==== 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 27-FEB-04 1VBI . COMPND 2 MOLECULE: TYPE 2 MALATE/LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.MIZUTANI,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 340 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 69.1 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 13.5 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 . 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 . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 34.7 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 1 2 0 0 1 3 0 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 0 190 0, 0.0 320,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 156.2 -2.9 67.0 36.4 2 2 A R E -A 320 0A 129 318,-0.1 2,-0.3 315,-0.1 318,-0.2 -0.838 360.0-143.9-117.5 155.6 0.4 68.0 34.8 3 3 A W E -A 319 0A 52 316,-2.9 316,-3.9 -2,-0.3 2,-0.4 -0.892 18.2-115.5-121.3 150.1 3.8 66.4 34.8 4 4 A R > - 0 0 138 -2,-0.3 4,-2.6 314,-0.2 5,-0.2 -0.668 12.8-143.2 -85.3 132.2 7.4 67.8 34.9 5 5 A A H > S+ 0 0 15 -2,-0.4 4,-2.9 309,-0.3 5,-0.3 0.883 102.7 54.7 -59.2 -39.6 9.6 67.1 31.8 6 6 A D H > S+ 0 0 84 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.890 111.0 45.1 -63.6 -37.9 12.6 66.8 34.1 7 7 A F H > S+ 0 0 122 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.929 115.3 46.5 -69.8 -46.2 10.9 64.1 36.1 8 8 A L H X S+ 0 0 6 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.903 113.9 48.3 -62.8 -42.9 9.5 62.2 33.1 9 9 A S H X S+ 0 0 37 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.915 113.6 45.8 -64.6 -45.7 12.9 62.4 31.3 10 10 A A H X S+ 0 0 59 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.900 115.0 48.8 -64.3 -40.8 14.9 61.1 34.4 11 11 A W H X S+ 0 0 20 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.925 111.2 48.7 -64.7 -47.0 12.3 58.4 34.9 12 12 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.914 112.5 48.5 -60.6 -44.4 12.3 57.3 31.3 13 13 A E H X S+ 0 0 37 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.933 112.2 49.0 -61.7 -45.7 16.1 57.1 31.3 14 14 A A H X S+ 0 0 43 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.905 111.7 49.3 -60.3 -43.5 16.2 55.2 34.6 15 15 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.929 110.9 49.6 -62.6 -47.1 13.6 52.7 33.3 16 16 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 -1,-0.2 0.873 111.0 48.9 -61.6 -38.6 15.5 52.1 30.0 17 17 A R H ><5S+ 0 0 126 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.903 109.9 51.8 -68.6 -38.1 18.8 51.5 31.8 18 18 A K H 3<5S+ 0 0 120 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.834 106.7 55.6 -64.8 -31.5 17.0 49.1 34.2 19 19 A A T 3<5S- 0 0 20 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.494 131.0 -94.7 -79.2 -4.9 15.7 47.4 31.0 20 20 A G T < 5S+ 0 0 47 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.319 78.5 136.1 112.4 -10.1 19.3 47.0 29.8 21 21 A A < - 0 0 4 -5,-2.4 -1,-0.3 -6,-0.1 43,-0.2 -0.447 55.9-115.0 -72.0 144.1 19.9 50.0 27.5 22 22 A D > - 0 0 42 41,-2.7 4,-2.6 -2,-0.1 5,-0.2 -0.242 33.8 -97.8 -72.3 169.2 23.3 51.7 27.9 23 23 A E H > S+ 0 0 91 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.913 121.0 49.9 -56.3 -49.2 23.4 55.3 29.2 24 24 A P H > S+ 0 0 56 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.913 114.3 45.5 -57.5 -43.4 23.7 57.0 25.8 25 25 A S H > S+ 0 0 0 38,-0.3 4,-2.4 2,-0.2 5,-0.2 0.917 113.2 49.2 -66.1 -44.9 20.8 55.1 24.4 26 26 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.928 113.6 46.5 -61.2 -45.5 18.6 55.6 27.5 27 27 A K H X S+ 0 0 104 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.902 111.6 52.0 -63.4 -42.1 19.3 59.4 27.4 28 28 A A H X S+ 0 0 6 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.905 112.5 43.7 -62.1 -44.8 18.7 59.6 23.7 29 29 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.917 112.4 51.8 -68.8 -43.1 15.3 57.9 23.8 30 30 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 -5,-0.2 5,-0.3 0.926 112.7 48.0 -58.2 -43.9 14.1 59.8 26.9 31 31 A W H X S+ 0 0 64 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.963 111.4 48.1 -60.3 -55.7 15.1 63.0 25.1 32 32 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 86,-0.2 0.909 116.6 41.8 -54.6 -47.7 13.3 62.2 21.8 33 33 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 13,-0.4 0.946 118.0 43.3 -70.0 -47.8 10.0 61.1 23.5 34 34 A V H X S+ 0 0 4 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.910 113.0 52.5 -65.7 -41.0 9.8 63.9 26.1 35 35 A E H X S+ 0 0 36 -4,-2.9 4,-1.4 -5,-0.3 -1,-0.2 0.818 108.7 51.7 -64.5 -29.6 10.8 66.6 23.6 36 36 A A H <>S+ 0 0 0 -4,-1.3 5,-2.6 -5,-0.3 4,-0.3 0.936 109.9 48.4 -71.3 -44.9 8.1 65.4 21.2 37 37 A D H ><5S+ 0 0 23 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.908 107.4 56.1 -60.2 -41.7 5.5 65.6 24.0 38 38 A L H 3<5S+ 0 0 3 -4,-2.5 276,-0.3 1,-0.3 -1,-0.2 0.886 107.4 49.1 -57.7 -39.2 6.6 69.1 25.0 39 39 A R T 3<5S- 0 0 16 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.415 122.7-105.6 -82.0 1.6 6.0 70.3 21.4 40 40 A G T < 5S+ 0 0 53 -3,-1.7 2,-0.8 -4,-0.3 -3,-0.2 0.623 85.1 124.5 85.3 12.8 2.6 68.7 21.3 41 41 A V > < + 0 0 37 -5,-2.6 3,-1.9 1,-0.2 -3,-0.1 -0.555 23.0 158.9-103.6 65.5 3.5 65.8 19.1 42 42 A G G > + 0 0 26 -2,-0.8 3,-2.1 1,-0.3 5,-0.5 0.736 60.4 77.8 -60.1 -24.8 2.3 63.1 21.5 43 43 A S G 3 S+ 0 0 62 1,-0.3 -1,-0.3 -3,-0.2 74,-0.1 0.736 108.7 31.0 -58.6 -20.6 2.0 60.6 18.6 44 44 A H G < S+ 0 0 46 -3,-1.9 74,-0.4 -11,-0.1 -1,-0.3 0.037 109.4 89.2-125.5 26.0 5.8 60.3 19.0 45 45 A G S X S- 0 0 0 -3,-2.1 3,-2.3 -9,-0.2 4,-0.2 0.013 101.3 -44.2-101.5-151.0 6.1 61.0 22.7 46 46 A L G > S+ 0 0 0 -13,-0.4 3,-1.6 1,-0.3 -12,-0.1 0.665 118.7 79.2 -56.5 -20.0 6.1 58.8 25.8 47 47 A L G 3 S+ 0 0 69 -5,-0.5 4,-0.4 1,-0.3 -1,-0.3 0.751 92.6 56.0 -62.4 -16.9 3.1 56.8 24.6 48 48 A R G <> S+ 0 0 40 -3,-2.3 4,-2.3 -6,-0.2 -1,-0.3 0.634 83.1 86.1 -86.4 -17.3 5.7 55.0 22.5 49 49 A L H <> S+ 0 0 0 -3,-1.6 4,-2.7 -4,-0.2 5,-0.3 0.896 82.7 56.8 -54.4 -45.3 7.9 54.1 25.5 50 50 A P H > S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.940 112.2 39.9 -54.1 -50.4 6.1 50.8 26.3 51 51 A V H > S+ 0 0 3 -4,-0.4 4,-2.7 2,-0.2 5,-0.2 0.884 112.4 57.2 -67.8 -35.7 6.5 49.3 22.8 52 52 A Y H X S+ 0 0 4 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.932 110.5 44.5 -57.6 -45.4 10.1 50.6 22.6 53 53 A V H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.881 110.5 54.0 -67.7 -37.5 10.8 48.7 25.8 54 54 A R H X S+ 0 0 100 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.912 107.8 50.4 -63.6 -39.8 9.0 45.6 24.6 55 55 A R H <>S+ 0 0 4 -4,-2.7 5,-2.6 2,-0.2 6,-0.5 0.901 112.4 47.6 -63.2 -40.1 11.1 45.6 21.4 56 56 A L H ><5S+ 0 0 13 -4,-1.8 3,-1.9 4,-0.2 5,-0.3 0.940 110.0 51.8 -65.1 -47.8 14.2 45.9 23.6 57 57 A E H 3<5S+ 0 0 83 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.881 106.6 54.7 -54.8 -41.9 13.0 43.1 25.9 58 58 A A T 3<5S- 0 0 57 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.458 117.9-112.2 -73.9 -1.8 12.5 40.9 22.9 59 59 A G T < 5S+ 0 0 57 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.1 0.740 86.1 120.0 76.3 23.1 16.1 41.4 21.8 60 60 A L < + 0 0 11 -5,-2.6 197,-0.4 -6,-0.2 2,-0.4 0.428 65.1 57.4 -98.4 -1.6 15.0 43.4 18.7 61 61 A V S S- 0 0 11 -6,-0.5 22,-0.2 -5,-0.3 -2,-0.1 -0.999 86.8-121.4-132.0 131.3 16.8 46.5 19.7 62 62 A N B -b 83 0B 44 20,-2.6 22,-0.6 -2,-0.4 -6,-0.1 -0.593 18.4-158.8 -71.9 120.2 20.6 46.7 20.3 63 63 A P S S+ 0 0 46 0, 0.0 -41,-2.7 0, 0.0 -38,-0.3 0.734 85.4 18.5 -74.2 -20.0 21.0 48.0 23.9 64 64 A S S S- 0 0 67 -43,-0.2 -41,-0.0 -39,-0.1 19,-0.0 -0.394 76.4-179.1-150.4 66.6 24.6 49.2 23.3 65 65 A P - 0 0 4 0, 0.0 16,-0.1 0, 0.0 -40,-0.1 -0.345 24.8-147.4 -68.1 149.1 25.5 49.7 19.6 66 66 A T - 0 0 112 13,-0.0 15,-0.1 15,-0.0 14,-0.1 0.636 31.5-140.4 -88.5 -16.7 29.0 50.9 18.8 67 67 A L - 0 0 8 1,-0.1 13,-0.1 13,-0.1 14,-0.0 0.955 12.3-140.6 56.4 63.8 27.6 52.7 15.8 68 68 A P - 0 0 58 0, 0.0 11,-2.3 0, 0.0 2,-0.4 -0.244 21.0-166.3 -53.4 131.1 30.3 52.1 13.1 69 69 A L E -C 78 0C 75 9,-0.2 2,-0.4 7,-0.0 9,-0.2 -0.983 11.8-174.3-128.7 132.2 30.8 55.2 11.0 70 70 A E E -C 77 0C 119 7,-2.2 7,-2.5 -2,-0.4 2,-0.3 -0.993 10.8-175.9-127.0 130.7 32.7 55.5 7.7 71 71 A E E +C 76 0C 97 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.909 18.1 176.0-129.0 154.7 33.3 58.9 6.0 72 72 A R E > -C 75 0C 221 3,-2.5 3,-1.8 -2,-0.3 -2,-0.0 -0.848 69.5 -45.1-154.6 111.0 34.8 60.2 2.7 73 73 A G T 3 S- 0 0 36 -2,-0.3 -1,-0.2 1,-0.2 30,-0.1 -0.392 125.2 -15.1 62.7-135.6 34.7 63.9 2.0 74 74 A P T 3 S+ 0 0 53 0, 0.0 33,-2.7 0, 0.0 2,-0.4 0.308 121.3 89.1 -83.2 9.2 31.2 65.3 2.8 75 75 A V E < +Cd 72 107C 73 -3,-1.8 -3,-2.5 31,-0.2 2,-0.3 -0.907 48.3 175.9-116.1 137.4 29.6 61.9 3.0 76 76 A A E -Cd 71 108C 1 31,-2.4 33,-2.7 -2,-0.4 2,-0.4 -0.982 15.4-155.1-135.2 145.5 29.2 59.5 5.9 77 77 A L E -Cd 70 109C 57 -7,-2.5 -7,-2.2 -2,-0.3 2,-0.4 -0.979 14.3-160.8-119.2 133.1 27.4 56.1 6.2 78 78 A L E -Cd 69 110C 0 31,-2.5 33,-2.6 -2,-0.4 2,-0.7 -0.969 10.7-153.1-121.1 130.0 26.3 55.0 9.6 79 79 A D E - 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