==== 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 10-JUL-03 1PZH . COMPND 2 MOLECULE: LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR K.L.KAVANAGH,R.A.ELLING,D.K.WILSON . 1310 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 978 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 97 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 9.2 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 97 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 488 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.5 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 4 4 0 0 2 0 0 6 4 0 8 4 0 4 0 0 0 2 0 4 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 7 9 4 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 . 8 14 0 4 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 6 0 0 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 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 14 A P 0 0 156 0, 0.0 2,-0.3 0, 0.0 620,-0.1 0.000 360.0 360.0 360.0 8.2 12.4 -15.3 61.8 2 15 A A - 0 0 74 618,-0.1 2,-0.3 1,-0.1 0, 0.0 -0.523 360.0-117.3 -70.2 128.4 13.2 -11.8 60.3 3 16 A L + 0 0 66 -2,-0.3 617,-0.3 1,-0.2 3,-0.2 -0.473 38.3 169.5 -68.6 128.0 10.8 -9.1 61.5 4 17 A V + 0 0 67 615,-2.9 2,-0.6 1,-0.3 616,-0.2 0.767 69.0 39.8-107.4 -39.8 8.8 -7.7 58.6 5 18 A Q S S- 0 0 14 614,-1.9 2,-0.3 581,-0.2 -1,-0.3 -0.915 73.5-167.7-117.0 105.0 6.1 -5.6 60.3 6 19 A R - 0 0 182 -2,-0.6 583,-0.1 -3,-0.2 3,-0.1 -0.719 25.6-113.2 -92.2 139.1 7.4 -3.7 63.3 7 20 A R - 0 0 31 -2,-0.3 25,-0.1 582,-0.1 581,-0.1 -0.328 37.4-101.7 -65.1 155.6 5.0 -2.0 65.7 8 21 A K - 0 0 37 23,-0.3 25,-2.9 69,-0.1 2,-0.4 -0.401 35.9-142.9 -72.5 157.5 5.0 1.8 65.8 9 22 A K E -a 33 0A 40 67,-0.2 69,-2.1 23,-0.2 70,-1.5 -0.989 14.6-170.9-128.3 126.1 6.9 3.2 68.8 10 23 A V E -ab 34 79A 1 23,-2.6 25,-1.7 -2,-0.4 2,-0.5 -0.974 10.8-151.3-118.2 126.9 5.8 6.3 70.7 11 24 A A E -ab 35 80A 0 68,-2.4 70,-2.7 -2,-0.5 2,-0.8 -0.871 1.2-155.3-101.4 126.8 8.1 7.9 73.3 12 25 A M E -ab 36 81A 0 23,-2.9 25,-2.4 -2,-0.5 2,-1.1 -0.877 7.6-166.3 -98.1 102.1 6.5 9.8 76.2 13 26 A I E S+ab 37 82A 1 68,-1.7 70,-2.4 -2,-0.8 71,-1.4 -0.829 76.7 36.3 -92.5 100.9 9.2 12.3 77.4 14 27 A G - 0 0 2 23,-2.7 24,-0.2 -2,-1.1 23,-0.1 0.186 69.9-160.9 117.7 117.0 7.6 13.2 80.7 15 28 A S + 0 0 0 4,-0.1 23,-0.1 21,-0.1 32,-0.1 -0.060 51.5 112.1-120.7 34.7 5.8 10.5 82.5 16 29 A G S > S- 0 0 28 4,-0.1 4,-2.6 3,-0.0 5,-0.3 0.308 91.8 -47.4 -81.6-143.2 3.6 12.5 84.8 17 30 A M H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.951 140.2 36.7 -60.1 -53.8 -0.1 12.8 84.6 18 31 A I H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.918 116.7 52.5 -68.1 -41.2 -0.4 13.4 80.8 19 32 A G H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.939 112.6 44.2 -61.0 -47.5 2.5 11.1 79.9 20 33 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.910 112.2 53.1 -63.2 -40.2 1.1 8.2 81.8 21 35 A T H X S+ 0 0 1 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.877 108.2 50.0 -64.2 -37.1 -2.4 8.8 80.4 22 36 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.877 108.1 53.7 -68.5 -36.1 -1.2 8.8 76.8 23 37 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.914 106.6 53.7 -61.3 -40.5 0.6 5.5 77.6 24 38 A Y H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.933 106.9 49.9 -60.2 -45.9 -2.8 4.2 78.8 25 39 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 6,-0.3 0.902 109.9 51.8 -62.0 -39.4 -4.5 5.2 75.5 26 40 A C H X>S+ 0 0 1 -4,-2.0 5,-1.9 1,-0.2 4,-0.7 0.913 113.3 43.7 -63.7 -42.1 -1.7 3.4 73.5 27 41 A A H <5S+ 0 0 0 -4,-2.3 3,-0.4 3,-0.2 -2,-0.2 0.894 112.6 52.1 -68.6 -40.8 -2.1 0.2 75.5 28 42 A L H <5S+ 0 0 27 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.862 120.6 33.3 -63.4 -36.2 -6.0 0.4 75.4 29 43 A R H <5S- 0 0 109 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.366 102.2-125.2-101.4 0.9 -6.0 0.7 71.6 30 44 A E T <5 + 0 0 28 -4,-0.7 -3,-0.2 -3,-0.4 -4,-0.1 0.877 61.0 147.6 54.0 38.8 -2.9 -1.4 70.8 31 45 A L < - 0 0 31 -5,-1.9 -23,-0.3 -6,-0.3 2,-0.3 0.848 59.8 -34.6 -74.2 -32.5 -1.7 1.7 69.0 32 46 A A - 0 0 1 -6,-0.5 -1,-0.2 -25,-0.1 -23,-0.2 -0.978 66.3 -77.3-179.0 161.1 2.0 1.3 69.6 33 47 A D E -a 9 0A 38 -25,-2.9 -23,-2.6 -2,-0.3 2,-0.4 -0.500 52.9-144.8 -69.4 148.9 4.8 0.2 71.9 34 49 A V E -ac 10 64A 1 29,-3.2 31,-2.3 -25,-0.2 2,-0.4 -0.949 17.9-167.1-125.0 138.5 5.3 2.8 74.6 35 50 A V E -ac 11 65A 10 -25,-1.7 -23,-2.9 -2,-0.4 2,-0.5 -0.986 10.5-156.1-120.5 133.5 8.4 4.1 76.4 36 51 A L E +ac 12 66A 0 29,-2.7 31,-2.3 -2,-0.4 2,-0.4 -0.957 16.1 179.0-109.7 122.3 8.0 6.2 79.6 37 52 A Y E +ac 13 67A 19 -25,-2.4 -23,-2.7 -2,-0.5 2,-0.3 -0.969 9.8 150.9-124.5 136.9 10.9 8.5 80.3 38 53 A D - 0 0 25 29,-0.5 -2,-0.0 -2,-0.4 -25,-0.0 -0.969 50.1-124.8-155.5 162.4 11.2 10.9 83.2 39 54 A V S S+ 0 0 106 -2,-0.3 2,-0.4 2,-0.1 -1,-0.1 0.669 91.4 89.5 -83.0 -18.5 13.9 12.4 85.4 40 55 A V S S- 0 0 77 2,-0.0 2,-0.2 1,-0.0 -2,-0.1 -0.674 80.2-134.0 -79.4 127.6 12.1 11.1 88.5 41 56 A K S S+ 0 0 131 -2,-0.4 2,-1.5 1,-0.2 -2,-0.1 -0.517 75.0 10.3 -84.6 150.8 13.3 7.6 89.3 42 57 A G S > S+ 0 0 16 -2,-0.2 4,-1.9 1,-0.1 3,-0.3 -0.310 105.1 83.2 83.8 -52.5 11.1 4.7 90.1 43 58 A M H > S+ 0 0 31 -2,-1.5 4,-2.4 1,-0.2 5,-0.2 0.902 88.9 51.2 -56.4 -43.9 7.8 6.3 89.2 44 59 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.907 109.5 52.5 -60.3 -36.4 8.0 5.6 85.4 45 60 A E H > S+ 0 0 53 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.900 108.4 49.7 -66.0 -40.0 8.7 2.0 86.1 46 61 A G H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.919 114.0 45.2 -65.3 -43.0 5.7 1.7 88.4 47 62 A K H X S+ 0 0 13 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.869 111.0 53.2 -67.9 -36.9 3.4 3.2 85.7 48 63 A A H X S+ 0 0 2 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.887 109.8 48.9 -66.1 -36.1 5.0 1.0 83.0 49 64 A L H X S+ 0 0 15 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.950 111.9 48.6 -64.2 -48.9 4.2 -2.1 85.1 50 65 A D H X S+ 0 0 1 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.912 113.7 46.6 -57.3 -46.8 0.6 -0.9 85.6 51 66 A L H X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.851 107.4 56.4 -67.4 -36.4 0.2 -0.2 81.9 52 67 A S H X S+ 0 0 16 -4,-2.2 4,-0.8 1,-0.2 3,-0.4 0.899 105.8 52.5 -63.1 -34.7 1.7 -3.5 80.9 53 68 A H H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 3,-0.5 0.842 99.9 63.0 -68.4 -33.1 -0.9 -5.2 83.1 54 69 A V H X S+ 0 0 0 -4,-1.3 4,-2.8 1,-0.2 -1,-0.2 0.880 92.5 64.5 -58.4 -37.6 -3.7 -3.3 81.2 55 70 A T H <>S+ 0 0 0 -4,-1.2 5,-2.8 -3,-0.4 4,-0.3 0.897 105.0 44.3 -57.5 -39.1 -2.7 -5.0 78.0 56 71 A S H ><5S+ 0 0 0 -4,-0.8 3,-1.5 -3,-0.5 -1,-0.2 0.961 111.5 53.3 -67.2 -49.9 -3.8 -8.4 79.4 57 72 A V H 3<5S+ 0 0 1 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.879 120.1 32.1 -53.5 -42.2 -7.0 -7.0 80.9 58 73AA V T 3<5S- 0 0 32 -4,-2.8 -1,-0.3 2,-0.1 -2,-0.2 0.240 111.9-116.7-102.2 13.3 -8.1 -5.5 77.6 59 73BA D T < 5 + 0 0 39 -3,-1.5 2,-0.3 -4,-0.3 -3,-0.2 0.900 68.2 127.6 59.7 47.0 -6.6 -8.2 75.4 60 74 A T < - 0 0 13 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.795 49.1-138.7-123.2 169.3 -4.0 -6.2 73.5 61 75 A N + 0 0 7 -2,-0.3 2,-0.3 773,-0.1 773,-0.1 -0.793 42.5 127.3-134.8 98.3 -0.3 -6.6 73.0 62 76 A V - 0 0 4 -2,-0.3 2,-0.4 -10,-0.1 -29,-0.1 -0.943 54.7-112.4-135.0 161.7 2.1 -3.7 73.0 63 77 A S - 0 0 44 -2,-0.3 -29,-3.2 -8,-0.0 2,-0.5 -0.813 26.4-170.0 -96.8 129.5 5.3 -3.3 75.1 64 78 A V E +c 34 0A 13 -2,-0.4 2,-0.3 -31,-0.2 -29,-0.2 -0.989 18.4 164.5-120.9 119.3 5.3 -0.6 77.8 65 79 A R E -c 35 0A 132 -31,-2.3 -29,-2.7 -2,-0.5 2,-0.3 -0.971 34.3-133.4-136.5 148.7 8.7 0.1 79.3 66 80 A A E -c 36 0A 10 -2,-0.3 2,-0.4 -31,-0.2 -29,-0.2 -0.774 24.2-168.4 -95.7 146.4 10.3 2.8 81.4 67 81 A E E -c 37 0A 32 -31,-2.3 -29,-0.5 -2,-0.3 -32,-0.0 -0.997 14.6-162.0-133.7 138.1 13.7 4.0 80.1 68 83 A Y S S+ 0 0 78 -2,-0.4 2,-0.3 -31,-0.1 -1,-0.1 0.586 70.0 65.4-101.7 -4.5 16.1 6.1 82.1 69 84 A S S > S- 0 0 60 1,-0.1 4,-2.1 -32,-0.0 5,-0.2 -0.847 77.6-129.3-113.1 152.0 18.4 7.4 79.4 70 85 A Y H > S+ 0 0 34 -2,-0.3 4,-3.0 1,-0.2 5,-0.4 0.919 109.4 55.0 -61.8 -42.0 17.5 9.8 76.5 71 86AA E H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.949 110.1 43.4 -58.6 -48.5 19.1 7.3 74.1 72 86BA A H 4 S+ 0 0 34 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.882 118.2 45.8 -67.8 -34.2 17.1 4.3 75.2 73 87 A A H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.910 121.1 35.3 -74.6 -38.1 13.8 6.3 75.3 74 88 A L H >< S+ 0 0 0 -4,-3.0 3,-2.2 -5,-0.2 -2,-0.2 0.794 84.0 105.4 -90.9 -30.9 14.3 8.1 71.9 75 89 A T T 3< S+ 0 0 66 -4,-2.3 46,-0.2 -5,-0.4 45,-0.1 -0.254 96.4 6.2 -54.2 133.4 16.0 5.6 69.6 76 90 A G T 3 S+ 0 0 56 44,-0.6 2,-0.4 1,-0.2 -1,-0.3 0.522 87.5 154.1 74.1 3.6 13.5 4.3 67.0 77 91 A A < - 0 0 6 -3,-2.2 -1,-0.2 1,-0.2 -67,-0.2 -0.541 30.5-167.6 -72.7 120.6 10.6 6.5 68.1 78 92 A D S S+ 0 0 40 -69,-2.1 47,-1.4 -2,-0.4 2,-0.3 0.814 82.2 13.8 -71.4 -32.5 8.1 7.1 65.3 79 93 A C E -bd 10 125A 0 -70,-1.5 -68,-2.4 45,-0.2 2,-0.5 -0.996 66.9-157.9-145.9 140.9 6.6 9.9 67.4 80 94 A V E -bd 11 126A 0 45,-2.5 47,-2.7 -2,-0.3 2,-0.6 -0.990 6.4-165.3-122.4 123.1 7.8 11.7 70.5 81 95 A I E -bd 12 127A 0 -70,-2.7 -68,-1.7 -2,-0.5 2,-0.6 -0.943 11.6-153.8-112.7 118.8 5.2 13.5 72.7 82 96 A V E +bd 13 128A 0 45,-2.2 47,-2.8 -2,-0.6 48,-1.8 -0.811 36.2 146.2-103.2 113.9 6.8 15.9 75.2 83 97 A T + 0 0 24 -70,-2.4 -69,-0.2 -2,-0.6 48,-0.1 0.278 30.3 134.2-120.1 4.2 5.1 16.8 78.5 84 98 A A + 0 0 20 -71,-1.4 2,-0.2 -70,-0.1 45,-0.1 -0.319 42.9 63.8 -60.5 134.3 8.2 17.2 80.7 85 99 A G S S- 0 0 38 45,-0.1 2,-0.2 24,-0.1 21,-0.1 -0.755 83.1 -51.9 141.8 174.3 8.0 20.3 82.8 86 100 A L - 0 0 66 -2,-0.2 45,-0.3 16,-0.2 3,-0.1 -0.495 26.5-165.4 -81.9 153.2 6.2 22.2 85.6 87 101 A T S S+ 0 0 64 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.669 76.3 20.7-106.1 -31.0 2.5 22.8 85.7 88 102 A K S S- 0 0 38 9,-0.1 -1,-0.3 13,-0.1 11,-0.0 -0.982 79.9-112.6-139.6 148.4 2.4 25.4 88.4 89 103AA V > - 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