==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-AUG-09 3IJP . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BARTONELLA HENSELAE; . AUTHOR SSGCID . 533 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26763.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 7.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 5 2 0 0 0 1 1 2 0 2 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 8 2 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 0 PARALLEL BRIDGES PER LADDER . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 S 0 0 86 0, 0.0 2,-0.3 0, 0.0 26,-0.3 0.000 360.0 360.0 360.0 123.5 21.0 147.8 13.2 2 1 A M E -a 27 0A 1 24,-2.1 26,-3.6 1,-0.0 2,-0.5 -0.633 360.0-134.4 -79.9 131.8 21.2 147.5 9.4 3 2 A R E -a 28 0A 82 -2,-0.3 67,-2.5 24,-0.2 68,-0.8 -0.761 31.8-176.4 -88.8 121.4 18.4 145.4 7.8 4 3 A L E -ab 29 71A 0 24,-2.9 26,-2.5 -2,-0.5 27,-1.0 -0.920 21.9-149.2-129.3 146.3 19.9 143.0 5.2 5 4 A T E -ab 31 72A 0 66,-2.7 68,-3.1 -2,-0.4 2,-0.6 -0.932 12.7-148.6-111.3 135.2 18.6 140.4 2.8 6 5 A V E -ab 32 73A 0 25,-2.1 27,-2.5 -2,-0.4 3,-0.3 -0.925 14.2-169.9-105.1 120.8 20.6 137.4 1.8 7 6 A V S S+ 0 0 0 66,-2.0 68,-0.4 -2,-0.6 27,-0.1 -0.515 72.4 35.5-100.5 171.6 20.2 136.0 -1.7 8 7 A G S > S+ 0 0 17 -2,-0.2 3,-2.0 66,-0.1 6,-0.6 0.863 80.9 168.9 48.7 43.0 21.6 132.7 -2.9 9 8 A A T 3 + 0 0 0 24,-2.3 9,-0.2 -3,-0.3 25,-0.1 0.740 61.7 50.6 -67.5 -31.9 20.7 131.7 0.6 10 9 A N T 3 S+ 0 0 66 23,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.529 92.3 98.4 -82.0 -5.8 21.1 128.0 0.3 11 10 A G S <> S- 0 0 30 -3,-2.0 4,-2.3 64,-0.1 5,-0.2 -0.143 92.8 -97.5 -73.7 176.1 24.6 128.2 -1.2 12 11 A R H > S+ 0 0 123 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.973 126.1 37.9 -60.5 -51.4 27.8 127.8 0.7 13 12 A M H > S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.907 112.5 58.7 -70.6 -37.5 28.3 131.6 1.1 14 13 A G H > S+ 0 0 0 -6,-0.6 4,-2.0 61,-0.3 -1,-0.2 0.931 108.8 44.1 -52.0 -51.8 24.6 132.2 1.6 15 14 A R H X S+ 0 0 88 -4,-2.3 4,-2.3 -7,-0.2 -1,-0.2 0.885 112.2 53.6 -61.1 -38.0 24.5 130.0 4.6 16 15 A E H X S+ 0 0 55 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.897 107.4 51.2 -67.7 -37.0 27.7 131.5 5.9 17 16 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.926 109.7 49.6 -65.7 -41.6 26.2 135.0 5.6 18 17 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.929 110.4 50.7 -64.3 -44.1 23.2 134.0 7.6 19 18 A T H X S+ 0 0 43 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.927 112.8 46.7 -57.1 -44.5 25.4 132.4 10.3 20 19 A A H < S+ 0 0 5 -4,-2.5 4,-0.3 1,-0.2 3,-0.2 0.865 109.9 51.6 -71.6 -35.1 27.4 135.7 10.5 21 20 A I H >< S+ 0 0 2 -4,-2.3 3,-1.3 1,-0.2 6,-0.3 0.911 107.5 55.4 -66.9 -37.8 24.4 138.0 10.7 22 21 A Q H 3< S+ 0 0 84 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.781 103.4 52.2 -67.5 -26.4 22.9 135.9 13.5 23 22 A R T 3< S+ 0 0 189 -4,-1.0 2,-0.3 -3,-0.2 -1,-0.3 0.423 102.0 77.6 -88.6 0.9 26.0 136.2 15.8 24 23 A R < - 0 0 71 -3,-1.3 3,-0.1 -4,-0.3 0, 0.0 -0.843 58.8-157.7-120.4 150.2 26.1 140.1 15.5 25 24 A K S S+ 0 0 97 -2,-0.3 -1,-0.1 1,-0.1 -4,-0.0 0.744 89.9 63.1 -92.4 -25.6 24.1 142.9 17.1 26 25 A D S S+ 0 0 68 -25,-0.1 -24,-2.1 2,-0.0 2,-0.3 0.542 101.6 50.3 -82.9 -8.3 24.9 145.5 14.4 27 26 A V E -a 2 0A 5 -6,-0.3 2,-0.4 -26,-0.3 -24,-0.2 -0.982 68.1-154.0-131.6 146.1 23.2 143.7 11.5 28 27 A E E -a 3 0A 104 -26,-3.6 -24,-2.9 -2,-0.3 2,-0.6 -0.963 15.2-132.3-125.7 129.1 19.7 142.3 11.2 29 28 A L E +a 4 0A 9 -2,-0.4 -24,-0.2 -26,-0.2 3,-0.1 -0.663 36.6 159.3 -77.8 116.1 18.4 139.4 9.0 30 29 A C E + 0 0 39 -26,-2.5 2,-0.3 -2,-0.6 -25,-0.2 0.659 58.7 11.8-115.7 -13.5 15.2 140.6 7.4 31 30 A A E -a 5 0A 12 -27,-1.0 -25,-2.1 25,-0.1 2,-0.4 -0.986 52.0-157.1-159.5 155.1 14.8 138.4 4.3 32 31 A V E -a 6 0A 0 25,-0.5 27,-2.7 -2,-0.3 2,-0.4 -0.982 13.2-161.4-140.0 119.3 16.1 135.3 2.7 33 32 A L B +f 59 0B 3 -27,-2.5 -24,-2.3 -2,-0.4 2,-0.3 -0.889 13.7 167.9-108.6 133.6 15.9 134.5 -1.1 34 33 A V - 0 0 4 25,-1.8 3,-0.1 -2,-0.4 -2,-0.0 -0.814 44.6 -75.4-127.7 170.1 16.2 131.2 -2.8 35 34 A R > - 0 0 205 -2,-0.3 3,-1.9 1,-0.1 6,-0.1 -0.237 59.0 -86.3 -66.2 154.4 15.5 130.1 -6.3 36 35 A K T 3 S+ 0 0 180 1,-0.3 -1,-0.1 24,-0.2 25,-0.0 -0.341 115.5 23.3 -60.9 139.4 11.9 129.4 -7.5 37 36 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.448 84.9 149.1 84.3 -1.4 10.7 126.0 -6.7 38 37 A S X - 0 0 27 -3,-1.9 3,-1.8 1,-0.1 -1,-0.3 -0.441 53.5-131.4 -63.7 139.8 13.3 125.4 -3.9 39 38 A S T 3 S+ 0 0 83 1,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.640 103.8 68.8 -64.8 -13.5 12.0 123.1 -1.1 40 39 A F T > S+ 0 0 40 2,-0.1 3,-1.9 3,-0.0 18,-0.3 0.584 70.0 118.7 -80.2 -11.3 13.2 125.8 1.4 41 40 A V T < S+ 0 0 28 -3,-1.8 18,-0.2 1,-0.3 3,-0.1 -0.377 82.2 12.8 -63.1 134.3 10.4 128.2 0.3 42 41 A D T 3 S+ 0 0 105 16,-2.9 -1,-0.3 1,-0.3 17,-0.1 0.144 102.0 115.2 83.3 -13.5 8.1 129.0 3.3 43 42 A K S < S- 0 0 95 -3,-1.9 15,-3.4 14,-0.1 -1,-0.3 -0.378 77.2 -95.4 -78.1 161.9 10.4 127.5 5.8 44 43 A D B > -G 57 0C 22 13,-0.2 3,-2.1 1,-0.1 13,-0.2 -0.601 30.5-118.9 -76.6 143.1 12.1 129.5 8.5 45 44 A A G > S+ 0 0 0 11,-3.2 3,-2.6 1,-0.3 4,-0.5 0.769 105.9 79.4 -54.2 -28.2 15.7 130.7 7.7 46 45 A S G >>>S+ 0 0 20 1,-0.3 5,-1.3 10,-0.2 3,-1.1 0.792 79.8 67.9 -50.0 -33.4 16.9 128.8 10.8 47 46 A I G <45S+ 0 0 76 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.737 92.0 60.2 -62.0 -22.9 16.7 125.6 8.7 48 47 A L G <45S+ 0 0 5 -3,-2.6 -1,-0.2 -4,-0.2 -2,-0.2 0.758 120.5 22.8 -77.5 -23.3 19.6 126.8 6.5 49 48 A I T <45S- 0 0 43 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.238 103.0-113.6-129.2 8.5 22.1 127.0 9.5 50 49 A G T <5S+ 0 0 59 -4,-1.1 -3,-0.2 1,-0.1 -4,-0.1 0.772 71.0 136.1 65.5 27.8 20.7 124.6 12.1 51 50 A S < - 0 0 46 -5,-1.3 2,-0.2 1,-0.2 -1,-0.1 -0.206 61.7 -74.6 -95.2-174.3 19.9 127.5 14.5 52 51 A D S S- 0 0 148 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.1 -0.522 74.8 -65.5 -72.7 152.3 17.1 128.4 16.8 53 52 A F - 0 0 162 -2,-0.2 -1,-0.2 1,-0.1 -8,-0.0 -0.044 48.6-171.9 -36.8 125.2 13.9 129.8 15.1 54 53 A L - 0 0 37 2,-0.2 -1,-0.1 -3,-0.1 3,-0.1 0.606 31.3-128.1-101.6 -13.5 14.7 133.2 13.5 55 54 A G S S+ 0 0 52 1,-0.2 2,-0.4 0, 0.0 -2,-0.1 0.854 70.3 122.6 63.8 33.6 11.2 134.4 12.5 56 55 A V - 0 0 16 -25,-0.0 -11,-3.2 2,-0.0 2,-0.4 -0.967 53.8-147.2-128.2 113.7 12.3 135.0 8.9 57 56 A R B -G 44 0C 176 -2,-0.4 -25,-0.5 -13,-0.2 -13,-0.2 -0.686 18.6-122.4 -85.7 127.1 10.4 133.1 6.3 58 57 A I - 0 0 1 -15,-3.4 -16,-2.9 -2,-0.4 2,-0.3 -0.443 34.3-171.0 -73.6 137.6 12.3 132.0 3.2 59 58 A T B -f 33 0B 20 -27,-2.7 -25,-1.8 -18,-0.2 -19,-0.0 -0.877 32.6-155.1-126.1 157.7 10.9 133.3 -0.1 60 59 A D S S+ 0 0 49 -2,-0.3 -24,-0.2 -27,-0.2 -27,-0.1 0.191 73.2 96.1-108.5 14.4 11.5 132.8 -3.8 61 60 A D > - 0 0 75 1,-0.2 4,-2.8 -26,-0.1 3,-0.5 -0.869 57.5-161.5-112.8 112.0 10.1 136.2 -4.6 62 61 A P H > S+ 0 0 22 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.858 92.0 59.0 -59.2 -37.5 12.4 139.1 -5.1 63 62 A E H 4 S+ 0 0 97 2,-0.2 4,-0.1 1,-0.2 -2,-0.0 0.891 112.7 40.1 -56.5 -42.3 9.7 141.7 -4.7 64 63 A S H >> S+ 0 0 61 -3,-0.5 3,-2.0 2,-0.2 4,-0.5 0.971 115.5 50.2 -70.4 -52.6 9.0 140.2 -1.2 65 64 A A H 3< S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.3 3,-0.2 0.788 118.9 39.0 -55.5 -31.3 12.7 139.7 -0.3 66 65 A F T 3< S+ 0 0 4 -4,-2.4 3,-0.4 -5,-0.2 -1,-0.3 0.278 92.0 90.9-103.8 12.0 13.6 143.3 -1.3 67 66 A S T <4 S+ 0 0 82 -3,-2.0 -1,-0.1 1,-0.2 -2,-0.1 0.806 98.2 21.4 -83.6 -29.6 10.5 145.1 0.0 68 67 A N S < S+ 0 0 114 -4,-0.5 2,-0.3 -3,-0.2 -1,-0.2 -0.438 100.1 100.6-137.8 62.3 11.6 146.0 3.5 69 68 A T - 0 0 11 -3,-0.4 -65,-0.2 1,-0.1 3,-0.1 -0.917 57.3-144.2-145.2 162.7 15.4 146.0 3.6 70 69 A E S S+ 0 0 48 -67,-2.5 24,-1.4 -2,-0.3 2,-0.3 0.541 80.5 9.6-106.4 -12.9 18.4 148.2 3.5 71 70 A G E -bc 4 94A 0 -68,-0.8 -66,-2.7 22,-0.2 2,-0.5 -0.987 57.0-129.3-165.5 157.4 20.8 146.0 1.5 72 71 A I E -bc 5 95A 0 22,-2.6 24,-3.3 -2,-0.3 2,-0.6 -0.957 14.4-158.5-113.8 122.1 21.4 142.9 -0.6 73 72 A L E -bc 6 96A 0 -68,-3.1 -66,-2.0 -2,-0.5 2,-0.5 -0.897 22.0-174.6-100.9 118.9 24.2 140.5 0.3 74 73 A D E + c 0 97A 0 22,-2.6 24,-2.9 -2,-0.6 25,-1.3 -0.878 31.7 147.1-137.6 97.8 24.9 138.5 -2.9 75 74 A F + 0 0 31 -2,-0.5 -61,-0.3 -68,-0.4 -64,-0.1 -0.935 50.8 102.7-115.9 97.8 27.3 135.6 -3.4 76 75 A S S S- 0 0 47 -2,-0.5 24,-0.1 -63,-0.1 -63,-0.1 0.295 76.1 -42.6-141.3 -96.7 25.4 133.7 -6.1 77 76 A Q > - 0 0 86 22,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.979 50.3-110.2-157.5 143.2 25.9 133.4 -9.8 78 77 A P H > S+ 0 0 16 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.823 114.0 45.2 -56.9 -38.9 26.7 136.1 -12.4 79 78 A Q H > S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.927 114.9 49.8 -68.9 -40.3 23.3 136.2 -14.3 80 79 A A H > S+ 0 0 24 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 109.2 51.9 -60.8 -43.3 21.5 136.2 -11.0 81 80 A S H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.845 106.9 51.1 -68.5 -35.4 23.7 139.1 -9.6 82 81 A V H X S+ 0 0 12 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.951 111.1 51.1 -63.9 -43.0 23.1 141.4 -12.6 83 82 A L H X S+ 0 0 86 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.928 111.9 46.2 -57.6 -45.5 19.4 140.7 -12.1 84 83 A Y H X S+ 0 0 30 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.797 106.6 57.7 -72.7 -27.4 19.7 141.7 -8.5 85 84 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.877 104.7 53.1 -67.9 -37.1 21.7 144.8 -9.2 86 85 A N H X S+ 0 0 50 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.935 110.1 46.4 -59.0 -46.3 18.8 145.9 -11.4 87 86 A Y H X S+ 0 0 44 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.908 110.7 53.5 -60.4 -43.7 16.4 145.4 -8.5 88 87 A A H X>S+ 0 0 0 -4,-2.5 5,-1.9 2,-0.2 4,-0.6 0.922 111.9 45.3 -56.7 -45.5 19.0 147.2 -6.3 89 88 A A H ><5S+ 0 0 13 -4,-2.8 3,-1.1 3,-0.2 -2,-0.2 0.973 114.7 47.9 -59.9 -50.9 18.9 150.1 -8.9 90 89 A Q H 3<5S+ 0 0 134 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.866 122.3 33.2 -60.6 -39.4 15.1 150.1 -9.1 91 90 A K H 3<5S- 0 0 65 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.278 105.5-119.4-103.5 9.6 14.5 150.1 -5.4 92 91 A S T <<5 + 0 0 92 -3,-1.1 2,-0.4 -4,-0.6 -3,-0.2 0.929 60.1 151.2 49.7 52.1 17.6 152.2 -4.2 93 92 A L < - 0 0 14 -5,-1.9 -22,-0.2 -6,-0.2 -1,-0.2 -0.869 50.4-111.6-106.2 147.2 19.0 149.3 -2.2 94 93 A I E -c 71 0A 11 -24,-1.4 -22,-2.6 -2,-0.4 2,-0.4 -0.524 31.8-154.4 -72.9 148.3 22.8 148.8 -1.5 95 94 A H E -cd 72 119A 0 23,-1.9 25,-2.0 -24,-0.2 2,-0.7 -0.985 11.0-164.1-131.3 114.8 24.1 145.7 -3.2 96 95 A I E -cd 73 120A 0 -24,-3.3 -22,-2.6 -2,-0.4 2,-0.7 -0.917 15.9-165.3 -96.2 108.6 27.2 143.8 -1.9 97 96 A I E +cd 74 121A 0 23,-2.5 25,-2.2 -2,-0.7 -22,-0.2 -0.873 28.0 157.4-106.6 109.4 28.3 141.6 -4.8 98 97 A G + 0 0 9 -24,-2.9 -23,-0.2 -2,-0.7 -1,-0.2 0.553 42.2 117.0 -97.7 -18.1 30.8 138.8 -4.0 99 98 A T - 0 0 10 -25,-1.3 2,-0.3 -22,-0.1 3,-0.1 -0.152 47.3-164.1 -51.3 146.0 29.8 136.8 -7.0 100 99 A T + 0 0 29 -24,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.852 53.3 66.8-129.9 165.7 32.6 136.2 -9.6 101 100 A G + 0 0 48 -2,-0.3 -1,-0.1 1,-0.2 2,-0.1 0.671 60.4 163.1 99.0 20.2 32.8 135.1 -13.2 102 101 A F - 0 0 24 -3,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.399 32.6-131.0 -68.2 144.0 31.1 138.1 -14.9 103 102 A S > - 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