==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-JUL-07 2V65 . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CHAMPSOCEPHALUS GUNNARI; . AUTHOR N.COQUELLE,D.MADERN,F.VELLIEUX . 651 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 462 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 8.6 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 47 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 2 2 0 0 0 4 1 0 5 0 0 4 0 0 1 1 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 8 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 . 4 6 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 2 A S > 0 0 91 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-179.6 17.0 -90.3 -46.6 2 3 A T H > + 0 0 113 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.921 360.0 56.6 -72.6 -43.2 13.9 -89.1 -48.4 3 4 A K H > S+ 0 0 139 1,-0.2 4,-3.0 2,-0.2 3,-0.3 0.938 110.4 46.1 -53.5 -50.3 15.3 -85.7 -49.3 4 5 A E H 4 S+ 0 0 139 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.826 109.0 52.2 -58.8 -43.2 18.2 -87.4 -51.1 5 6 A K H < S+ 0 0 186 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.860 120.2 37.7 -60.6 -30.8 16.1 -89.8 -52.9 6 7 A L H < S+ 0 0 138 -4,-1.9 2,-0.4 -3,-0.3 -2,-0.2 0.814 116.2 41.8 -94.2 -35.4 14.0 -86.8 -54.1 7 8 A I < - 0 0 95 -4,-3.0 2,-0.5 -5,-0.2 -1,-0.2 -0.960 52.2-169.0-129.0 131.3 16.5 -84.0 -54.7 8 9 A S - 0 0 93 -2,-0.4 2,-0.4 -3,-0.1 -4,-0.0 -0.964 25.9-129.5-117.2 123.5 19.9 -83.7 -56.3 9 10 A H + 0 0 151 -2,-0.5 -2,-0.0 1,-0.1 0, 0.0 -0.552 25.2 179.2 -72.7 123.0 21.9 -80.4 -55.9 10 11 A V + 0 0 137 -2,-0.4 2,-0.5 1,-0.0 -1,-0.1 0.031 49.6 96.5-115.5 24.3 23.1 -79.3 -59.3 11 12 A M - 0 0 86 1,-0.2 -2,-0.0 2,-0.0 -1,-0.0 -0.946 47.4-172.3-120.0 117.2 24.9 -76.1 -58.3 12 13 A K + 0 0 217 -2,-0.5 -1,-0.2 2,-0.1 2,-0.1 0.919 65.4 62.6 -69.7 -47.0 28.6 -76.3 -57.8 13 14 A E S S- 0 0 140 1,-0.1 3,-0.1 0, 0.0 -2,-0.0 -0.379 95.2 -85.8 -90.1 161.0 29.2 -72.8 -56.3 14 15 A E - 0 0 157 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.298 52.3 -97.7 -62.7 141.2 27.9 -71.2 -53.1 15 16 A P - 0 0 88 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.228 25.5-126.7 -56.9 148.2 24.5 -69.5 -53.3 16 17 A V - 0 0 98 1,-0.1 -2,-0.1 -3,-0.1 0, 0.0 0.678 46.8-143.9 -73.5 -15.6 24.6 -65.7 -53.7 17 18 A G - 0 0 44 2,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.066 37.8 -24.8 75.0 168.6 22.4 -65.2 -50.7 18 19 A S - 0 0 26 1,-0.1 28,-0.0 -3,-0.1 26,-0.0 -0.132 47.0-176.9 -59.7 148.5 19.7 -62.7 -49.9 19 20 A R S S+ 0 0 163 1,-0.1 -1,-0.1 69,-0.0 67,-0.0 0.494 78.2 43.7-126.2 -9.5 19.7 -59.4 -51.8 20 22 A S S S+ 0 0 34 2,-0.1 26,-0.4 68,-0.0 2,-0.2 -0.104 78.9 163.4-125.0 31.3 16.8 -57.3 -50.4 21 23 A K - 0 0 12 65,-0.4 67,-4.8 23,-0.2 68,-1.3 -0.327 14.3-174.3 -65.4 126.1 17.5 -58.2 -46.8 22 24 A V E -ab 47 89A 0 24,-2.7 26,-2.7 65,-0.2 2,-0.4 -0.942 7.8-158.6-117.6 141.8 15.8 -56.0 -44.2 23 25 A T E -ab 48 90A 0 66,-2.5 68,-2.6 -2,-0.4 2,-0.6 -0.971 3.3-157.0-119.0 134.1 16.4 -56.2 -40.4 24 26 A V E -ab 49 91A 0 24,-3.0 26,-1.3 -2,-0.4 2,-0.7 -0.944 11.0-150.8-108.7 113.0 13.9 -54.8 -37.9 25 27 A V E +ab 50 92A 1 66,-2.5 68,-2.2 -2,-0.6 69,-0.4 -0.747 66.1 31.3 -82.2 116.2 15.6 -54.0 -34.6 26 28 A G - 0 0 1 24,-3.5 25,-0.2 -2,-0.7 65,-0.0 0.323 58.4-143.6 110.9 125.9 13.0 -54.5 -31.8 27 29 A V + 0 0 0 4,-0.1 -1,-0.1 3,-0.1 24,-0.1 0.053 58.4 118.6-114.3 30.5 10.0 -56.7 -31.3 28 30 A G S > S- 0 0 36 1,-0.1 4,-2.1 4,-0.0 3,-0.5 -0.172 91.8 -79.8 -66.1 179.6 7.6 -54.4 -29.5 29 31 A M H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.760 132.7 57.8 -61.1 -23.1 4.4 -53.8 -31.3 30 32 A V H > S+ 0 0 37 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.897 107.5 45.9 -74.4 -39.4 6.1 -51.2 -33.5 31 33 A G H > S+ 0 0 0 -3,-0.5 4,-3.3 2,-0.2 -2,-0.2 0.924 114.6 46.8 -64.2 -46.0 8.6 -53.7 -34.8 32 34 A M H X S+ 0 0 12 -4,-2.1 4,-3.7 1,-0.2 5,-0.3 0.911 112.1 50.1 -67.3 -41.0 6.1 -56.4 -35.5 33 35 A A H X S+ 0 0 0 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.818 113.9 46.6 -64.1 -33.0 3.7 -53.9 -37.2 34 36 A S H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.924 116.3 45.8 -69.3 -44.9 6.8 -52.9 -39.3 35 37 A A H X S+ 0 0 0 -4,-3.3 4,-2.3 2,-0.2 -2,-0.2 0.905 113.1 46.0 -67.6 -44.4 7.7 -56.5 -39.9 36 38 A I H X S+ 0 0 64 -4,-3.7 4,-2.4 1,-0.2 -1,-0.2 0.895 112.9 50.7 -71.9 -33.5 4.2 -57.8 -40.8 37 39 A S H X S+ 0 0 18 -4,-1.3 4,-0.8 -5,-0.3 -1,-0.2 0.877 111.5 48.9 -65.1 -38.8 3.6 -54.9 -43.1 38 40 A I H <>S+ 0 0 0 -4,-2.0 5,-1.3 1,-0.2 6,-0.3 0.879 115.1 44.3 -64.8 -41.8 6.9 -55.5 -44.9 39 41 A L H ><5S+ 0 0 2 -4,-2.3 3,-1.9 1,-0.2 33,-0.3 0.906 109.2 55.9 -70.0 -40.3 6.2 -59.1 -45.3 40 42 A L H 3<5S+ 0 0 119 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.685 110.5 47.1 -71.0 -16.9 2.5 -58.6 -46.4 41 43 A K T 3<5S- 0 0 86 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.360 106.6-122.9-106.9 12.5 3.6 -56.5 -49.2 42 44 A D T < 5 + 0 0 75 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.960 57.7 145.8 41.2 72.5 6.5 -58.6 -50.6 43 45 A L < + 0 0 12 -5,-1.3 2,-0.3 1,-0.2 -4,-0.1 0.671 57.2 25.7-109.5 -21.0 9.2 -56.0 -50.2 44 46 A C - 0 0 10 -6,-0.3 -1,-0.2 -5,-0.1 -23,-0.2 -0.952 60.3-132.3-143.8 162.4 12.3 -58.1 -49.4 45 47 A D S S+ 0 0 54 -2,-0.3 29,-1.7 1,-0.3 2,-0.3 0.538 97.3 25.1 -92.4 -6.4 13.8 -61.6 -49.9 46 48 A E E - c 0 74A 15 -26,-0.4 -24,-2.7 27,-0.2 2,-0.5 -0.897 61.4-165.6-158.1 128.4 14.7 -61.9 -46.2 47 49 A L E -ac 22 75A 0 27,-2.8 29,-2.4 -2,-0.3 2,-0.4 -0.964 12.8-169.8-116.3 121.6 13.4 -60.3 -43.0 48 50 A A E -ac 23 76A 0 -26,-2.7 -24,-3.0 -2,-0.5 2,-0.3 -0.878 3.3-159.4-111.0 142.4 15.5 -60.5 -39.8 49 51 A M E +ac 24 77A 0 27,-1.6 29,-1.9 -2,-0.4 2,-0.3 -0.858 10.2 177.6-118.0 156.8 14.5 -59.6 -36.3 50 52 A V E +a 25 0A 0 -26,-1.3 -24,-3.5 -2,-0.3 2,-0.3 -0.972 11.2 144.3-159.6 140.5 16.6 -58.7 -33.2 51 53 A D - 0 0 27 27,-0.3 6,-0.1 -2,-0.3 -2,-0.0 -0.953 51.0-116.3-171.3 155.3 16.0 -57.7 -29.6 52 54 A V S S+ 0 0 111 -2,-0.3 2,-1.8 1,-0.2 3,-0.1 0.760 98.9 83.7 -75.8 -24.7 17.5 -58.3 -26.2 53 55 A M > - 0 0 103 1,-0.2 4,-2.4 2,-0.1 -1,-0.2 -0.582 65.0-176.4 -79.9 83.3 14.4 -60.0 -25.0 54 56 A E H > S+ 0 0 79 -2,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.849 74.6 47.0 -53.8 -48.1 15.3 -63.4 -26.5 55 57 A D H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.938 112.5 48.8 -62.4 -47.7 12.1 -65.3 -25.6 56 58 A K H > S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.925 113.4 50.1 -58.0 -43.3 9.8 -62.6 -26.8 57 59 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.953 107.6 50.4 -57.7 -56.2 11.8 -62.5 -30.0 58 60 A K H X S+ 0 0 104 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.804 110.6 51.6 -57.0 -30.3 11.8 -66.3 -30.6 59 61 A G H X S+ 0 0 41 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.902 111.9 44.9 -75.6 -41.0 7.9 -66.3 -30.2 60 62 A E H X S+ 0 0 42 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.936 117.6 44.5 -59.3 -50.0 7.4 -63.5 -32.7 61 63 A V H X S+ 0 0 6 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.863 112.6 50.3 -71.6 -36.6 9.8 -65.0 -35.2 62 64 A M H X S+ 0 0 102 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.901 110.4 52.3 -62.7 -40.5 8.4 -68.6 -34.8 63 65 A D H < S+ 0 0 104 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.930 112.1 43.2 -64.7 -46.6 4.9 -67.2 -35.3 64 66 A L H >< S+ 0 0 17 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.873 108.8 58.8 -68.7 -37.1 5.8 -65.4 -38.5 65 67 A Q H >< S+ 0 0 82 -4,-2.4 3,-2.2 1,-0.3 -1,-0.2 0.917 97.4 63.3 -56.7 -36.3 7.8 -68.4 -39.7 66 68 A H T 3< S+ 0 0 141 -4,-1.8 3,-0.3 1,-0.3 -1,-0.3 0.699 100.4 51.4 -64.9 -21.7 4.6 -70.4 -39.4 67 69 A G T X + 0 0 20 -3,-1.3 3,-2.4 -4,-0.5 -1,-0.3 0.288 69.5 121.3 -92.0 11.0 2.9 -68.3 -42.1 68 70 A S G X + 0 0 58 -3,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.631 64.0 69.8 -48.8 -15.7 5.7 -68.7 -44.6 69 71 A L G 3 S+ 0 0 146 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.832 100.5 43.1 -72.3 -32.9 3.1 -70.3 -47.0 70 72 A F G < S+ 0 0 165 -3,-2.4 -1,-0.2 2,-0.0 2,-0.2 0.257 114.1 67.4 -96.7 13.1 1.3 -67.0 -47.7 71 73 A L < - 0 0 34 -3,-0.7 -31,-0.1 -4,-0.3 -32,-0.0 -0.691 62.2-148.9-131.0 179.7 4.6 -65.1 -48.0 72 74 A K + 0 0 152 -33,-0.3 2,-0.4 -2,-0.2 -3,-0.1 0.056 67.6 89.6-140.3 24.7 7.6 -64.7 -50.1 73 75 A T S S- 0 0 9 -5,-0.1 2,-0.3 -27,-0.0 -27,-0.2 -0.967 70.9-123.7-130.0 143.4 10.3 -63.8 -47.6 74 76 A K E -c 46 0A 126 -29,-1.7 -27,-2.8 -2,-0.4 2,-0.5 -0.662 32.4-146.4 -76.6 135.0 12.7 -65.9 -45.6 75 77 A I E +c 47 0A 10 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.919 24.1 165.5-116.9 122.9 12.3 -65.1 -41.9 76 78 A V E +c 48 0A 28 -29,-2.4 -27,-1.6 -2,-0.5 2,-0.3 -0.867 5.5 174.4-124.5 162.0 15.1 -65.1 -39.3 77 79 A G E +c 49 0A 21 -2,-0.3 2,-0.3 -29,-0.3 -27,-0.2 -0.849 9.8 149.2-168.6 128.2 15.5 -63.8 -35.8 78 80 A D - 0 0 59 -29,-1.9 -27,-0.3 -2,-0.3 -2,-0.0 -0.984 48.2-123.4-157.9 163.2 18.1 -64.0 -33.1 79 83 A K S S+ 0 0 93 -2,-0.3 2,-0.3 -29,-0.2 -1,-0.1 0.853 94.4 80.1 -78.9 -37.8 19.7 -62.1 -30.2 80 84 A D S > S- 0 0 73 1,-0.1 3,-1.4 -3,-0.1 4,-0.1 -0.559 82.0-136.7 -70.2 134.4 23.1 -62.3 -31.7 81 85 A Y G > S+ 0 0 27 -2,-0.3 3,-0.9 1,-0.3 4,-0.2 0.422 91.3 84.6 -77.8 0.7 23.5 -59.6 -34.4 82 86 A S G > S+ 0 0 62 1,-0.2 3,-0.8 2,-0.2 -1,-0.3 0.681 81.8 68.0 -72.6 -13.2 25.2 -61.9 -36.9 83 87 A V G < S+ 0 0 26 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.760 94.9 54.5 -72.6 -25.5 21.7 -62.8 -37.8 84 88 A T G X S+ 0 0 1 -3,-0.9 3,-0.9 -4,-0.1 -1,-0.2 0.470 82.1 139.8 -85.2 -2.6 21.2 -59.3 -39.2 85 89 A A T < + 0 0 32 -3,-0.8 38,-0.2 1,-0.2 -3,-0.1 -0.022 64.5 12.3 -49.5 142.2 24.2 -59.6 -41.5 86 90 A N T 3 S+ 0 0 91 36,-2.3 -65,-0.4 1,-0.2 -1,-0.2 0.763 82.5 163.1 63.4 32.4 24.1 -58.2 -45.0 87 91 A S < - 0 0 4 -3,-0.9 -65,-0.2 1,-0.1 -1,-0.2 -0.484 33.7-157.4 -73.6 148.3 20.9 -56.2 -44.6 88 92 A K S S+ 0 0 88 -67,-4.8 39,-2.4 1,-0.3 2,-0.4 0.789 84.4 24.5 -89.2 -35.6 20.1 -53.4 -47.1 89 93 A V E -bd 22 127A 0 -68,-1.3 -66,-2.5 37,-0.2 2,-0.5 -0.978 63.6-164.8-130.7 139.8 17.9 -51.6 -44.6 90 94 A V E -bd 23 128A 0 37,-2.6 39,-2.2 -2,-0.4 2,-0.8 -0.912 8.6-160.6-126.6 106.7 17.9 -51.6 -40.8 91 95 A V E -bd 24 129A 0 -68,-2.6 -66,-2.5 -2,-0.5 2,-0.6 -0.770 9.7-154.6 -91.4 112.4 14.8 -50.3 -39.2 92 96 A V E +bd 25 130A 0 37,-1.8 39,-2.2 -2,-0.8 40,-1.0 -0.772 30.0 153.9 -91.4 118.6 15.6 -49.3 -35.6 93 97 A T + 0 0 17 -68,-2.2 -67,-0.2 -2,-0.6 40,-0.2 0.454 24.4 128.5-124.3 -4.6 12.6 -49.3 -33.3 94 98 A A + 0 0 22 -69,-0.4 38,-0.2 38,-0.1 2,-0.1 -0.336 37.9 164.3 -66.0 145.5 14.0 -50.0 -29.8 95 99 A G 0 0 37 1,-0.2 -1,-0.1 16,-0.1 -2,-0.0 -0.450 360.0 360.0-148.1-170.7 12.9 -47.5 -27.2 96 100 A A 0 0 88 37,-0.3 -1,-0.2 -2,-0.1 9,-0.0 0.363 360.0 360.0 -94.7 360.0 12.2 -46.1 -23.6 97 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 98 106 A G 0 0 135 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.7 8.3 -38.5 -13.5 99 107 A E - 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