==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(CHOH(D)-NAD(A)) 27-MAR-89 2LDB . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR K.PIONTEK,M.G.ROSSMANN . 1204 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 872 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 9.0 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 0.7 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 . 8 0.7 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 . 88 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 416 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.7 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 0 0 4 4 0 8 8 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 8 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 4 4 0 4 0 4 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 . 0 4 0 0 0 0 0 0 4 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 15 A M 0 0 149 0, 0.0 2,-0.0 0, 0.0 573,-0.0 0.000 360.0 360.0 360.0-107.0 -12.9 0.3 27.1 2 16 A K - 0 0 182 0, 0.0 2,-0.4 0, 0.0 572,-0.1 0.323 360.0 -58.0-107.3-123.0 -13.4 3.6 25.3 3 17 A N - 0 0 90 570,-0.1 569,-0.0 -2,-0.0 0, 0.0 -0.951 67.2-152.9-130.0 107.5 -12.2 4.1 21.7 4 18 A N - 0 0 25 -2,-0.4 570,-0.0 2,-0.0 569,-0.0 0.275 18.5-170.2 -64.7-166.2 -8.5 3.5 21.8 5 19 A G + 0 0 21 568,-0.1 3,-0.2 3,-0.0 28,-0.1 -0.009 9.8 176.6 162.9 86.9 -5.6 4.7 19.6 6 20 A G S S+ 0 0 41 1,-0.2 2,-0.3 305,-0.1 305,-0.1 0.392 75.9 56.5 -80.7 -2.9 -2.1 3.2 19.9 7 21 A A + 0 0 16 2,-0.0 25,-2.3 67,-0.0 26,-2.0 -0.624 69.8 161.7-133.2 81.1 -0.6 5.3 17.1 8 22 A R E -a 33 0A 47 -2,-0.3 68,-0.7 65,-0.3 2,-0.4 -0.696 16.4-172.7-109.2 149.0 -1.0 9.0 17.7 9 23 A V E -ab 34 76A 0 24,-0.5 26,-2.1 -2,-0.3 2,-0.5 -0.983 5.7-164.7-139.3 122.0 0.9 12.0 16.2 10 24 A V E -ab 35 77A 0 66,-2.2 68,-3.5 -2,-0.4 2,-0.5 -0.930 6.1-162.5-106.8 125.7 0.6 15.6 17.2 11 25 A V E -ab 36 78A 1 24,-1.2 26,-2.1 -2,-0.5 2,-0.6 -0.956 5.2-157.2-103.1 120.5 2.0 18.2 14.8 12 26 A I E S+ab 37 79A 7 66,-2.1 68,-3.9 -2,-0.5 69,-0.4 -0.981 77.2 36.7 -95.1 118.2 2.6 21.7 16.3 13 27 A G - 0 0 4 24,-2.6 2,-0.5 -2,-0.6 -1,-0.2 0.736 61.3-164.4 96.3 105.2 2.5 23.9 13.3 14 28 A A + 0 0 0 4,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.710 49.4 120.2-115.8 54.9 0.1 23.2 10.5 15 29 A G S > S- 0 0 34 -2,-0.5 4,-3.3 65,-0.2 5,-0.3 -0.215 88.2 -56.5-100.2-156.5 1.8 25.4 7.9 16 30 A F H > S+ 0 0 109 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.751 141.0 39.9 -53.3 -48.7 3.1 24.2 4.6 17 31 A V H > S+ 0 0 29 63,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.899 118.4 47.1 -73.5 -42.7 5.5 21.7 6.2 18 32 A G H > S+ 0 0 0 62,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.921 116.6 41.8 -63.4 -56.7 3.0 20.6 8.8 19 33 A A H X S+ 0 0 0 -4,-3.3 4,-3.5 2,-0.2 5,-0.2 0.841 113.6 50.8 -61.3 -41.2 0.0 20.2 6.5 20 34 A S H X S+ 0 0 4 -4,-1.3 4,-0.9 -5,-0.3 -1,-0.2 0.723 111.1 51.7 -72.6 -24.1 1.9 18.5 3.6 21 35 A Y H X S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.889 110.3 47.3 -71.6 -54.1 3.3 16.1 6.2 22 36 A V H >X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 3,-0.6 0.961 111.4 49.5 -49.2 -61.0 -0.1 15.3 7.5 23 37 A F H 3X S+ 0 0 1 -4,-3.5 4,-2.5 1,-0.3 -1,-0.2 0.849 110.2 55.3 -56.6 -28.3 -1.4 14.8 3.9 24 38 A A H 3< S+ 0 0 0 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.914 108.6 45.4 -61.6 -51.7 1.7 12.6 3.5 25 39 A L H XX>S+ 0 0 0 -4,-1.9 3,-2.8 -3,-0.6 5,-1.3 0.995 116.7 43.5 -55.1 -71.8 0.8 10.4 6.5 26 40 A M H 3<5S+ 0 0 4 -4,-1.6 3,-0.3 1,-0.3 -1,-0.2 0.739 112.0 50.9 -37.5 -60.5 -2.9 10.0 5.6 27 41 A N T 3<5S+ 0 0 5 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.414 116.1 47.0 -59.9 -12.7 -2.3 9.4 1.9 28 42 A Q T <45S- 0 0 54 -3,-2.8 -2,-0.3 -5,-0.1 -1,-0.2 0.480 105.8-124.8-113.2 -3.1 0.2 6.8 3.1 29 43 A G T <5 + 0 0 47 -4,-1.1 -3,-0.2 -3,-0.3 -4,-0.1 0.770 66.7 133.0 68.9 36.1 -1.9 5.0 5.8 30 44 A I < + 0 0 15 -5,-1.3 -4,-0.1 -6,-0.1 2,-0.1 0.990 52.3 33.5 -90.6 -69.9 0.8 5.6 8.5 31 45 A A - 0 0 6 1,-0.1 -23,-0.2 31,-0.0 3,-0.1 -0.312 62.0-145.5 -80.7-175.9 -0.5 6.9 11.8 32 46 A D S S+ 0 0 45 -25,-2.3 30,-2.0 1,-0.6 2,-0.4 0.733 85.1 21.6-111.7 -55.7 -3.9 6.0 13.3 33 47 A E E -ac 8 62A 22 -26,-2.0 -1,-0.6 28,-0.2 -24,-0.5 -0.892 69.0-168.0-117.3 134.3 -5.0 9.2 15.1 34 48 A I E -ac 9 63A 1 28,-1.2 30,-1.4 -2,-0.4 2,-0.3 -0.893 1.4-168.5-124.2 106.0 -3.4 12.6 13.9 35 49 A V E -ac 10 64A 0 -26,-2.1 -24,-1.2 -2,-0.3 2,-0.4 -0.766 8.1-156.6 -81.3 156.0 -4.0 15.6 16.2 36 50 A L E -a 11 0A 0 28,-0.6 2,-0.3 -2,-0.3 -24,-0.2 -0.997 11.8-179.2-142.4 119.1 -3.1 19.0 14.7 37 51 A I E +a 12 0A 11 -26,-2.1 -24,-2.6 -2,-0.4 2,-0.3 -0.952 6.3 164.9-118.0 140.8 -2.2 22.2 16.8 38 52 A D - 0 0 38 -2,-0.3 6,-0.1 -26,-0.2 -2,-0.0 -0.980 46.5-126.5-157.1 138.3 -1.3 25.7 15.6 39 53 A A S S+ 0 0 113 -2,-0.3 2,-1.3 1,-0.3 3,-0.2 0.779 113.8 66.6 -50.8 -30.5 -1.1 29.1 17.3 40 54 A N S >> S+ 0 0 90 1,-0.2 3,-1.2 2,-0.1 4,-1.1 -0.741 72.7 178.2 -91.7 75.8 -3.4 29.9 14.4 41 55 A E H 3> S+ 0 0 140 -2,-1.3 4,-1.7 1,-0.2 3,-0.4 0.829 74.1 60.9 -52.4 -35.4 -6.2 27.8 15.5 42 56 A S H 3> S+ 0 0 52 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.782 101.3 52.8 -62.6 -35.3 -8.4 28.8 12.6 43 57 A K H <> S+ 0 0 39 -3,-1.2 4,-2.6 2,-0.2 -1,-0.3 0.889 108.9 51.1 -69.6 -37.3 -5.9 27.3 10.1 44 58 A A H X S+ 0 0 0 -4,-1.1 4,-1.9 -3,-0.4 -2,-0.2 0.740 107.8 51.5 -63.6 -40.5 -6.0 24.0 12.0 45 59 A I H X S+ 0 0 37 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.999 114.2 44.2 -59.1 -60.8 -9.8 24.0 11.9 46 60 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 780,-0.3 -2,-0.2 0.798 114.6 47.4 -50.9 -50.4 -9.7 24.5 8.1 47 61 A D H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 -1,-0.3 0.934 113.1 49.3 -58.7 -47.0 -6.9 22.0 7.5 48 62 A A H X S+ 0 0 5 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.860 111.5 49.0 -66.0 -34.5 -8.6 19.4 9.6 49 63 A M H X S+ 0 0 41 -4,-2.3 4,-1.8 2,-0.2 3,-0.5 0.994 112.1 48.4 -58.9 -68.7 -11.9 19.9 7.8 50 64 A D H >X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.3 3,-0.8 0.805 113.1 47.3 -36.7 -57.6 -10.3 19.6 4.5 51 65 A F H >X S+ 0 0 1 -4,-3.2 4,-1.2 1,-0.3 3,-0.6 0.942 109.8 54.1 -54.9 -51.7 -8.4 16.4 5.5 52 66 A N H 3< S+ 0 0 22 -4,-2.5 4,-0.4 -3,-0.5 -1,-0.3 0.763 102.5 56.8 -61.0 -30.8 -11.6 14.9 7.0 53 67 A H H << S+ 0 0 7 -4,-1.8 3,-0.3 -3,-0.8 -1,-0.2 0.908 111.6 41.3 -72.5 -25.8 -13.6 15.3 3.7 54 68 A G H X< S+ 0 0 0 -4,-1.4 3,-1.9 -3,-0.6 4,-0.3 0.627 88.1 98.6 -88.0 -24.3 -11.2 13.3 1.6 55 69 A K G >< S+ 0 0 30 -4,-1.2 3,-3.8 1,-0.3 5,-0.4 0.811 70.3 63.6 -17.7 -69.3 -10.6 10.6 4.2 56 70 A V G 3 S+ 0 0 10 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.488 99.8 55.7 -36.7 -29.7 -13.0 8.0 2.8 57 71 A F G < S+ 0 0 25 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.480 105.5 57.5 -82.2 -27.5 -10.8 7.8 -0.3 58 72 A A S < S- 0 0 10 -3,-3.8 -31,-0.1 -4,-0.3 -32,-0.1 -0.278 104.1 -88.7 -94.8-172.6 -7.7 7.0 1.7 59 73 A P S S- 0 0 75 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.283 74.0 -63.9-104.1 47.4 -7.3 4.0 4.0 60 74 A K + 0 0 52 -5,-0.4 2,-0.3 1,-0.2 -4,-0.1 0.909 65.6 142.2 101.8 64.6 -8.4 5.0 7.5 61 75 A P - 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0 0 78 -7,-3.8 2,-0.3 -2,-0.4 -1,-0.2 0.969 67.3 -32.4 -85.3 -56.9 19.1 -2.9 -19.0 1188 300 D E E - 0 0 106 -8,-0.3 -8,-1.8 -139,-0.0 -1,-0.4 -0.936 54.3-116.2-167.0 146.3 22.7 -4.0 -18.3 1189 301 D V E -P 1179 0G 15 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.550 30.0-137.3 -81.9 155.3 24.7 -6.4 -16.2 1190 302 D I - 0 0 25 -12,-2.0 2,-0.6 -2,-0.2 -23,-0.0 -0.842 1.2-144.4-115.4 143.1 27.1 -4.9 -13.6 1191 303 D E - 0 0 100 -2,-0.3 -14,-0.0 -14,-0.1 -2,-0.0 -0.903 17.1-155.6-103.8 88.9 30.6 -6.2 -12.9 1192 304 D I - 0 0 5 -2,-0.6 2,-1.6 1,-0.1 -1005,-0.1 -0.486 37.8-100.8 -54.2 148.2 31.1 -5.8 -9.1 1193 305 D E - 0 0 100 -1007,-0.1 2,-0.2 -98,-0.0 -1,-0.1 -0.623 50.1-154.5 -79.1 89.3 34.8 -5.6 -8.7 1194 306 D L - 0 0 18 -2,-1.6 -101,-0.0 1,-0.1 -1,-0.0 -0.471 7.4-122.5 -73.0 144.6 35.2 -9.1 -7.6 1195 307 D N > - 0 0 63 -2,-0.2 4,-2.2 4,-0.0 5,-0.2 0.003 32.8 -88.4 -69.9 179.3 38.2 -10.1 -5.4 1196 308 D D H > S+ 0 0 143 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.927 125.0 38.9 -62.1 -61.6 40.9 -12.6 -6.1 1197 309 D D H > S+ 0 0 75 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.707 113.9 58.6 -71.0 -16.2 39.3 -15.7 -4.6 1198 310 D E H >> S+ 0 0 7 2,-0.2 4,-3.9 1,-0.2 3,-1.6 0.990 98.9 54.7 -77.1 -45.2 35.9 -14.6 -5.9 1199 311 D K H 3X S+ 0 0 131 -4,-2.2 4,-2.4 1,-0.3 -1,-0.2 0.824 112.1 47.4 -54.8 -29.6 37.0 -14.5 -9.6 1200 312 D N H 3X S+ 0 0 111 -4,-1.1 4,-1.5 2,-0.2 -1,-0.3 0.819 114.7 44.5 -82.2 -34.8 38.1 -18.1 -9.1 1201 313 D R H X S+ 0 0 63 -4,-1.0 4,-3.9 2,-0.2 3,-0.7 0.927 103.8 47.2 -80.6 -61.9 29.1 -27.9 -18.6 1212 324 D V H 3X S+ 0 0 21 -4,-1.4 4,-1.9 -3,-0.4 -1,-0.2 0.682 109.4 64.3 -51.5 -25.4 25.6 -29.2 -17.8 1213 325 D L H 3< S+ 0 0 17 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.838 112.0 28.6 -71.1 -44.1 24.8 -26.9 -20.8 1214 326 D A H << S+ 0 0 88 -4,-0.9 -2,-0.2 -3,-0.7 -3,-0.1 0.749 120.9 56.3 -89.0 -30.0 26.8 -28.9 -23.4 1215 327 D R H < S+ 0 0 145 -4,-3.9 -3,-0.2 -5,-0.1 -2,-0.2 0.988 118.2 26.4 -56.1 -71.4 26.3 -32.2 -21.5 1216 328 D A S < S+ 0 0 7 -4,-1.9 2,-0.8 -5,-0.1 -3,-0.1 0.575 75.9 99.5 -65.0-141.5 22.5 -32.0 -21.5 1217 329 D F + 0 0 64 2,-0.2 -1,-0.1 -5,-0.1 -3,-0.1 -0.806 48.2 99.1 94.7-105.1 20.3 -30.2 -23.9 1218 330 D T 0 0 112 -2,-0.8 -1,-0.1 -3,-0.1 -2,-0.1 0.055 360.0 360.0 26.9 -99.8 18.8 -32.6 -26.4 1219 331 D R 0 0 202 -208,-0.0 -212,-0.2 -210,-0.0 -2,-0.2 -0.784 360.0 360.0-118.2 360.0 15.5 -32.9 -24.6