==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-MAY-09 3HHJ . COMPND 2 MOLECULE: MUTATOR MUTT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BARTONELLA HENSELAE; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 261 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 21.1 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 . 2 0.8 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 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 15.3 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+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 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 5 1 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 27 A S 0 0 126 0, 0.0 79,-3.5 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 -64.6 15.4 54.4 4.7 2 28 A L E -a 80 0A 52 77,-0.2 2,-0.5 79,-0.1 79,-0.2 -0.922 360.0-159.2-102.4 123.9 18.1 55.5 2.2 3 29 A L E -a 81 0A 58 77,-3.7 79,-2.7 -2,-0.6 2,-0.6 -0.926 2.8-154.0-104.8 124.0 21.1 53.1 1.9 4 30 A I E +a 82 0A 20 -2,-0.5 35,-2.5 35,-0.2 2,-0.4 -0.895 18.2 173.2 -98.6 119.5 24.3 54.5 0.5 5 31 A V E -B 38 0A 28 77,-2.0 2,-0.3 -2,-0.6 33,-0.2 -0.987 16.3-153.0-122.4 132.4 26.6 51.9 -1.1 6 32 A V E -B 37 0A 0 31,-2.5 31,-2.0 -2,-0.4 2,-0.3 -0.826 14.9-176.1-101.2 150.2 29.8 52.8 -3.0 7 33 A A E -Bc 36 85A 2 77,-2.3 79,-2.5 -2,-0.3 2,-0.4 -0.918 11.2-142.5-139.4 163.2 31.3 50.6 -5.7 8 34 A C E - c 0 86A 0 27,-2.1 2,-0.7 -2,-0.3 79,-0.2 -0.979 11.5-151.3-133.0 141.1 34.3 50.6 -7.9 9 35 A A E - c 0 87A 0 77,-2.6 79,-2.4 -2,-0.4 2,-0.5 -0.944 25.7-161.2-101.2 100.5 35.2 49.6 -11.5 10 36 A L E - c 0 88A 0 -2,-0.7 8,-1.3 8,-0.4 2,-0.5 -0.786 6.4-156.0 -85.4 126.0 38.9 48.6 -11.1 11 37 A L B -E 17 0B 19 77,-2.8 6,-0.2 -2,-0.5 2,-0.1 -0.904 3.5-155.5-111.1 127.0 40.6 48.7 -14.5 12 38 A D > - 0 0 26 4,-2.2 3,-2.1 -2,-0.5 4,-0.0 -0.278 42.2 -83.7 -91.5-179.7 43.7 46.7 -15.4 13 39 A Q T 3 S+ 0 0 196 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.739 129.3 49.0 -54.3 -28.4 46.4 47.3 -18.0 14 40 A D T 3 S- 0 0 114 2,-0.1 -1,-0.3 93,-0.0 3,-0.1 0.210 119.6-103.2-100.4 15.8 44.2 45.6 -20.6 15 41 A N S < S+ 0 0 98 -3,-2.1 93,-1.7 1,-0.3 2,-0.4 0.820 72.8 144.5 61.0 33.0 40.9 47.5 -19.9 16 42 A R E - F 0 107B 99 91,-0.2 -4,-2.2 92,-0.1 2,-0.4 -0.795 40.0-144.9 -92.1 144.7 39.4 44.6 -18.1 17 43 A V E -EF 11 106B 0 89,-3.1 89,-2.9 -2,-0.4 2,-0.5 -0.886 17.3-117.6-106.6 147.6 37.1 45.5 -15.1 18 44 A L E - F 0 105B 0 -8,-1.3 -8,-0.4 -2,-0.4 2,-0.3 -0.724 29.6-178.7 -90.6 124.4 37.0 43.3 -12.0 19 45 A L E - F 0 104B 0 85,-2.5 85,-2.4 -2,-0.5 2,-0.3 -0.880 9.8-156.4-110.9 151.7 33.8 41.6 -11.0 20 46 A T E -GF 33 103B 2 13,-2.8 13,-2.0 -2,-0.3 2,-0.4 -0.915 3.1-155.9-128.0 154.8 33.4 39.4 -7.8 21 47 A Q E - F 0 102B 20 81,-2.4 81,-3.5 -2,-0.3 11,-0.1 -0.995 23.5-118.1-135.1 126.5 31.0 36.7 -6.9 22 48 A R - 0 0 99 9,-0.5 8,-0.8 -2,-0.4 79,-0.1 -0.276 47.9 -92.6 -57.6 145.8 30.0 35.6 -3.4 23 49 A P - 0 0 64 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.232 28.2-118.1 -65.1 153.4 31.0 31.9 -2.7 24 50 A E > + 0 0 123 1,-0.2 3,-2.2 -3,-0.1 2,-0.1 0.833 52.9 166.6 -59.9 -30.3 28.4 29.2 -3.4 25 51 A G T 3 - 0 0 62 1,-0.3 -1,-0.2 4,-0.0 4,-0.1 -0.301 68.2 -15.4 55.5-118.5 28.4 28.3 0.3 26 52 A K T 3 S+ 0 0 217 -3,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.273 136.3 20.0-105.6 13.6 25.5 26.0 1.1 27 53 A S S < S- 0 0 92 -3,-2.2 2,-0.2 1,-0.2 -3,-0.0 -0.361 102.4 -24.4-143.3-129.6 23.4 26.7 -2.0 28 54 A L - 0 0 149 -2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.515 65.3 -84.2-101.9 160.7 24.0 28.0 -5.5 29 55 A A - 0 0 64 -2,-0.2 -1,-0.1 1,-0.1 -5,-0.1 -0.353 50.2-141.3 -53.1 127.6 26.5 30.2 -7.3 30 56 A G - 0 0 34 -8,-0.8 2,-0.1 1,-0.2 -1,-0.1 0.027 25.4 -72.0 -84.3-166.5 25.5 34.0 -6.9 31 57 A L - 0 0 85 1,-0.1 -9,-0.5 83,-0.0 2,-0.4 -0.410 41.7-110.1 -87.9 162.5 25.7 37.0 -9.3 32 58 A W + 0 0 23 83,-2.7 2,-0.3 -11,-0.1 -11,-0.2 -0.737 48.3 162.5 -88.7 136.3 28.7 38.9 -10.6 33 59 A E B -G 20 0B 59 -13,-2.0 -13,-2.8 -2,-0.4 3,-0.1 -0.987 42.6 -87.7-151.2 164.4 29.1 42.4 -9.2 34 60 A F - 0 0 8 -2,-0.3 -15,-0.1 -15,-0.2 -25,-0.1 -0.468 52.2-108.9 -67.5 138.3 31.3 45.4 -8.7 35 61 A P + 0 0 2 0, 0.0 -27,-2.1 0, 0.0 2,-0.3 -0.441 66.7 106.5 -66.0 147.2 33.2 45.3 -5.4 36 62 A G E -B 7 0A 17 -29,-0.2 2,-0.3 16,-0.1 -29,-0.2 -0.988 39.6-150.1 169.9-170.0 32.0 47.8 -2.8 37 63 A G E -B 6 0A 10 -31,-2.0 -31,-2.5 -2,-0.3 15,-0.1 -0.989 36.5 -51.5-175.2 176.3 30.2 48.3 0.5 38 64 A K E -B 5 0A 100 -2,-0.3 2,-0.7 -33,-0.2 -33,-0.2 -0.240 48.4-121.2 -59.9 141.5 28.1 50.5 2.8 39 65 A V - 0 0 12 -35,-2.5 -35,-0.2 9,-0.0 2,-0.2 -0.842 37.7-153.9 -83.0 114.8 29.2 54.0 3.5 40 66 A E > - 0 0 84 -2,-0.7 3,-1.4 4,-0.2 8,-0.1 -0.571 26.3 -77.4 -91.0 157.2 29.6 54.0 7.4 41 67 A Q T 3 S+ 0 0 167 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.175 115.8 18.5 -49.3 136.0 29.3 57.0 9.8 42 68 A G T 3 S+ 0 0 83 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.637 104.8 108.5 72.8 13.1 32.3 59.3 10.0 43 69 A E < - 0 0 45 -3,-1.4 -1,-0.2 4,-0.0 90,-0.0 -0.963 65.6-133.6-116.6 139.0 33.6 58.0 6.7 44 70 A T > - 0 0 51 -2,-0.4 4,-2.3 1,-0.1 -4,-0.2 -0.451 35.0-107.4 -70.6 162.3 33.7 59.8 3.4 45 71 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.911 123.7 52.0 -56.4 -37.9 32.4 57.7 0.4 46 72 A E H > S+ 0 0 27 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.922 107.2 50.5 -65.7 -45.3 36.0 57.5 -0.7 47 73 A A H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.922 110.8 50.3 -55.1 -50.4 37.2 56.2 2.7 48 74 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.897 113.4 44.6 -51.8 -49.1 34.5 53.5 2.7 49 75 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.934 111.9 52.5 -66.0 -46.6 35.4 52.3 -0.8 50 76 A I H X S+ 0 0 46 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.906 112.6 45.4 -55.8 -46.1 39.2 52.4 -0.0 51 77 A R H X S+ 0 0 65 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.916 111.8 52.1 -63.9 -45.8 38.6 50.3 3.1 52 78 A E H X S+ 0 0 23 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.886 109.4 49.0 -55.8 -44.2 36.3 47.8 1.2 53 79 A L H X S+ 0 0 1 -4,-2.7 6,-1.8 2,-0.2 4,-1.6 0.829 113.9 46.1 -67.5 -33.9 38.8 47.3 -1.5 54 80 A E H X S+ 0 0 75 -4,-1.5 4,-1.5 4,-0.2 -2,-0.2 0.935 116.2 44.4 -75.5 -45.7 41.6 46.6 1.0 55 81 A E H < S+ 0 0 68 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.919 123.4 34.9 -59.4 -46.8 39.4 44.3 3.1 56 82 A E H < S+ 0 0 8 -4,-2.8 42,-1.7 -5,-0.2 43,-0.7 0.790 137.5 11.1 -83.5 -29.2 38.0 42.3 0.2 57 83 A L H < S- 0 0 0 -4,-1.6 39,-1.5 -5,-0.3 -3,-0.2 0.459 87.9-118.8-133.0 -6.5 40.8 42.2 -2.3 58 84 A G < + 0 0 17 -4,-1.5 2,-0.4 -5,-0.4 36,-0.2 0.762 65.5 147.5 61.1 26.3 44.0 43.4 -0.6 59 85 A V - 0 0 0 -6,-1.8 2,-0.6 34,-0.1 -1,-0.3 -0.800 39.1-148.0 -94.2 133.8 44.0 46.2 -3.2 60 86 A H B +H 92 0C 93 32,-3.7 32,-3.1 -2,-0.4 2,-0.4 -0.907 20.6 177.4-113.7 119.2 45.4 49.6 -2.1 61 87 A V - 0 0 5 -2,-0.6 2,-0.3 30,-0.2 30,-0.1 -0.926 23.0-138.1-125.9 141.3 43.9 52.7 -3.5 62 88 A Q > - 0 0 129 28,-0.4 3,-2.1 -2,-0.4 4,-0.3 -0.796 23.9-125.0 -93.2 142.7 44.5 56.5 -3.0 63 89 A A G > S+ 0 0 44 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.888 110.3 60.6 -53.7 -40.9 41.5 58.8 -2.8 64 90 A D G 3 S+ 0 0 143 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.557 101.6 55.8 -63.7 -10.4 43.0 61.0 -5.6 65 91 A N G < S+ 0 0 45 -3,-2.1 2,-0.6 25,-0.1 25,-0.4 0.381 86.0 91.0-105.3 1.7 42.9 58.0 -7.9 66 92 A L < - 0 0 10 -3,-1.9 22,-0.2 -4,-0.3 -20,-0.0 -0.892 60.5-166.5 -94.3 118.2 39.2 57.3 -7.5 67 93 A F E -D 87 0A 98 20,-2.6 20,-2.3 -2,-0.6 -3,-0.0 -0.897 22.9-118.9-110.5 124.5 37.1 59.1 -10.1 68 94 A P E +D 86 0A 43 0, 0.0 18,-0.2 0, 0.0 3,-0.1 -0.302 38.8 165.7 -50.4 135.4 33.3 59.5 -9.9 69 95 A L E - 0 0 22 16,-2.6 2,-0.3 1,-0.5 17,-0.2 0.624 52.2 -49.4-117.1 -67.1 31.6 57.8 -12.9 70 96 A T E -D 85 0A 6 15,-1.2 15,-3.5 131,-0.2 -1,-0.5 -0.861 47.3-127.8-154.9-172.9 27.9 57.5 -12.3 71 97 A F E -D 84 0A 5 13,-0.3 2,-0.3 -2,-0.3 -65,-0.1 -0.981 8.5-137.3-144.1 157.8 25.4 56.3 -9.8 72 98 A A E -D 83 0A 6 11,-1.9 11,-3.2 -2,-0.3 2,-0.4 -0.872 10.6-166.6-113.6 153.8 22.5 53.9 -9.6 73 99 A S E +D 82 0A 27 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.976 16.8 168.8-141.9 122.2 19.3 54.6 -7.8 74 100 A H E -D 81 0A 61 7,-2.0 7,-2.8 -2,-0.4 2,-0.4 -0.997 27.2-135.9-150.6 123.8 16.9 51.7 -7.2 75 101 A G E -D 80 0A 50 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.694 22.4-177.0 -84.9 134.0 13.8 51.2 -5.1 76 102 A Y - 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