==== 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 OXIDOREDUCTASE 16-MAR-05 1X0A . COMPND 2 MOLECULE: MALATE/L-LACTATE DEHYDROGENASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.MIZUTANI,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 344 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 13.4 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.2 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 2 1 0 0 2 1 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 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 0 PARALLEL BRIDGES PER LADDER . 3 2 0 2 0 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 . 1 0 0 1 0 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 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 0 170 0, 0.0 320,-0.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 113.2 -15.6 23.6 -16.3 2 2 A R E -A 320 0A 121 318,-0.2 2,-0.3 315,-0.1 318,-0.3 -0.711 360.0-151.0-103.0 155.1 -12.1 24.0 -17.6 3 3 A W E -A 319 0A 35 316,-3.3 316,-3.0 -2,-0.3 2,-0.6 -0.915 28.0 -99.2-127.0 151.8 -8.8 23.6 -15.7 4 4 A R > - 0 0 120 -2,-0.3 4,-2.3 314,-0.2 3,-0.3 -0.572 29.3-154.6 -70.4 113.2 -5.4 25.0 -16.0 5 5 A A H > S+ 0 0 9 -2,-0.6 4,-2.5 309,-0.4 5,-0.2 0.851 92.2 55.1 -57.7 -39.4 -3.3 22.4 -17.7 6 6 A D H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.900 110.1 46.5 -63.1 -39.7 -0.0 23.6 -16.2 7 7 A F H > S+ 0 0 32 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.908 113.2 48.0 -68.9 -42.1 -1.5 23.3 -12.7 8 8 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.880 110.4 53.0 -66.5 -36.2 -2.9 19.8 -13.4 9 9 A S H X S+ 0 0 35 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.934 111.9 44.3 -63.5 -46.1 0.4 18.7 -14.9 10 10 A A H X S+ 0 0 44 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.891 114.1 51.4 -64.8 -40.0 2.3 19.9 -11.8 11 11 A W H X S+ 0 0 6 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.947 110.0 47.4 -62.3 -50.3 -0.3 18.3 -9.5 12 12 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.912 111.9 50.9 -58.6 -44.7 -0.2 14.9 -11.2 13 13 A E H X S+ 0 0 44 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.929 111.2 48.1 -59.3 -46.8 3.6 14.9 -11.2 14 14 A A H X S+ 0 0 46 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.898 111.2 50.0 -62.1 -42.1 3.6 15.7 -7.4 15 15 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.921 110.5 50.6 -64.0 -41.8 1.0 13.0 -6.7 16 16 A L H X>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 4,-0.7 0.897 110.2 48.9 -62.5 -41.2 3.1 10.4 -8.7 17 17 A R H ><5S+ 0 0 110 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.938 110.9 51.1 -63.3 -44.2 6.3 11.4 -6.7 18 18 A K H 3<5S+ 0 0 119 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.866 106.9 54.2 -59.6 -37.2 4.3 11.0 -3.5 19 19 A A H 3<5S- 0 0 17 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.629 131.5 -92.6 -73.3 -13.9 3.1 7.6 -4.7 20 20 A G T <<5S+ 0 0 44 -3,-1.3 -3,-0.2 -4,-0.7 -2,-0.1 0.353 77.1 138.9 121.9 -7.0 6.7 6.5 -5.2 21 21 A A < - 0 0 3 -5,-2.4 -1,-0.3 -6,-0.1 43,-0.2 -0.412 51.9-119.6 -70.6 145.2 7.6 7.3 -8.8 22 22 A D > - 0 0 36 41,-2.5 4,-2.4 -2,-0.1 5,-0.2 -0.241 36.2 -92.7 -76.0 174.3 11.1 8.8 -9.5 23 23 A E H > S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.933 121.5 45.0 -57.4 -54.0 11.4 12.2 -11.1 24 24 A P H > S+ 0 0 51 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.888 115.5 49.1 -60.5 -35.8 11.7 11.2 -14.8 25 25 A S H > S+ 0 0 0 38,-0.3 4,-2.3 2,-0.2 5,-0.2 0.923 111.4 48.0 -68.7 -43.3 8.8 8.7 -14.5 26 26 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.894 114.2 47.5 -64.4 -39.1 6.5 11.1 -12.8 27 27 A K H X S+ 0 0 89 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.913 110.4 52.0 -67.8 -42.5 7.2 13.8 -15.4 28 28 A A H X S+ 0 0 6 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.913 113.2 43.7 -60.5 -45.7 6.8 11.3 -18.3 29 29 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.928 113.4 49.7 -67.1 -46.5 3.3 10.2 -17.0 30 30 A A H X S+ 0 0 1 -4,-2.2 4,-2.1 -5,-0.2 5,-0.3 0.919 114.2 48.2 -58.3 -41.8 2.1 13.7 -16.2 31 31 A W H X S+ 0 0 70 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.969 111.7 47.3 -62.0 -56.1 3.3 14.8 -19.7 32 32 A A H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 86,-0.2 0.904 116.5 42.4 -55.0 -47.3 1.6 11.9 -21.5 33 33 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 13,-0.4 0.939 117.5 43.3 -69.8 -48.3 -1.8 12.2 -19.8 34 34 A V H X S+ 0 0 5 -4,-2.1 4,-2.8 -5,-0.3 5,-0.2 0.916 112.0 54.4 -64.6 -41.3 -2.2 16.0 -19.8 35 35 A E H X S+ 0 0 24 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.2 0.878 107.9 51.0 -59.9 -36.6 -0.9 16.2 -23.4 36 36 A A H <>S+ 0 0 0 -4,-1.4 5,-2.8 -5,-0.3 4,-0.2 0.937 110.6 48.0 -65.1 -46.3 -3.6 13.7 -24.4 37 37 A D H ><5S+ 0 0 18 -4,-2.1 3,-1.8 1,-0.2 283,-0.2 0.910 107.6 56.2 -60.0 -42.9 -6.3 15.8 -22.6 38 38 A L H 3<5S+ 0 0 5 -4,-2.8 276,-0.3 1,-0.3 -1,-0.2 0.879 106.8 49.7 -56.4 -39.9 -5.0 19.0 -24.3 39 39 A R T 3<5S- 0 0 14 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.417 122.6-106.4 -81.6 2.2 -5.5 17.4 -27.7 40 40 A G T < 5S+ 0 0 51 -3,-1.8 2,-0.9 -4,-0.2 -3,-0.2 0.648 83.3 128.3 82.6 14.6 -9.0 16.3 -26.8 41 41 A V > < + 0 0 23 -5,-2.8 3,-1.9 -6,-0.2 -1,-0.1 -0.563 21.8 161.6-102.1 67.3 -8.1 12.7 -26.4 42 42 A G G > + 0 0 15 -2,-0.9 3,-1.7 1,-0.3 5,-0.4 0.728 62.3 76.8 -58.6 -25.0 -9.6 12.2 -23.0 43 43 A S G 3 S+ 0 0 10 1,-0.3 -1,-0.3 -3,-0.2 141,-0.1 0.738 108.3 31.1 -58.6 -23.4 -9.6 8.4 -23.4 44 44 A H G < S+ 0 0 19 -3,-1.9 74,-0.4 -11,-0.1 -1,-0.3 0.082 108.1 90.8-122.8 22.7 -5.9 8.6 -22.7 45 45 A G S X S- 0 0 0 -3,-1.7 3,-3.1 -9,-0.2 4,-0.3 0.030 102.5 -45.9 -99.3-153.0 -5.7 11.5 -20.4 46 46 A L G > S+ 0 0 0 -13,-0.4 3,-1.1 1,-0.3 -12,-0.1 0.659 119.2 83.6 -54.0 -16.0 -5.9 12.1 -16.6 47 47 A L G 3 S+ 0 0 19 -5,-0.4 4,-0.4 1,-0.3 -1,-0.3 0.835 92.9 49.4 -56.0 -28.4 -8.8 9.7 -16.7 48 48 A R G <> S+ 0 0 10 -3,-3.1 4,-2.3 1,-0.2 -1,-0.3 0.632 85.7 87.8 -86.1 -17.2 -6.1 7.1 -16.5 49 49 A L H <> S+ 0 0 0 -3,-1.1 4,-2.8 -4,-0.3 5,-0.3 0.900 83.2 56.0 -53.3 -45.8 -4.1 8.6 -13.6 50 50 A P H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.943 111.9 40.4 -54.0 -52.3 -6.0 6.8 -10.9 51 51 A V H > S+ 0 0 13 -4,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.891 113.2 56.0 -65.4 -36.9 -5.5 3.2 -12.2 52 52 A Y H X S+ 0 0 4 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.940 111.2 43.8 -58.0 -47.8 -1.8 4.1 -13.1 53 53 A V H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.888 111.4 53.8 -65.6 -38.7 -1.2 5.1 -9.5 54 54 A R H X S+ 0 0 100 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.857 105.6 53.8 -64.9 -33.9 -3.1 2.1 -8.2 55 55 A R H <>S+ 0 0 4 -4,-2.2 5,-2.7 2,-0.2 6,-0.4 0.904 111.7 45.4 -65.8 -40.6 -0.9 -0.2 -10.3 56 56 A L H ><5S+ 0 0 14 -4,-1.6 3,-1.6 4,-0.2 5,-0.3 0.945 112.0 51.5 -65.8 -48.3 2.2 1.4 -8.7 57 57 A E H 3<5S+ 0 0 93 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.884 107.0 53.6 -54.4 -43.9 0.7 1.2 -5.2 58 58 A A T 3<5S- 0 0 56 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.557 119.6-111.0 -71.0 -8.8 -0.0 -2.5 -5.7 59 59 A G T < 5S+ 0 0 58 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.724 85.4 119.4 85.1 24.7 3.6 -3.1 -6.6 60 60 A L < + 0 0 8 -5,-2.7 2,-0.4 -6,-0.2 197,-0.3 0.346 62.6 63.8-102.8 4.5 3.0 -3.9 -10.3 61 61 A V S S- 0 0 12 -6,-0.4 22,-0.2 -5,-0.3 21,-0.1 -0.994 79.4-125.6-133.2 137.1 5.1 -1.0 -11.7 62 62 A N B -b 83 0B 47 20,-3.1 22,-0.6 -2,-0.4 -6,-0.1 -0.704 19.9-162.2 -79.2 114.8 8.8 -0.2 -11.4 63 63 A P S S+ 0 0 42 0, 0.0 -41,-2.5 0, 0.0 -38,-0.3 0.708 83.4 22.7 -72.5 -20.1 9.0 3.3 -10.0 64 64 A S S S- 0 0 67 -43,-0.2 19,-0.0 -39,-0.1 -41,-0.0 -0.443 78.9-177.7-148.0 69.1 12.6 3.9 -11.1 65 65 A P - 0 0 7 0, 0.0 16,-0.1 0, 0.0 -40,-0.1 -0.284 26.2-146.3 -67.7 153.2 13.7 1.6 -14.0 66 66 A T - 0 0 110 13,-0.1 15,-0.1 15,-0.0 14,-0.1 0.730 30.0-146.0 -87.6 -29.2 17.2 1.7 -15.4 67 67 A L - 0 0 1 1,-0.1 13,-0.1 12,-0.1 2,-0.0 0.970 10.0-145.0 61.8 61.7 15.9 0.9 -18.9 68 68 A P - 0 0 56 0, 0.0 11,-2.7 0, 0.0 2,-0.4 -0.315 14.8-162.2 -57.9 130.8 18.7 -1.2 -20.4 69 69 A L E -C 78 0C 61 9,-0.2 2,-0.5 11,-0.0 9,-0.2 -0.972 7.4-165.9-121.5 129.4 19.1 -0.6 -24.1 70 70 A E E -C 77 0C 95 7,-2.8 7,-2.4 -2,-0.4 2,-0.3 -0.954 9.8-157.6-117.9 116.2 21.0 -3.0 -26.5 71 71 A E E +C 76 0C 86 -2,-0.5 5,-0.3 5,-0.2 2,-0.2 -0.705 17.3 175.0 -95.3 143.9 21.9 -1.7 -29.9 72 72 A R E > -C 75 0C 135 3,-3.6 3,-1.5 -2,-0.3 -2,-0.0 -0.683 65.4 -68.1-144.4 80.7 22.6 -3.8 -32.9 73 73 A G T 3 S- 0 0 39 1,-0.3 -1,-0.3 -2,-0.2 30,-0.1 -0.516 118.1 -9.5 69.2-132.5 23.2 -1.6 -35.9 74 74 A P T 3 S+ 0 0 47 0, 0.0 33,-2.5 0, 0.0 2,-0.4 0.408 128.2 79.4 -79.3 4.8 19.9 0.2 -36.9 75 75 A V E < +Cd 72 107C 63 -3,-1.5 -3,-3.6 31,-0.2 2,-0.3 -0.886 56.0 177.9-115.4 144.9 18.1 -2.0 -34.4 76 76 A A E -Cd 71 108C 0 31,-2.2 33,-2.6 -2,-0.4 2,-0.4 -0.998 17.7-148.1-145.6 144.5 17.8 -1.7 -30.7 77 77 A L E -Cd 70 109C 38 -7,-2.4 -7,-2.8 -2,-0.3 2,-0.5 -0.950 14.6-159.3-114.3 132.7 16.0 -3.6 -27.9 78 78 A L E -Cd 69 110C 0 31,-2.6 33,-2.4 -2,-0.4 2,-0.8 -0.950 8.9-150.6-117.2 129.4 14.8 -1.8 -24.8 79 79 A D E - 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