==== 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 METAL BINDING PROTEIN, HYDROLASE 20-MAR-07 2P7Q . COMPND 2 MOLECULE: GLYOXALASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR K.L.FILLGROVE,S.PAKHOMOVA,M.SCHAAB,M.E.NEWCOMER,R.N.ARMSTRON . 766 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 516 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 179 23.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 65 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 2 1 0 1 1 3 1 2 6 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 1 10 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 . 3 2 0 2 12 10 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 0 0 0 1 5 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 1 A M 0 0 149 0, 0.0 205,-0.2 0, 0.0 156,-0.1 0.000 360.0 360.0 360.0 131.1 66.1 -2.1 31.4 2 2 A I - 0 0 10 155,-0.2 203,-0.2 1,-0.1 3,-0.1 -0.347 360.0-158.9 -61.2 136.4 62.5 -2.3 30.2 3 3 A S - 0 0 62 201,-2.7 2,-0.3 1,-0.3 -1,-0.1 0.766 56.3 -80.7 -87.1 -30.1 61.4 0.9 28.3 4 4 A G E S-A 204 0A 10 200,-0.7 200,-2.5 178,-0.0 -1,-0.3 -0.981 75.5 -18.1 160.0-158.9 57.7 0.2 28.8 5 5 A L E -A 203 0A 42 -2,-0.3 198,-0.3 198,-0.2 3,-0.1 -0.595 44.9-173.5 -78.3 131.9 54.8 -1.9 27.5 6 6 A S E - 0 0 11 196,-3.2 47,-0.3 1,-0.4 2,-0.3 0.929 55.8 -57.5 -87.0 -60.9 55.4 -3.2 24.0 7 7 A H E -A 202 0A 9 195,-1.2 195,-2.8 45,-0.1 2,-0.4 -0.968 38.0-120.4-171.8 172.3 52.1 -4.8 23.2 8 8 A I E -Ab 201 54A 2 45,-1.7 47,-3.0 -2,-0.3 2,-0.6 -0.995 22.0-157.9-132.3 123.3 49.5 -7.3 24.3 9 9 A T E -Ab 200 55A 8 191,-1.9 191,-2.1 -2,-0.4 2,-0.3 -0.904 8.3-171.0-109.0 119.4 48.5 -10.2 22.0 10 10 A L E - b 0 56A 12 45,-3.0 47,-2.1 -2,-0.6 2,-0.5 -0.773 15.2-138.4-105.7 152.5 45.1 -11.9 22.5 11 11 A I E + b 0 57A 7 -2,-0.3 2,-0.3 45,-0.2 52,-0.2 -0.937 25.4 178.2-112.3 130.1 44.0 -15.1 20.8 12 12 A V E - b 0 58A 0 45,-2.8 47,-2.0 -2,-0.5 3,-0.2 -0.965 33.7-140.0-134.8 150.0 40.4 -15.4 19.5 13 13 A K S S+ 0 0 136 -2,-0.3 2,-0.6 1,-0.3 -1,-0.1 0.907 99.1 36.0 -71.8 -44.5 38.4 -18.0 17.6 14 14 A D > - 0 0 63 1,-0.2 4,-1.9 44,-0.1 -1,-0.3 -0.901 67.1-172.3-116.3 102.4 36.5 -15.4 15.4 15 15 A L H >> S+ 0 0 2 -2,-0.6 4,-2.6 -3,-0.2 3,-0.5 0.972 84.4 45.6 -56.6 -63.3 38.7 -12.5 14.3 16 16 A N H 3> S+ 0 0 74 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.828 112.3 52.7 -50.9 -38.4 36.0 -10.3 12.7 17 17 A K H 3> S+ 0 0 86 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.894 112.0 45.0 -68.3 -37.1 33.6 -10.9 15.5 18 18 A T H -C 45 0A 15 -2,-0.3 3,-1.7 12,-0.2 12,-0.2 -0.995 28.0-139.9-132.3 135.7 45.3 -6.2 9.0 34 34 A S G > S+ 0 0 9 10,-2.6 3,-0.6 -2,-0.4 11,-0.1 0.771 105.9 68.0 -65.5 -22.2 47.0 -9.3 7.7 35 35 A G G 3 S+ 0 0 59 9,-0.3 -1,-0.3 1,-0.3 10,-0.1 0.715 72.9 88.5 -67.5 -19.8 44.5 -9.1 4.9 36 36 A D G < S+ 0 0 111 -3,-1.7 2,-0.3 2,-0.0 -1,-0.3 0.249 104.1 12.5 -62.9 17.1 46.2 -5.9 3.8 37 37 A K S < S- 0 0 95 -3,-0.6 2,-0.3 3,-0.0 3,-0.1 -0.975 85.0 -92.5-177.7 171.3 48.4 -8.3 1.8 38 38 A T S S+ 0 0 92 -2,-0.3 -3,-0.0 1,-0.2 -2,-0.0 -0.764 92.5 30.0-102.3 148.9 48.8 -11.9 0.5 39 39 A F + 0 0 104 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.992 68.2 168.2 67.1 81.3 50.8 -14.6 2.3 40 40 A S - 0 0 42 -3,-0.1 -1,-0.2 1,-0.1 3,-0.1 -0.992 41.9-129.1-125.5 130.0 50.5 -13.9 6.0 41 41 A L S S- 0 0 112 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.852 89.1 -6.8 -44.0 -41.6 51.5 -16.5 8.7 42 42 A S S S- 0 0 33 -3,-0.1 2,-0.6 2,-0.0 -1,-0.1 -0.988 80.4 -89.2-155.6 163.6 48.1 -16.0 10.3 43 43 A K + 0 0 100 -2,-0.3 15,-2.2 15,-0.2 2,-0.3 -0.638 65.3 142.9 -77.2 117.0 45.0 -14.0 10.3 44 44 A E E - D 0 57A 31 -2,-0.6 -10,-2.6 13,-0.2 2,-0.3 -0.996 35.2-155.2-156.8 161.4 45.5 -11.0 12.5 45 45 A K E -CD 33 56A 10 11,-2.4 11,-3.0 -2,-0.3 2,-0.4 -0.985 9.7-147.5-140.0 148.9 44.9 -7.4 13.3 46 46 A F E -CD 32 55A 9 -14,-2.5 -15,-3.1 -2,-0.3 -14,-1.3 -0.945 19.8-178.2-116.4 136.4 46.6 -4.6 15.3 47 47 A F E -CD 30 54A 0 7,-3.2 7,-2.3 -2,-0.4 2,-0.5 -0.881 25.3-132.4-131.4 163.8 44.8 -1.8 17.0 48 48 A L E -CD 29 53A 51 -19,-1.4 -19,-2.4 -2,-0.3 2,-0.5 -0.981 23.0-178.8-114.5 121.4 45.6 1.3 19.1 49 49 A I E > S- D 0 52A 3 3,-2.6 3,-1.6 -2,-0.5 -21,-0.1 -0.928 73.7 -36.6-124.4 103.3 43.6 1.6 22.2 50 50 A A T 3 S- 0 0 41 -2,-0.5 2,-1.0 1,-0.3 86,-0.4 0.941 125.2 -42.4 46.6 59.8 44.4 4.7 24.2 51 51 A G T 3 S+ 0 0 72 1,-0.2 -1,-0.3 84,-0.1 84,-0.1 -0.198 114.2 118.2 86.3 -45.8 48.1 4.5 23.3 52 52 A L E < - D 0 49A 15 -3,-1.6 -3,-2.6 -2,-1.0 2,-0.9 -0.276 62.9-133.6 -62.5 136.7 48.3 0.7 23.9 53 53 A W E - D 0 48A 12 -47,-0.3 -45,-1.7 -5,-0.2 2,-0.4 -0.794 28.2-171.5 -92.6 102.0 49.2 -1.5 20.9 54 54 A I E -bD 8 47A 8 -7,-2.3 -7,-3.2 -2,-0.9 2,-0.4 -0.834 4.8-162.0-100.1 131.7 46.7 -4.5 21.0 55 55 A C E -bD 9 46A 5 -47,-3.0 -45,-3.0 -2,-0.4 2,-0.5 -0.931 2.7-165.2-116.0 135.9 47.1 -7.5 18.7 56 56 A I E -bD 10 45A 1 -11,-3.0 -11,-2.4 -2,-0.4 2,-0.4 -0.978 8.5-178.6-121.8 126.1 44.4 -10.0 17.8 57 57 A M E -bD 11 44A 36 -47,-2.1 -45,-2.8 -2,-0.5 2,-0.4 -0.954 25.1-124.4-123.9 144.7 45.2 -13.3 16.2 58 58 A E E +b 12 0A 56 -15,-2.2 2,-0.3 -2,-0.4 -45,-0.2 -0.725 49.0 131.5 -91.8 133.9 42.8 -16.1 15.2 59 59 A G - 0 0 29 -47,-2.0 -2,-0.0 -2,-0.4 -17,-0.0 -0.974 61.8-111.6-167.5 170.6 43.4 -19.5 16.6 60 60 A D S S+ 0 0 161 -2,-0.3 -47,-0.1 2,-0.0 -1,-0.0 0.606 75.7 114.8 -89.0 -14.8 41.7 -22.5 18.3 61 61 A S - 0 0 44 -49,-0.1 2,-0.4 1,-0.0 -2,-0.1 -0.344 46.7-169.0 -59.4 132.1 43.4 -22.0 21.6 62 62 A L - 0 0 99 -50,-0.1 2,-0.3 -2,-0.0 52,-0.1 -0.993 10.9-145.3-129.3 127.7 40.9 -21.1 24.4 63 63 A Q - 0 0 32 50,-0.5 2,-0.1 -2,-0.4 3,-0.1 -0.702 22.5-117.4 -91.9 140.9 41.9 -19.9 27.8 64 64 A E - 0 0 49 -2,-0.3 2,-0.1 1,-0.1 131,-0.1 -0.467 44.3 -89.1 -73.6 147.8 39.7 -20.9 30.8 65 65 A R + 0 0 103 -2,-0.1 2,-0.3 50,-0.1 -1,-0.1 -0.379 62.0 157.9 -62.1 128.4 38.1 -17.9 32.7 66 66 A T - 0 0 39 48,-0.4 50,-0.2 2,-0.3 126,-0.0 -0.880 55.8-102.4-142.9 173.2 40.4 -16.5 35.4 67 67 A Y S S+ 0 0 51 -2,-0.3 2,-0.2 2,-0.1 73,-0.1 0.457 81.4 118.2 -81.8 1.0 40.9 -13.3 37.4 68 68 A N + 0 0 24 74,-0.1 48,-0.5 71,-0.1 2,-0.3 -0.524 47.3 162.9 -64.6 130.7 43.8 -12.5 35.2 69 69 A H E -gH 116 140B 6 71,-1.9 71,-2.5 -2,-0.2 2,-0.4 -0.982 43.0-130.9-152.6 164.2 42.8 -9.2 33.5 70 70 A I E -gH 117 139B 19 46,-1.4 48,-0.9 -2,-0.3 2,-0.4 -0.906 28.8-155.9-112.2 141.4 43.8 -6.1 31.7 71 71 A A E -gH 118 138B 0 67,-2.2 66,-3.1 -2,-0.4 67,-1.6 -0.982 5.6-160.3-129.5 130.0 42.4 -2.8 32.9 72 72 A F E -gH 119 136B 2 46,-3.0 48,-3.2 -2,-0.4 2,-0.4 -0.740 25.0-112.2-104.5 154.5 41.8 0.5 31.1 73 73 A Q E +gH 120 135B 30 62,-3.7 61,-2.3 -2,-0.3 62,-0.6 -0.679 41.2 159.6 -89.4 132.6 41.5 3.9 32.7 74 74 A I - 0 0 0 46,-2.7 48,-0.3 -2,-0.4 2,-0.2 -0.892 37.1-103.8-140.9 171.4 38.2 5.8 32.6 75 75 A Q > - 0 0 75 -2,-0.3 3,-0.8 46,-0.2 4,-0.2 -0.603 27.2-116.4 -98.3 162.4 36.7 8.6 34.6 76 76 A S G > S+ 0 0 67 1,-0.2 3,-0.9 -2,-0.2 4,-0.4 0.776 113.9 59.3 -66.7 -28.2 34.0 8.3 37.3 77 77 A E G 3 S+ 0 0 147 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.749 104.7 52.0 -72.4 -23.1 31.5 10.3 35.2 78 78 A E G <> S+ 0 0 26 -3,-0.8 4,-2.2 1,-0.2 5,-0.3 0.371 80.8 93.9 -94.5 2.9 31.8 7.8 32.4 79 79 A V H <> S+ 0 0 2 -3,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.956 88.4 44.2 -61.2 -50.2 31.1 4.7 34.5 80 80 A D H > S+ 0 0 110 -4,-0.4 4,-1.4 -3,-0.2 -1,-0.2 0.937 112.2 53.6 -59.2 -46.6 27.4 4.7 33.7 81 81 A E H > S+ 0 0 27 -4,-0.4 4,-2.6 1,-0.2 3,-0.5 0.911 109.7 45.7 -56.2 -48.6 27.9 5.4 30.0 82 82 A Y H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.836 110.3 55.3 -64.4 -31.4 30.3 2.5 29.5 83 83 A T H X S+ 0 0 40 -4,-1.7 4,-1.4 -5,-0.3 -1,-0.3 0.762 110.0 47.1 -71.8 -24.0 27.9 0.3 31.5 84 84 A E H X S+ 0 0 48 -4,-1.4 4,-2.9 -3,-0.5 -2,-0.2 0.905 112.4 48.5 -80.3 -44.9 25.2 1.3 29.0 85 85 A R H < S+ 0 0 9 -4,-2.6 4,-0.3 2,-0.2 -2,-0.2 0.841 114.6 45.5 -62.6 -37.8 27.5 0.7 26.0 86 86 A I H ><>S+ 0 0 0 -4,-2.3 3,-1.7 2,-0.2 5,-1.5 0.948 114.3 48.0 -70.6 -50.3 28.5 -2.8 27.3 87 87 A K H ><5S+ 0 0 115 -4,-1.4 3,-2.2 1,-0.3 -2,-0.2 0.894 104.6 61.3 -56.2 -42.6 24.9 -3.7 28.2 88 88 A A T 3<5S+ 0 0 19 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.602 104.8 48.3 -63.6 -11.6 23.7 -2.5 24.8 89 89 A L T < 5S- 0 0 22 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.234 109.7-123.2-111.1 10.8 25.9 -5.1 23.1 90 90 A G T < 5 + 0 0 39 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.741 54.9 156.1 55.7 26.2 24.7 -7.9 25.3 91 91 A V < - 0 0 15 -5,-1.5 -1,-0.2 1,-0.1 2,-0.1 -0.623 51.5 -98.4 -83.9 145.6 28.2 -8.8 26.5 92 92 A E - 0 0 94 -2,-0.3 18,-1.5 19,-0.2 2,-0.4 -0.399 39.2-164.1 -64.2 132.8 28.5 -10.5 29.9 93 93 A M B -I 109 0B 57 16,-0.2 16,-0.3 -2,-0.1 -1,-0.0 -0.983 14.5-131.9-121.9 127.4 29.3 -8.2 32.9 94 94 A K - 0 0 82 14,-1.0 14,-0.4 -2,-0.4 3,-0.1 -0.242 35.7 -99.1 -68.6 162.1 30.5 -9.4 36.3 95 95 A P - 0 0 108 0, 0.0 -1,-0.1 0, 0.0 13,-0.1 -0.319 55.7 -66.9 -78.3 169.1 28.7 -8.0 39.4 96 96 A E - 0 0 107 1,-0.1 11,-0.1 11,-0.1 3,-0.0 -0.335 54.9-134.6 -57.8 128.5 30.1 -5.2 41.5 97 97 A R - 0 0 114 9,-0.2 9,-0.1 -3,-0.1 2,-0.1 -0.624 30.9 -90.7 -86.6 144.0 33.2 -6.4 43.2 98 98 A P - 0 0 116 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.341 51.1-164.3 -58.2 126.2 33.7 -5.6 47.0 99 99 A R - 0 0 126 -2,-0.1 5,-0.1 4,-0.0 6,-0.0 -0.186 23.3-129.7 -99.7-169.3 35.6 -2.2 47.4 100 100 A V - 0 0 94 3,-0.1 4,-0.1 -2,-0.1 0, 0.0 -0.274 50.3 -97.3-143.2 53.3 37.4 -0.4 50.3 101 101 A Q S S+ 0 0 208 1,-0.2 3,-0.1 2,-0.1 0, 0.0 0.836 121.1 44.5 27.7 83.7 36.1 3.1 50.5 102 102 A G S S+ 0 0 31 1,-0.4 2,-0.6 25,-0.0 -1,-0.2 0.263 86.3 106.6 135.4 1.0 38.8 4.9 48.5 103 103 A E S S- 0 0 39 19,-0.1 -1,-0.4 24,-0.1 -2,-0.1 -0.952 72.7-124.6-108.1 116.7 38.9 2.3 45.7 104 104 A G - 0 0 19 -2,-0.6 18,-0.1 19,-0.3 -4,-0.1 -0.080 32.4 -85.0 -60.1 163.3 37.2 3.7 42.6 105 105 A R - 0 0 79 15,-0.1 16,-2.5 -6,-0.0 2,-0.3 -0.299 47.1-164.2 -67.1 152.0 34.3 2.0 40.8 106 106 A S E - J 0 120B 24 14,-0.2 2,-0.4 -9,-0.1 14,-0.2 -0.963 16.6-149.6-138.2 156.5 35.1 -0.7 38.2 107 107 A I E - J 0 119B 12 12,-1.3 12,-2.0 -2,-0.3 2,-0.4 -0.994 17.5-168.6-125.9 121.6 33.3 -2.5 35.3 108 108 A Y E + J 0 118B 20 -2,-0.4 -14,-1.0 -14,-0.4 2,-0.3 -0.873 19.2 143.5-111.7 147.6 34.3 -6.1 34.6 109 109 A F E -IJ 93 117B 0 8,-1.8 8,-3.0 -2,-0.4 -16,-0.2 -0.976 35.8-116.4-171.8 161.6 33.3 -8.0 31.5 110 110 A Y E - J 0 116B 11 -18,-1.5 6,-0.2 -2,-0.3 2,-0.1 -0.583 10.8-140.6-107.3 170.6 34.4 -10.6 28.9 111 111 A D - 0 0 12 4,-0.5 3,-0.4 -2,-0.2 -19,-0.2 -0.037 54.2 -80.2-100.3-146.9 35.0 -10.6 25.2 112 112 A F S S+ 0 0 67 1,-0.2 -99,-0.1 -2,-0.1 -94,-0.0 0.472 124.4 55.8-100.3 -0.7 33.9 -13.7 23.3 113 113 A D S S- 0 0 6 2,-0.1 -50,-0.5 -101,-0.0 -1,-0.2 -0.198 119.9 -91.2-123.9 42.7 37.0 -15.7 24.2 114 114 A N S S+ 0 0 33 -3,-0.4 2,-0.8 1,-0.2 -48,-0.4 0.757 74.0 149.6 58.9 25.8 37.2 -15.6 28.0 115 115 A H - 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