==== 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 27-JUL-07 2QQZ . COMPND 2 MOLECULE: GLYOXALASE FAMILY PROTEIN, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS STR.; . AUTHOR Y.KIM,G.JOACHIMIAK,R.WU,S.PATTERSON,P.GORNICKI,A.JOACHIMIAK, . 245 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 24.9 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 17 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 4.1 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 2 0 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 2 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 PARALLEL BRIDGES PER LADDER . 0 0 4 0 3 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 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 1 A X 0 0 112 0, 0.0 154,-0.0 0, 0.0 153,-0.0 0.000 360.0 360.0 360.0 135.3 -24.2 45.5 4.0 2 2 A R - 0 0 173 1,-0.1 2,-0.9 2,-0.0 0, 0.0 -0.076 360.0-102.8 -65.6 171.5 -21.6 45.5 1.2 3 3 A N + 0 0 129 1,-0.2 -1,-0.1 3,-0.0 199,-0.1 -0.772 53.5 155.6-106.3 87.7 -18.1 44.2 1.8 4 4 A Y + 0 0 15 -2,-0.9 198,-2.7 151,-0.3 2,-0.4 0.792 43.8 91.3 -83.0 -34.2 -16.0 47.3 2.3 5 5 A I E +A 201 0A 20 150,-0.3 172,-0.4 196,-0.2 196,-0.2 -0.512 46.7 178.0 -76.5 124.5 -13.1 45.9 4.3 6 6 A Q E - 0 0 84 194,-3.3 172,-0.5 -2,-0.4 2,-0.3 0.685 52.1 -68.1-100.8 -20.1 -10.2 44.6 2.1 7 7 A G E -A 200 0A 5 193,-0.8 193,-2.4 170,-0.2 2,-0.6 -0.949 66.6 -49.2 155.5-179.3 -7.6 43.4 4.6 8 8 A I E -A 199 0A 4 168,-0.3 191,-0.3 -2,-0.3 124,-0.2 -0.822 40.9-172.6 -84.9 121.0 -5.2 44.7 7.3 9 9 A D E - 0 0 30 189,-2.6 47,-1.0 -2,-0.6 2,-0.3 0.895 64.7 -33.1 -76.4 -45.4 -3.2 47.5 5.9 10 10 A H E -Ab 198 56A 1 188,-1.5 188,-2.8 45,-0.2 2,-0.4 -0.978 51.3-122.0-163.4 166.6 -0.9 47.7 8.9 11 11 A V E -Ab 197 57A 5 45,-1.3 47,-2.9 -2,-0.3 2,-0.6 -0.974 20.2-141.2-117.8 138.7 -0.5 47.3 12.6 12 12 A Q E -Ab 196 58A 26 184,-3.1 184,-1.4 -2,-0.4 2,-0.4 -0.910 17.8-169.1 -99.7 119.4 0.6 50.1 14.9 13 13 A V E - b 0 59A 8 45,-2.7 47,-2.6 -2,-0.6 2,-0.2 -0.901 18.4-130.9-107.8 133.2 2.9 48.8 17.7 14 14 A A E + b 0 60A 7 -2,-0.4 47,-0.2 45,-0.2 54,-0.2 -0.526 30.8 165.7 -89.8 159.2 3.6 51.3 20.5 15 15 A A E - b 0 61A 0 45,-1.6 47,-3.0 -2,-0.2 50,-0.1 -0.959 37.1 -88.2-160.3 160.3 7.1 52.1 21.9 16 16 A P > - 0 0 48 0, 0.0 3,-1.5 0, 0.0 47,-0.2 -0.347 53.6 -80.0 -76.0 167.1 8.6 54.8 24.1 17 17 A V T 3 S+ 0 0 104 45,-0.4 29,-0.1 1,-0.2 43,-0.0 -0.312 120.6 28.8 -56.3 140.6 10.0 58.1 23.0 18 18 A G T > S+ 0 0 56 -3,-0.1 3,-0.5 1,-0.0 4,-0.3 0.530 82.1 127.6 85.6 9.4 13.6 57.6 21.7 19 19 A C T <> + 0 0 2 -3,-1.5 4,-2.8 1,-0.2 5,-0.2 0.555 37.0 97.4 -76.3 -10.3 12.8 54.0 20.5 20 20 A E H 3> S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.820 82.0 47.4 -59.6 -41.5 14.0 54.4 16.9 21 21 A E H <> S+ 0 0 165 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.968 117.5 42.3 -62.8 -52.6 17.5 52.9 17.2 22 22 A E H > S+ 0 0 110 -4,-0.3 4,-1.9 1,-0.2 5,-0.2 0.848 113.5 53.2 -61.4 -37.5 16.3 49.9 19.2 23 23 A A H X>S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.7 0.931 111.1 45.6 -65.4 -45.1 13.3 49.4 16.9 24 24 A R H X>S+ 0 0 108 -4,-2.4 5,-2.4 -5,-0.2 4,-1.1 0.908 110.5 54.9 -64.3 -41.6 15.6 49.4 13.8 25 25 A A H <>S+ 0 0 54 -4,-2.7 5,-2.3 3,-0.2 -1,-0.2 0.897 121.6 28.5 -58.6 -38.2 18.0 47.0 15.5 26 26 A F H <>S+ 0 0 11 -4,-1.9 5,-2.7 3,-0.2 6,-0.4 0.967 128.4 34.4 -90.4 -58.2 15.2 44.5 16.2 27 27 A Y H <5S+ 0 0 3 -4,-2.7 6,-2.5 -5,-0.2 -3,-0.2 0.854 132.4 30.5 -66.5 -35.7 12.5 44.9 13.5 28 28 A G T X> - 0 0 36 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.274 42.3-116.5 -52.2 142.5 5.4 60.5 5.1 40 40 A E G >4 S+ 0 0 140 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.869 113.7 56.9 -50.3 -42.5 7.2 63.8 5.5 41 41 A E G 34 S+ 0 0 127 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.580 108.8 47.6 -68.8 -14.9 4.3 65.3 7.5 42 42 A L G X4 S+ 0 0 7 -3,-1.8 3,-1.3 1,-0.1 4,-0.3 0.423 82.1 94.8-106.6 -4.9 4.6 62.5 10.1 43 43 A K G X< S+ 0 0 128 -3,-1.3 3,-2.2 -4,-0.5 -2,-0.1 0.891 79.0 59.8 -50.8 -46.7 8.4 62.6 10.6 44 44 A K G 3 S+ 0 0 188 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.646 92.1 68.4 -65.7 -15.1 8.1 64.8 13.6 45 45 A R G < S- 0 0 139 -3,-1.3 16,-0.3 1,-0.2 -1,-0.3 0.618 98.5-140.5 -76.5 -12.9 6.0 62.2 15.5 46 46 A G < + 0 0 16 -3,-2.2 15,-0.3 -4,-0.3 -1,-0.2 -0.106 53.2 94.1 76.4 176.2 9.1 59.9 15.7 47 47 A G - 0 0 9 13,-0.2 2,-0.3 -31,-0.1 13,-0.2 -0.342 60.9-105.4 96.0-179.6 9.0 56.1 15.3 48 48 A C E - D 0 59A 0 11,-1.4 11,-3.7 -2,-0.1 2,-0.4 -0.977 11.5-136.1-149.9 161.2 9.6 53.9 12.2 49 49 A W E -CD 36 58A 12 -13,-0.7 -13,-2.5 -2,-0.3 2,-0.3 -0.929 16.1-168.5-121.6 142.7 7.8 51.8 9.6 50 50 A F E -CD 35 57A 1 7,-2.4 7,-2.5 -2,-0.4 2,-0.4 -0.966 19.9-124.1-134.1 143.0 8.9 48.4 8.3 51 51 A K E +CD 34 56A 90 -17,-2.9 -17,-0.8 -2,-0.3 2,-0.3 -0.744 24.5 176.0 -85.8 133.7 7.6 46.5 5.3 52 52 A C E > - D 0 55A 2 3,-3.0 3,-2.6 -2,-0.4 80,-0.4 -0.833 62.5 -65.6-131.8 97.8 6.2 42.9 5.6 53 53 A G T 3 S- 0 0 26 76,-0.4 -1,-0.2 -2,-0.3 78,-0.2 -0.343 116.0 -16.9 62.2-136.9 4.8 41.6 2.4 54 54 A N T 3 S+ 0 0 153 76,-0.5 -1,-0.3 -3,-0.1 2,-0.2 0.380 133.2 70.4 -83.2 5.3 1.8 43.6 1.3 55 55 A Q E < - D 0 52A 20 -3,-2.6 -3,-3.0 75,-0.1 2,-0.3 -0.621 67.0-146.5-114.0 176.0 1.5 44.9 4.8 56 56 A E E -bD 10 51A 48 -47,-1.0 -45,-1.3 -5,-0.3 2,-0.4 -0.943 8.3-142.6-133.9 158.1 3.5 47.2 7.2 57 57 A I E -bD 11 50A 0 -7,-2.5 -7,-2.4 -2,-0.3 2,-0.6 -0.998 17.9-158.1-119.1 129.9 4.3 47.5 10.9 58 58 A H E -bD 12 49A 4 -47,-2.9 -45,-2.7 -2,-0.4 2,-0.8 -0.945 4.6-153.7-111.3 118.2 4.3 51.0 12.2 59 59 A I E -bD 13 48A 0 -11,-3.7 -11,-1.4 -2,-0.6 2,-0.4 -0.840 21.0-166.4 -91.0 111.6 6.3 51.6 15.4 60 60 A G E -b 14 0A 8 -47,-2.6 -45,-1.6 -2,-0.8 2,-0.2 -0.872 18.3-120.7-109.5 135.5 4.6 54.6 17.0 61 61 A V E -b 15 0A 35 -2,-0.4 2,-0.4 -16,-0.3 3,-0.1 -0.472 29.2-174.8 -75.2 134.4 6.1 56.6 19.9 62 62 A E > - 0 0 42 -47,-3.0 3,-1.4 -2,-0.2 -45,-0.4 -0.963 24.1-162.0-135.6 119.2 4.0 56.8 23.1 63 63 A Q T 3 S+ 0 0 166 -2,-0.4 -1,-0.1 1,-0.3 -46,-0.0 0.882 102.4 45.1 -61.9 -34.1 4.9 58.9 26.1 64 64 A N T 3 S+ 0 0 102 -3,-0.1 -1,-0.3 -49,-0.1 -3,-0.0 -0.218 88.8 171.1-100.1 39.8 2.5 56.7 28.1 65 65 A F < + 0 0 46 -3,-1.4 -4,-0.0 -50,-0.1 -2,-0.0 -0.253 15.0 179.5 -54.6 131.0 3.8 53.5 26.5 66 66 A N - 0 0 130 -51,-0.0 -52,-0.1 -50,-0.0 -2,-0.1 -0.979 33.2-119.5-128.0 118.1 2.5 50.2 28.1 67 67 A P - 0 0 35 0, 0.0 2,-1.1 0, 0.0 47,-0.1 -0.262 16.5-128.6 -64.4 150.1 3.9 47.1 26.4 68 68 A A + 0 0 37 -54,-0.2 47,-3.0 1,-0.2 45,-0.0 -0.808 38.2 166.6 -97.1 94.1 1.3 44.8 24.8 69 69 A K S S+ 0 0 130 -2,-1.1 -1,-0.2 45,-0.2 3,-0.1 0.571 72.3 23.5 -86.4 -10.2 2.4 41.5 26.4 70 70 A R S S+ 0 0 118 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.728 110.8 55.2-123.4 -73.3 -0.8 39.5 25.4 71 71 A A S S+ 0 0 24 113,-0.0 -1,-0.3 64,-0.0 44,-0.3 -0.467 75.4 150.1 -62.3 136.5 -2.8 40.8 22.4 72 72 A H - 0 0 6 64,-0.2 64,-2.8 -2,-0.2 2,-0.3 -0.978 47.8 -90.3-162.3 163.1 -0.4 41.1 19.4 73 73 A P E -H 135 0B 12 0, 0.0 44,-2.1 0, 0.0 2,-0.5 -0.672 34.6-145.1 -80.3 148.2 0.1 40.9 15.6 74 74 A A E -Hi 134 117B 0 60,-3.2 59,-2.9 -2,-0.3 60,-1.6 -0.976 10.0-155.3-123.2 122.4 1.0 37.5 14.0 75 75 A F E -Hi 132 118B 2 42,-2.9 44,-2.3 -2,-0.5 2,-0.4 -0.819 15.2-128.0-101.4 134.6 3.3 37.4 11.0 76 76 A Y E -Hi 131 119B 56 55,-2.5 54,-3.5 -2,-0.4 55,-0.9 -0.727 29.8-164.8 -83.0 131.6 3.3 34.6 8.4 77 77 A V E > -H 129 0B 0 42,-2.4 3,-0.6 -2,-0.4 2,-0.4 -0.965 16.5-138.4-122.3 128.4 6.9 33.1 7.9 78 78 A L T 3 S+ 0 0 91 50,-2.4 5,-0.1 -2,-0.4 42,-0.0 -0.735 93.4 5.7 -76.6 134.1 8.3 30.9 5.2 79 79 A K T >> S- 0 0 110 -2,-0.4 4,-2.0 1,-0.1 3,-0.6 0.936 77.1-179.5 63.9 47.2 10.6 28.1 6.5 80 80 A I H <> S+ 0 0 2 -3,-0.6 4,-3.2 1,-0.2 5,-0.2 0.784 73.4 64.0 -52.7 -35.2 9.8 29.1 10.1 81 81 A D H 3> S+ 0 0 91 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.944 109.1 38.8 -48.0 -57.9 12.1 26.3 11.4 82 82 A E H <> S+ 0 0 44 -3,-0.6 4,-1.5 2,-0.2 -2,-0.2 0.813 113.7 55.1 -69.7 -37.3 15.1 28.1 9.9 83 83 A F H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 3,-0.4 0.955 107.5 51.1 -60.5 -49.4 13.9 31.6 10.8 84 84 A K H X S+ 0 0 40 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.887 108.7 49.4 -56.9 -45.5 13.6 30.5 14.5 85 85 A Q H X S+ 0 0 104 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.780 107.4 56.3 -67.6 -25.6 17.1 29.1 14.6 86 86 A E H X S+ 0 0 58 -4,-1.5 4,-0.9 -3,-0.4 -1,-0.2 0.830 109.1 46.7 -70.5 -32.5 18.4 32.4 13.1 87 87 A L H <>S+ 0 0 0 -4,-1.6 5,-2.2 -3,-0.2 3,-0.4 0.917 112.0 49.0 -72.8 -44.4 16.7 34.3 15.9 88 88 A I H ><5S+ 0 0 69 -4,-2.5 3,-3.3 1,-0.2 -2,-0.2 0.973 105.1 59.4 -58.5 -49.7 18.2 32.0 18.6 89 89 A K H 3<5S+ 0 0 162 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.835 105.6 50.7 -43.5 -38.2 21.6 32.4 16.9 90 90 A Q T 3<5S- 0 0 88 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.228 124.4-103.3 -89.4 11.6 21.3 36.1 17.7 91 91 A G T < 5 + 0 0 63 -3,-3.3 2,-0.4 1,-0.2 -3,-0.2 0.626 69.5 150.0 78.8 12.0 20.4 35.6 21.4 92 92 A I < - 0 0 38 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.2 -0.653 45.6-127.7 -78.4 130.5 16.6 36.2 20.9 93 93 A E - 0 0 164 -2,-0.4 16,-0.4 16,-0.1 2,-0.4 -0.654 26.3-162.6 -79.7 127.6 14.4 34.3 23.4 94 94 A V - 0 0 27 -2,-0.4 2,-0.6 14,-0.1 14,-0.2 -0.889 12.4-157.5-114.8 142.1 11.6 32.3 21.8 95 95 A I E -J 107 0B 89 12,-2.7 12,-2.8 -2,-0.4 -2,-0.0 -0.929 18.6-147.8-119.5 106.8 8.5 30.9 23.3 96 96 A D E -J 106 0B 68 -2,-0.6 2,-0.4 10,-0.3 10,-0.2 -0.241 6.7-156.6 -69.9 156.3 7.0 28.0 21.3 97 97 A D E +J 105 0B 29 8,-1.9 8,-0.6 3,-0.1 3,-0.2 -0.964 17.7 173.1-139.2 124.3 3.3 27.3 21.2 98 98 A H + 0 0 159 -2,-0.4 -1,-0.1 1,-0.1 8,-0.0 0.227 51.7 100.8-112.5 13.3 1.8 23.9 20.4 99 99 A A S S+ 0 0 16 1,-0.2 -1,-0.1 2,-0.1 66,-0.1 0.805 77.7 56.8 -75.8 -24.8 -1.9 24.4 21.0 100 100 A R S > S- 0 0 21 3,-0.2 3,-1.3 -3,-0.2 -1,-0.2 -0.889 70.9-169.7-110.5 101.0 -2.8 24.8 17.3 101 101 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.588 79.9 60.4 -79.3 -14.4 -1.5 21.5 15.7 102 102 A D T 3 S+ 0 0 72 19,-0.1 20,-2.5 1,-0.0 2,-0.4 0.445 107.6 54.7 -81.3 -8.0 -2.0 22.6 12.0 103 103 A V E < - 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