G T 34 S- 0 0 67 -2,-0.4 -1,-0.3 1,-0.3 3,-0.1 -0.245 96.0 -41.8 48.9-132.1 -4.2 2.5 6.8 35 34 A N T 34 S+ 0 0 95 1,-0.1 -21,-0.5 -3,-0.1 -20,-0.3 0.293 130.4 78.2-102.7 4.9 -2.4 5.6 7.8 36 35 A A T <4 S+ 0 0 22 -3,-1.7 16,-2.9 1,-0.2 2,-0.3 0.695 98.6 20.4 -87.7 -19.6 -3.7 5.5 11.4 37 36 A F E < -BC 33 51A 48 -4,-1.0 -4,-2.1 14,-0.2 2,-0.3 -0.996 51.8-179.8-159.7 136.9 -1.5 2.9 12.9 38 37 A A E -BC 32 50A 0 12,-2.0 12,-2.9 -2,-0.3 2,-0.6 -0.993 20.1-142.4-142.6 138.1 1.9 1.1 12.5 39 38 A V E -BC 31 49A 29 -8,-3.1 -9,-3.1 -2,-0.3 -8,-0.8 -0.914 23.3-171.1-103.1 116.3 3.5 -1.6 14.6 40 39 A X E -BC 29 48A 0 8,-2.6 8,-2.4 -2,-0.6 2,-0.3 -0.817 2.7-164.9-106.8 150.0 7.3 -1.1 14.8 41 40 A R E -BC 28 47A 106 -13,-1.9 -13,-2.3 -2,-0.3 6,-0.2 -0.972 6.7-150.4-131.1 144.2 9.8 -3.6 16.3 42 41 A D > - 0 0 61 4,-1.5 3,-1.4 -2,-0.3 -16,-0.1 -0.485 42.3 -91.0 -99.4-177.6 13.4 -3.3 17.4 43 42 A N T 3 S+ 0 0 171 1,-0.3 -17,-0.0 -2,-0.2 -16,-0.0 0.714 124.2 52.3 -67.4 -23.0 16.0 -6.0 17.4 44 43 A D T 3 S- 0 0 148 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.311 120.6-101.4 -96.2 3.6 15.2 -7.1 21.0 45 44 A G < + 0 0 23 -3,-1.4 2,-0.1 1,-0.3 -2,-0.1 0.555 66.9 153.1 88.1 6.4 11.4 -7.5 20.4 46 45 A F - 0 0 58 1,-0.1 -4,-1.5 -40,-0.0 2,-0.6 -0.504 38.6-138.0 -64.5 139.1 10.3 -4.3 22.0 47 46 A I E -aC 6 41A 43 -42,-2.5 -40,-2.1 -6,-0.2 2,-0.6 -0.908 21.8-178.0-107.2 114.3 7.0 -3.2 20.3 48 47 A L E -aC 7 40A 10 -8,-2.4 -8,-2.6 -2,-0.6 2,-0.4 -0.925 8.8-166.0-109.4 107.1 6.5 0.5 19.5 49 48 A T E -aC 8 39A 8 -42,-2.5 -40,-3.1 -2,-0.6 2,-0.5 -0.790 7.4-151.0 -94.5 137.1 3.1 1.2 18.0 50 49 A L E -aC 9 38A 0 -12,-2.9 -12,-2.0 -2,-0.4 2,-0.4 -0.925 16.1-173.5-106.3 129.0 2.6 4.5 16.4 51 50 A X E -aC 10 37A 75 -42,-2.0 -40,-2.8 -2,-0.5 -14,-0.2 -0.986 24.9-120.3-131.2 124.9 -1.0 5.8 16.5 52 51 A K E +a 11 0A 91 -16,-2.9 2,-0.3 -2,-0.4 -40,-0.2 -0.377 40.3 172.8 -60.4 135.5 -2.4 8.9 14.8 53 52 A G - 0 0 15 -42,-2.3 2,-0.4 -2,-0.1 3,-0.3 -0.924 30.8-111.3-137.7 167.1 -3.8 11.4 17.2 54 53 A K S S+ 0 0 153 -2,-0.3 -42,-0.0 1,-0.2 -44,-0.0 -0.821 92.7 0.6-101.0 141.0 -5.2 14.9 17.1 55 54 A E S S- 0 0 194 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.917 84.5-162.9 51.6 56.0 -3.4 17.8 18.7 56 55 A V + 0 0 27 -3,-0.3 2,-0.3 49,-0.1 -1,-0.2 -0.552 19.8 160.1 -79.2 121.1 -0.6 15.7 19.9 57 56 A Q - 0 0 159 -2,-0.4 50,-0.1 -46,-0.0 -47,-0.1 -0.995 19.0-161.1-141.5 135.0 1.7 17.3 22.6 58 57 A Y - 0 0 42 -2,-0.3 -2,-0.0 48,-0.3 48,-0.0 -0.818 38.5 -88.1-108.6 153.8 4.1 15.7 25.0 59 58 A P > - 0 0 71 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.304 47.1-110.5 -54.6 148.3 5.5 17.1 28.2 60 59 A K T 3 S+ 0 0 179 1,-0.3 -2,-0.0 -3,-0.0 48,-0.0 0.825 115.9 43.7 -57.0 -37.2 8.7 19.0 27.5 61 60 A T T 3 S+ 0 0 116 2,-0.0 -1,-0.3 47,-0.0 2,-0.2 0.422 85.2 118.0 -92.0 2.7 11.0 16.5 29.1 62 61 A F < + 0 0 60 -3,-1.9 46,-0.4 47,-0.0 2,-0.3 -0.473 38.4 155.3 -66.1 135.2 9.3 13.4 27.7 63 62 A H - 0 0 72 -2,-0.2 2,-0.5 44,-0.1 46,-0.2 -0.989 40.7-131.8-157.1 160.9 11.6 11.3 25.4 64 63 A V E -d 109 0B 26 44,-1.8 46,-2.9 -2,-0.3 2,-0.4 -0.962 30.6-143.2-111.3 129.3 12.3 7.9 24.0 65 64 A G E -d 110 0B 34 -2,-0.5 46,-0.2 44,-0.2 35,-0.0 -0.801 17.5-171.3-108.7 135.5 15.9 6.7 24.2 66 65 A F E -d 111 0B 32 44,-2.8 46,-0.9 -2,-0.4 -2,-0.0 -0.862 20.4-152.3-119.4 90.4 18.0 4.6 21.8 67 66 A P E -d 112 0B 90 0, 0.0 2,-0.3 0, 0.0 46,-0.2 -0.294 9.7-145.5 -65.9 149.5 21.3 3.6 23.4 68 67 A Q - 0 0 47 44,-2.9 3,-0.1 1,-0.1 6,-0.0 -0.779 19.1-124.3-117.5 159.8 24.3 2.9 21.2 69 68 A E S S+ 0 0 183 -2,-0.3 2,-0.3 1,-0.1 44,-0.1 0.703 91.3 7.5 -74.8 -21.2 27.2 0.5 21.4 70 69 A S S > S- 0 0 42 42,-0.1 4,-1.3 1,-0.1 3,-0.1 -0.980 70.1-111.7-154.5 163.3 29.8 3.3 21.2 71 70 A E H > S+ 0 0 82 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.814 116.6 61.0 -68.7 -29.8 30.3 7.1 21.3 72 71 A E H > S+ 0 0 145 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.877 103.0 51.1 -62.2 -37.6 31.4 6.8 17.6 73 72 A Q H > S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.856 107.5 52.1 -69.5 -35.5 28.0 5.5 16.8 74 73 A V H X S+ 0 0 0 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.933 110.1 49.6 -61.1 -47.7 26.3 8.4 18.6 75 74 A D H X S+ 0 0 69 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.869 108.3 53.7 -57.5 -42.6 28.4 10.8 16.5 76 75 A K H X S+ 0 0 31 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.933 109.9 44.8 -63.0 -49.2 27.5 9.0 13.3 77 76 A I H X S+ 0 0 19 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.905 115.0 50.1 -61.6 -44.5 23.7 9.3 13.9 78 77 A N H X S+ 0 0 15 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.942 112.0 47.2 -53.4 -52.7 24.1 12.9 14.9 79 78 A Q H X S+ 0 0 69 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.918 113.8 47.4 -59.3 -44.7 26.2 13.7 11.8 80 79 A R H X S+ 0 0 23 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.903 111.3 49.9 -68.7 -39.9 23.7 12.0 9.5 81 80 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 -5,-0.2 -2,-0.2 0.943 112.5 48.5 -60.7 -47.1 20.7 13.7 11.0 82 81 A K H ><5S+ 0 0 142 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.932 112.2 47.7 -56.8 -51.4 22.5 17.1 10.7 83 82 A E H 3<5S+ 0 0 74 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.768 109.2 55.5 -60.9 -28.3 23.4 16.5 7.0 84 83 A D T 3<5S- 0 0 36 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.323 126.6 -96.9 -92.8 6.3 19.9 15.4 6.3 85 84 A G T < 5S+ 0 0 59 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.564 77.6 134.6 96.9 9.6 18.4 18.6 7.6 86 85 A F < - 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