==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JAN-88 8LDH . COMPND 2 MOLECULE: M4 APO-LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SQUALUS ACANTHIAS; . AUTHOR C.ABAD-ZAPATERO,M.G.ROSSMANN . 329 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17155.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 8.5 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 . 2 0.6 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 . 23 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 1 0 0 0 0 0 1 1 1 0 2 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 . 2 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 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 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 A 0 0 133 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 28.9 -37.1 8.6 18.9 2 2 A T > - 0 0 72 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.942 360.0-125.8-121.4 142.0 -33.9 9.9 17.4 3 3 A L H > S+ 0 0 135 -2,-0.3 4,-1.6 1,-0.2 3,-0.3 0.954 116.7 49.9 -51.7 -49.7 -32.7 8.8 13.9 4 4 A K H > S+ 0 0 158 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.831 112.2 46.4 -53.7 -42.7 -29.4 7.9 15.7 5 5 A D H 4 S+ 0 0 110 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.711 111.7 51.0 -79.2 -25.1 -31.3 5.9 18.4 6 6 A K H < S+ 0 0 181 -4,-2.2 -2,-0.2 -3,-0.3 -1,-0.2 0.743 120.9 34.5 -80.5 -24.2 -33.5 4.1 15.8 7 7 A L H < S+ 0 0 120 -4,-1.6 2,-0.5 -5,-0.2 -2,-0.2 0.712 110.8 53.5-108.4 -27.4 -30.5 3.1 13.8 8 8 A I < - 0 0 95 -4,-2.0 -1,-0.2 -5,-0.2 2,-0.1 -0.962 62.5-177.5-119.2 114.5 -27.5 2.4 16.0 9 9 A G - 0 0 62 -2,-0.5 2,-0.4 -3,-0.1 -3,-0.0 -0.177 17.2-116.8 -99.0-171.6 -27.9 -0.1 18.9 10 10 A H - 0 0 156 -2,-0.1 2,-0.2 4,-0.0 4,-0.1 -0.963 3.6-134.4-140.9 146.2 -25.5 -1.2 21.6 11 11 A L - 0 0 156 -2,-0.4 0, 0.0 2,-0.2 0, 0.0 -0.554 40.0-115.4 -78.4 156.3 -23.6 -4.1 23.0 12 12 A A S S+ 0 0 108 -2,-0.2 2,-0.4 2,-0.0 -1,-0.1 0.570 98.4 58.6 -68.7 -11.7 -23.9 -4.2 26.9 13 13 A T + 0 0 121 2,-0.0 2,-0.3 0, 0.0 -2,-0.2 -0.944 61.0 144.3-129.9 141.1 -20.1 -3.6 27.0 14 14 A S - 0 0 115 -2,-0.4 2,-0.3 -4,-0.1 -4,-0.0 -0.952 30.7-127.1-164.8 173.9 -17.8 -0.9 25.7 15 15 A Q - 0 0 178 -2,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.992 35.1 -93.9-145.9 132.8 -14.7 1.2 26.4 16 16 A E - 0 0 189 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.035 60.2 -85.3 -42.8 133.4 -13.8 4.9 26.5 17 17 A P - 0 0 106 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.146 52.0-162.8 -50.0 168.4 -12.5 6.3 23.2 18 18 A R - 0 0 153 -3,-0.1 2,-0.4 0, 0.0 -3,-0.0 -0.964 29.5-170.6-160.9 142.2 -9.1 6.1 22.2 19 19 A S + 0 0 40 -2,-0.4 3,-0.1 1,-0.1 28,-0.1 -0.999 12.4 168.3-147.3 124.1 -6.2 7.2 20.1 20 20 A Y S S+ 0 0 160 -2,-0.4 -1,-0.1 1,-0.1 27,-0.0 0.586 74.6 44.8-115.9 -23.4 -2.8 5.4 20.2 21 21 A N S S+ 0 0 61 2,-0.1 26,-0.6 69,-0.0 2,-0.1 -0.280 78.9 164.9-119.6 49.6 -0.7 6.7 17.3 22 22 A K E -a 47 0A 14 66,-0.5 68,-3.7 23,-0.2 69,-1.0 -0.425 14.6-173.6 -68.6 133.6 -1.4 10.3 17.8 23 23 A I E -ab 48 91A 0 24,-2.3 26,-2.0 66,-0.2 2,-0.4 -0.978 5.9-159.2-129.2 143.4 0.8 12.9 16.1 24 24 A T E -ab 49 92A 0 67,-2.1 69,-2.3 -2,-0.4 2,-0.4 -0.968 1.9-156.8-123.0 136.0 0.6 16.7 16.5 25 25 A V E -ab 50 93A 0 24,-3.2 26,-3.0 -2,-0.4 2,-0.6 -0.950 7.3-149.9-115.0 134.6 1.9 19.4 14.2 26 26 A V E +ab 51 94A 1 67,-2.8 69,-2.0 -2,-0.4 26,-0.2 -0.919 66.8 26.9-102.4 117.5 2.8 22.9 15.4 27 27 A G - 0 0 4 24,-2.6 25,-0.1 -2,-0.6 24,-0.1 0.367 56.4-145.1 106.0 123.5 2.3 25.7 12.8 28 28 A V + 0 0 1 4,-0.2 -1,-0.1 5,-0.1 24,-0.1 -0.222 62.9 116.8-113.0 47.3 -0.1 25.8 9.9 29 29 A G S > S- 0 0 45 66,-0.1 4,-1.3 1,-0.0 5,-0.1 0.270 90.4 -71.4 -85.4-146.1 2.3 27.8 7.7 30 30 A A H > S+ 0 0 40 2,-0.2 4,-1.0 3,-0.1 5,-0.1 0.796 134.7 43.5 -85.3 -37.6 3.6 26.2 4.4 31 31 A V H > S+ 0 0 33 64,-0.2 4,-2.7 2,-0.2 5,-0.2 0.876 115.0 50.9 -72.9 -41.8 5.9 23.6 6.1 32 32 A G H > S+ 0 0 0 63,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.938 112.0 43.9 -62.2 -54.9 3.3 22.7 8.7 33 33 A M H X S+ 0 0 26 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.793 115.8 50.7 -66.0 -26.5 0.5 22.1 6.2 34 34 A A H X S+ 0 0 3 -4,-1.0 4,-1.1 2,-0.2 -2,-0.2 0.908 112.1 45.4 -78.6 -42.9 3.0 20.2 4.0 35 35 A C H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.900 113.9 51.7 -62.5 -40.7 4.1 18.1 6.9 36 36 A A H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.828 110.1 45.6 -70.5 -34.0 0.4 17.5 7.9 37 37 A I H X S+ 0 0 56 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.675 112.2 51.0 -82.0 -22.0 -0.9 16.3 4.6 38 38 A S H < S+ 0 0 18 -4,-1.1 4,-0.3 2,-0.2 -2,-0.2 0.815 110.2 49.5 -85.3 -31.8 2.1 14.0 3.9 39 39 A I H ><>S+ 0 0 1 -4,-1.8 5,-1.1 -5,-0.2 3,-0.7 0.935 114.2 46.9 -65.2 -44.5 1.6 12.3 7.3 40 40 A L H ><5S+ 0 0 0 -4,-1.4 3,-1.3 1,-0.2 33,-0.4 0.881 109.5 51.0 -59.5 -48.7 -2.1 12.0 6.5 41 41 A M T 3<5S+ 0 0 124 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.490 110.5 55.0 -65.5 -13.2 -1.6 10.6 3.0 42 42 A K T < 5S- 0 0 77 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.446 100.2-131.2-103.5 -10.9 0.8 8.1 4.6 43 43 A D T < 5 + 0 0 83 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.921 59.4 138.5 53.1 52.5 -1.5 6.6 7.3 44 44 A L < + 0 0 11 -5,-1.1 2,-0.3 1,-0.2 -4,-0.1 0.569 61.1 40.0 -94.9 -16.5 1.1 7.0 10.1 45 45 A A - 0 0 10 -6,-0.2 -23,-0.2 -5,-0.1 -1,-0.2 -0.998 55.9-151.0-142.8 140.8 -1.3 8.2 12.8 46 46 A D S S+ 0 0 46 -2,-0.3 30,-0.5 1,-0.2 2,-0.3 0.285 96.3 29.6 -90.6 7.7 -4.8 7.4 14.1 47 47 A E E -a 22 0A 17 -26,-0.6 -24,-2.3 28,-0.1 2,-0.4 -0.874 64.5-167.3-159.7 136.4 -5.1 11.0 15.2 48 48 A V E -ac 23 77A 1 28,-2.1 30,-2.6 -2,-0.3 2,-0.5 -0.999 7.7-168.4-130.1 121.4 -3.6 14.3 13.9 49 49 A A E -ac 24 78A 0 -26,-2.0 -24,-3.2 -2,-0.4 2,-0.5 -0.955 7.0-154.6-112.9 131.4 -3.7 17.5 16.0 50 50 A L E -ac 25 79A 0 28,-2.8 30,-3.0 -2,-0.5 2,-0.5 -0.935 10.4-170.1-111.7 126.8 -2.8 20.9 14.5 51 51 A V E +ac 26 80A 0 -26,-3.0 -24,-2.6 -2,-0.5 2,-0.3 -0.966 19.5 139.6-126.8 117.9 -1.6 23.7 16.8 52 52 A D - 0 0 16 28,-0.8 -2,-0.0 -2,-0.5 44,-0.0 -0.907 50.2-127.1-146.4 170.2 -1.1 27.3 15.8 53 53 A V S S+ 0 0 89 -2,-0.3 2,-1.2 1,-0.1 28,-0.1 0.647 87.8 89.6 -92.6 -21.3 -1.7 30.7 17.4 54 54 A M > - 0 0 96 1,-0.2 4,-2.1 2,-0.0 5,-0.2 -0.734 63.2-165.4 -85.2 92.8 -3.6 32.1 14.4 55 55 A E H > S+ 0 0 108 -2,-1.2 4,-2.4 2,-0.2 5,-0.2 0.853 79.9 42.0 -32.7 -72.8 -7.2 31.1 15.2 56 56 A D H > S+ 0 0 133 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.912 114.6 48.9 -50.7 -60.0 -8.9 31.6 11.9 57 57 A K H > S+ 0 0 102 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.831 112.5 51.0 -54.3 -39.9 -6.2 30.0 9.7 58 58 A L H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.917 110.5 46.0 -64.7 -51.1 -6.1 27.0 12.1 59 59 A K H X S+ 0 0 132 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.903 114.8 48.7 -62.0 -43.0 -9.8 26.3 12.0 60 60 A G H X S+ 0 0 41 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.759 111.7 48.1 -67.7 -30.7 -9.9 26.7 8.3 61 61 A E H X S+ 0 0 31 -4,-1.4 4,-2.1 -5,-0.2 -1,-0.2 0.880 111.7 51.3 -74.8 -43.4 -6.9 24.4 7.8 62 62 A M H X S+ 0 0 25 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.831 112.4 46.7 -53.5 -48.8 -8.5 21.9 10.0 63 63 A M H X S+ 0 0 75 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.927 107.7 52.9 -70.2 -50.2 -11.7 22.1 8.1 64 64 A D H X S+ 0 0 113 -4,-2.1 4,-0.6 1,-0.2 3,-0.2 0.953 114.8 45.0 -45.5 -56.6 -10.2 21.8 4.6 65 65 A L H >< S+ 0 0 26 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.864 111.5 51.1 -57.4 -48.2 -8.5 18.7 5.9 66 66 A Q H >< S+ 0 0 67 -4,-2.6 3,-2.2 1,-0.2 -1,-0.2 0.846 99.7 64.6 -60.1 -36.5 -11.6 17.2 7.6 67 67 A H H 3< S+ 0 0 142 -4,-3.0 3,-0.3 1,-0.3 -1,-0.2 0.767 98.4 55.9 -64.7 -19.7 -13.7 17.6 4.5 68 68 A G T X< S+ 0 0 20 -3,-1.0 3,-2.3 -4,-0.6 4,-0.4 0.232 71.2 118.9 -93.6 7.6 -11.5 15.1 2.7 69 69 A S G X + 0 0 56 -3,-2.2 3,-1.9 1,-0.3 5,-0.2 0.783 66.4 61.0 -41.8 -51.4 -12.1 12.4 5.4 70 70 A L G 3 S+ 0 0 152 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.692 104.2 51.5 -49.0 -26.6 -13.7 10.0 3.0 71 71 A F G < S+ 0 0 172 -3,-2.3 -1,-0.3 2,-0.0 -2,-0.2 0.569 108.3 61.0 -94.2 -10.1 -10.4 9.9 1.0 72 72 A L < - 0 0 28 -3,-1.9 -31,-0.1 -4,-0.4 -32,-0.0 -0.509 67.2-138.3-111.4 179.0 -8.2 9.2 4.0 73 73 A H + 0 0 152 -33,-0.4 2,-0.6 -2,-0.2 -3,-0.1 -0.047 68.7 107.3-127.4 19.5 -7.6 6.7 6.7 74 74 A T - 0 0 8 -5,-0.2 -28,-0.1 1,-0.1 -2,-0.1 -0.938 53.1-160.3-110.6 118.3 -7.0 9.0 9.7 75 75 A A + 0 0 97 -2,-0.6 2,-0.5 1,-0.2 -28,-0.1 0.812 69.8 37.4 -65.9 -39.9 -10.0 8.8 12.0 76 76 A K + 0 0 105 -30,-0.5 -28,-2.1 2,-0.0 2,-0.4 -0.962 56.6 180.0-133.7 117.4 -9.6 12.0 13.9 77 77 A I E +c 48 0A 12 -2,-0.5 2,-0.3 -30,-0.2 -28,-0.2 -0.936 17.3 165.0-114.2 133.1 -8.4 15.4 12.8 78 78 A V E -c 49 0A 28 -30,-2.6 -28,-2.8 -2,-0.4 2,-0.3 -0.980 19.6-160.7-146.5 160.4 -8.3 18.3 15.3 79 79 A S E +c 50 0A 23 -2,-0.3 2,-0.3 -30,-0.3 -28,-0.2 -0.988 11.8 178.0-142.1 145.4 -6.8 21.7 15.8 80 80 A G E -c 51 0A 9 -30,-3.0 -28,-0.8 -2,-0.3 -2,-0.0 -0.990 37.3-161.1-155.7 145.9 -6.2 23.9 18.8 81 81 A K S S+ 0 0 110 -2,-0.3 2,-0.2 -30,-0.2 -1,-0.1 0.686 93.2 74.7 -84.6 -27.2 -4.7 27.3 19.9 82 82 A D S > S- 0 0 93 1,-0.1 3,-0.8 -3,-0.1 4,-0.1 -0.613 82.7-139.7 -85.9 146.0 -4.6 25.5 23.3 83 83 A Y G > S+ 0 0 22 -2,-0.2 3,-2.6 1,-0.2 4,-0.3 0.720 92.4 78.8 -83.7 -16.8 -1.9 22.8 23.8 84 84 A S G > S+ 0 0 53 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.698 81.3 72.3 -64.3 -17.1 -4.2 20.3 25.7 85 85 A V G < S+ 0 0 45 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.685 95.3 51.5 -65.6 -19.0 -5.4 19.4 22.1 86 86 A S G X S+ 0 0 0 -3,-2.6 3,-0.9 -4,-0.1 2,-0.3 0.427 78.9 138.6 -99.9 -0.9 -2.1 17.7 21.6 87 87 A A T < + 0 0 48 -3,-1.0 41,-0.2 -4,-0.3 -3,-0.1 -0.231 68.2 20.5 -44.2 99.1 -2.4 15.7 24.8 88 88 A G T 3 S+ 0 0 44 39,-0.8 -66,-0.5 -2,-0.3 -1,-0.2 0.730 80.7 159.8 115.5 27.6 -1.2 12.2 24.1 89 89 A S < - 0 0 5 -3,-0.9 -66,-0.2 35,-0.2 -1,-0.2 -0.548 35.6-159.1 -86.8 147.1 1.0 12.5 21.1 90 90 A K S S+ 0 0 79 -68,-3.7 42,-1.5 1,-0.3 2,-0.3 0.840 85.5 20.0 -79.5 -42.4 3.6 9.9 20.1 91 91 A L E -bd 23 132A 0 -69,-1.0 -67,-2.1 40,-0.2 2,-0.4 -0.989 62.4-161.5-138.8 139.4 5.3 12.5 18.0 92 92 A V E -bd 24 133A 0 40,-1.9 42,-4.1 -2,-0.3 2,-0.5 -0.986 5.2-162.7-122.8 127.5 5.4 16.3 17.8 93 93 A V E -bd 25 134A 0 -69,-2.3 -67,-2.8 -2,-0.4 2,-0.5 -0.963 10.1-156.6-106.9 122.2 6.6 18.2 14.7 94 94 A I E +bd 26 135A 1 40,-2.2 42,-2.1 -2,-0.5 43,-1.5 -0.917 27.8 156.3-104.9 123.0 7.5 21.9 15.3 95 95 A T + 0 0 23 -69,-2.0 2,-0.5 -2,-0.5 -63,-0.2 -0.003 38.0 114.3-132.2 24.5 7.4 24.3 12.3 96 96 A A + 0 0 16 -69,-0.1 2,-0.3 -65,-0.1 41,-0.1 -0.890 37.1 121.5-104.6 132.0 6.9 27.5 14.1 97 97 A G - 0 0 39 -2,-0.5 2,-0.2 40,-0.1 -2,-0.0 -0.958 58.3 -94.9-173.8 173.6 9.6 30.1 14.0 98 98 A A - 0 0 17 -2,-0.3 40,-0.1 11,-0.2 15,-0.1 -0.606 31.9-135.2 -95.6 159.7 10.5 33.7 13.0 99 99 A R - 0 0 212 -2,-0.2 10,-0.1 1,-0.0 -1,-0.0 0.443 39.1-103.9-110.0 3.6 12.2 34.2 9.6 100 100 A Q - 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