==== 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 18-FEB-98 1A5Z . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR G.AUERBACH,R.OSTENDORP,L.PRADE,I.KORNDOERFER,T.DAMS,R.HUBER, . 312 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 9.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 22 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 0 0 0 0 0 0 1 1 1 2 0 0 0 0 0 0 3 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 . 3 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 22 A M 0 0 32 0, 0.0 25,-2.9 0, 0.0 26,-1.3 0.000 360.0 360.0 360.0 170.6 112.0 35.1 47.3 2 23 A K E -a 27 0A 15 65,-0.3 67,-2.6 23,-0.2 68,-1.6 -0.895 360.0-171.8-103.4 129.9 110.3 31.8 46.7 3 24 A I E -ab 28 70A 0 24,-2.4 26,-2.2 -2,-0.5 2,-0.4 -0.964 9.3-161.7-125.0 133.6 107.0 31.2 48.6 4 25 A G E -ab 29 71A 0 66,-2.6 68,-2.8 -2,-0.4 2,-0.4 -0.901 2.6-162.3-110.5 143.7 105.0 28.0 48.8 5 26 A I E -ab 30 72A 0 24,-2.7 26,-2.9 -2,-0.4 2,-0.7 -0.986 3.6-163.5-123.5 118.7 101.3 28.1 49.9 6 27 A V E S+ab 31 73A 5 66,-2.9 68,-1.4 -2,-0.4 69,-0.7 -0.873 71.1 30.9-106.0 104.1 99.8 24.6 51.1 7 28 A G - 0 0 4 24,-3.4 25,-0.2 -2,-0.7 67,-0.2 0.492 63.9-160.4 113.2 93.1 96.0 24.8 51.1 8 29 A L + 0 0 0 4,-0.2 24,-0.1 3,-0.1 67,-0.1 -0.241 44.7 127.4 -96.7 45.0 94.4 27.1 48.5 9 30 A G S > S- 0 0 33 65,-0.4 4,-3.1 -2,-0.1 5,-0.4 -0.004 85.9 -58.1 -78.8-156.6 91.0 27.6 50.1 10 31 A R H > S+ 0 0 114 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.833 141.8 39.5 -54.0 -35.3 89.5 31.0 50.8 11 32 A V H > S+ 0 0 32 63,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.896 114.5 50.2 -82.6 -45.4 92.4 32.0 52.9 12 33 A G H > S+ 0 0 0 62,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.947 115.2 44.1 -60.8 -44.8 95.2 30.4 50.9 13 34 A S H X S+ 0 0 20 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.897 113.5 49.4 -69.2 -37.2 94.0 32.0 47.7 14 35 A S H X S+ 0 0 17 -4,-1.3 4,-2.5 -5,-0.4 5,-0.2 0.935 111.1 51.1 -66.4 -40.2 93.4 35.4 49.4 15 36 A T H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.919 109.7 50.6 -63.2 -38.5 96.9 35.2 50.9 16 37 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.951 110.0 48.4 -65.3 -42.3 98.3 34.4 47.4 17 38 A F H X S+ 0 0 111 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.924 114.2 47.0 -61.9 -45.8 96.6 37.4 45.8 18 39 A A H X S+ 0 0 13 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.916 111.6 49.2 -63.6 -46.9 97.8 39.7 48.5 19 40 A L H X>S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 5,-1.2 0.917 109.3 55.6 -60.0 -42.6 101.4 38.4 48.4 20 41 A L H <5S+ 0 0 9 -4,-2.8 33,-0.6 -5,-0.2 3,-0.3 0.943 108.5 45.6 -54.8 -52.0 101.2 38.9 44.6 21 42 A M H <5S+ 0 0 108 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.779 109.8 54.9 -64.1 -26.9 100.2 42.6 44.9 22 43 A K H <5S- 0 0 96 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.837 104.9-136.5 -73.8 -32.3 102.9 43.2 47.5 23 44 A G T <5 + 0 0 18 -4,-1.8 -3,-0.2 -3,-0.3 -2,-0.1 0.780 60.4 132.4 82.8 33.7 105.4 41.8 45.1 24 45 A F < + 0 0 10 -5,-1.2 2,-0.4 29,-0.0 -4,-0.1 0.697 51.1 77.4 -87.3 -25.0 107.4 39.6 47.5 25 46 A A + 0 0 4 -6,-0.4 -23,-0.2 1,-0.2 3,-0.2 -0.784 40.1 174.9 -96.3 130.2 107.5 36.4 45.4 26 47 A R S S+ 0 0 109 -25,-2.9 30,-3.1 -2,-0.4 2,-0.3 0.755 91.4 18.9 -90.3 -36.3 109.8 35.8 42.5 27 48 A E E S-ac 2 56A 38 -26,-1.3 -24,-2.4 28,-0.3 -1,-0.4 -0.999 73.0-168.8-137.7 132.4 108.3 32.3 42.4 28 49 A M E -ac 3 57A 1 28,-2.5 30,-2.1 -2,-0.3 2,-0.5 -0.959 3.4-163.6-130.3 113.0 105.0 31.1 44.0 29 50 A V E -ac 4 58A 0 -26,-2.2 -24,-2.7 -2,-0.4 2,-0.5 -0.852 6.0-159.2 -99.0 123.7 104.0 27.4 44.4 30 51 A L E -ac 5 59A 0 28,-2.3 30,-1.6 -2,-0.5 2,-0.5 -0.886 11.3-175.7-104.8 123.0 100.4 26.7 45.1 31 52 A I E +a 6 0A 9 -26,-2.9 -24,-3.4 -2,-0.5 2,-0.3 -0.980 14.7 149.1-126.3 120.2 99.7 23.2 46.6 32 53 A D - 0 0 40 -2,-0.5 6,-0.1 28,-0.4 -2,-0.0 -0.971 52.0-122.8-144.8 152.5 96.2 21.9 47.4 33 54 A V S S+ 0 0 134 -2,-0.3 2,-1.3 1,-0.2 3,-0.1 0.758 109.6 66.9 -65.7 -27.3 94.8 18.4 47.4 34 55 A D S > S- 0 0 87 1,-0.2 4,-2.0 2,-0.1 3,-0.4 -0.772 71.4-179.9 -95.1 83.2 92.3 19.6 44.8 35 56 A K H > S+ 0 0 151 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.824 74.4 59.9 -56.9 -37.5 94.9 20.1 42.1 36 57 A K H > S+ 0 0 177 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.913 107.6 45.5 -58.9 -43.9 92.3 21.3 39.5 37 58 A R H > S+ 0 0 87 -3,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.933 112.5 50.7 -66.8 -48.3 91.3 24.2 41.8 38 59 A A H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.878 110.4 50.4 -57.8 -39.3 94.9 25.2 42.6 39 60 A E H X S+ 0 0 116 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.925 109.8 48.1 -66.2 -44.8 95.8 25.2 38.8 40 61 A G H X S+ 0 0 43 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.888 112.2 51.7 -63.8 -35.8 92.8 27.5 37.9 41 62 A D H X S+ 0 0 23 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.914 109.0 49.8 -64.1 -47.3 93.9 29.8 40.7 42 63 A A H X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.956 111.2 48.5 -60.2 -43.4 97.4 29.9 39.4 43 64 A L H X S+ 0 0 99 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.840 109.8 53.2 -65.0 -33.0 96.3 30.7 35.9 44 65 A D H X S+ 0 0 110 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.901 111.3 43.9 -68.5 -45.3 94.0 33.5 37.2 45 66 A L H >X S+ 0 0 17 -4,-2.1 3,-0.9 2,-0.2 4,-0.7 0.885 113.2 53.2 -66.9 -38.3 96.8 35.2 39.1 46 67 A I H >< S+ 0 0 67 -4,-2.4 3,-0.9 1,-0.3 -2,-0.2 0.893 103.9 56.4 -62.8 -38.6 99.1 34.7 36.1 47 68 A H H 3< S+ 0 0 152 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.669 109.2 47.5 -69.0 -13.8 96.6 36.4 33.9 48 69 A G H X< S+ 0 0 26 -3,-0.9 3,-2.2 -4,-0.5 -1,-0.2 0.529 82.6 94.6-104.4 -8.2 96.7 39.4 36.2 49 70 A T G X< + 0 0 36 -3,-0.9 3,-0.7 -4,-0.7 -1,-0.2 0.528 63.9 79.7 -58.7 -16.1 100.5 39.7 36.4 50 71 A P G 3 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.796 100.9 42.8 -63.7 -16.9 100.6 42.2 33.6 51 72 A F G < S+ 0 0 191 -3,-2.2 -2,-0.2 2,-0.1 2,-0.2 0.384 119.1 41.6-105.0 7.0 99.5 44.7 36.5 52 73 A T S < S- 0 0 46 -3,-0.7 2,-0.2 -4,-0.2 -31,-0.1 -0.505 102.4 -59.1-133.6-165.3 101.9 43.4 39.2 53 74 A R - 0 0 109 -33,-0.6 -30,-0.1 -2,-0.2 -1,-0.1 -0.580 64.2 -88.8 -85.5 152.6 105.5 42.3 39.4 54 75 A R + 0 0 229 -2,-0.2 2,-0.3 -4,-0.1 -1,-0.1 -0.325 57.4 170.6 -59.2 134.3 106.8 39.4 37.4 55 76 A A - 0 0 25 -9,-0.1 2,-1.2 -3,-0.1 -28,-0.3 -0.983 38.4-130.8-149.3 139.7 106.3 36.2 39.4 56 77 A N E +c 27 0A 84 -30,-3.1 -28,-2.5 -2,-0.3 2,-0.4 -0.754 41.0 173.6 -95.4 89.6 106.7 32.5 38.5 57 78 A I E +c 28 0A 3 -2,-1.2 2,-0.3 -30,-0.2 -28,-0.2 -0.828 6.4 146.6-100.4 136.3 103.3 31.2 39.8 58 79 A Y E -c 29 0A 51 -30,-2.1 -28,-2.3 -2,-0.4 2,-0.7 -0.983 49.8-108.1-166.0 150.2 102.2 27.6 39.3 59 80 A A E +c 30 0A 36 -2,-0.3 -28,-0.2 -30,-0.2 2,-0.1 -0.755 53.8 161.8 -82.9 115.7 100.2 24.8 40.9 60 83 A G - 0 0 20 -30,-1.6 -28,-0.4 -2,-0.7 2,-0.2 -0.327 35.3-110.9-119.7-162.0 102.7 22.1 42.1 61 84 A D > - 0 0 100 -30,-0.1 3,-2.2 -2,-0.1 4,-0.3 -0.744 51.7 -79.7-122.5 177.9 103.2 19.1 44.4 62 85 A Y G > S+ 0 0 49 1,-0.3 3,-1.7 -2,-0.2 4,-0.2 0.772 121.9 67.2 -53.8 -31.8 105.4 18.8 47.5 63 86 A A G > S+ 0 0 46 1,-0.3 3,-1.0 2,-0.1 -1,-0.3 0.763 91.1 66.3 -61.6 -21.8 108.7 18.3 45.6 64 87 A D G < S+ 0 0 50 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.570 76.3 81.3 -76.3 -13.3 108.4 21.9 44.4 65 88 A L G X + 0 0 0 -3,-1.7 3,-2.6 -4,-0.3 -1,-0.2 0.577 63.1 125.6 -68.3 -6.3 108.9 23.4 47.8 66 89 A K T < S+ 0 0 158 -3,-1.0 41,-0.2 1,-0.3 40,-0.1 -0.329 78.6 14.1 -56.2 123.8 112.6 22.9 47.2 67 90 A G T 3 S+ 0 0 54 39,-0.4 -65,-0.3 1,-0.3 -1,-0.3 0.395 88.0 154.8 92.3 -5.3 114.3 26.2 47.7 68 91 A S < - 0 0 7 -3,-2.6 -1,-0.3 1,-0.2 -65,-0.2 -0.353 32.2-164.7 -58.4 130.1 111.3 27.9 49.4 69 92 A D S S+ 0 0 75 -67,-2.6 42,-1.9 1,-0.3 2,-0.3 0.883 80.7 15.9 -83.0 -37.9 112.2 30.8 51.6 70 93 A V E -bd 3 111A 1 -68,-1.6 -66,-2.6 40,-0.2 2,-0.4 -0.982 63.1-165.6-138.1 140.1 108.7 30.8 53.2 71 94 A V E -bd 4 112A 0 40,-2.1 42,-1.9 -2,-0.3 2,-0.5 -0.997 11.1-156.5-126.4 125.5 105.8 28.1 53.2 72 95 A I E -bd 5 113A 0 -68,-2.8 -66,-2.9 -2,-0.4 2,-0.7 -0.910 2.9-153.2-107.0 127.6 102.4 29.2 54.3 73 96 A V E +bd 6 114A 0 40,-2.1 42,-2.4 -2,-0.5 43,-1.1 -0.861 35.4 147.2-106.2 102.1 99.9 26.5 55.7 74 97 A A + 0 0 17 -68,-1.4 -65,-0.4 -2,-0.7 -62,-0.4 -0.040 38.6 127.8-115.6 25.3 96.3 27.5 55.1 75 98 A A + 0 0 13 -69,-0.7 2,-0.3 -67,-0.1 41,-0.1 -0.667 24.7 126.1 -90.9 135.3 95.2 23.9 54.6 76 99 A G - 0 0 45 -2,-0.3 -2,-0.0 19,-0.1 16,-0.0 -0.978 47.2-108.1-174.3 167.3 92.4 22.2 56.5 77 100 A V - 0 0 46 -2,-0.3 2,-0.2 11,-0.2 15,-0.1 -0.775 32.8-114.6-109.0 152.0 89.1 20.2 56.4 78 101 A P - 0 0 107 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.576 38.6 -92.3 -87.4 148.2 85.6 21.4 57.2 79 102 A Q - 0 0 107 -2,-0.2 3,-0.1 1,-0.1 6,-0.1 -0.376 41.4-137.7 -58.7 119.6 83.4 20.1 60.1 80 103 A K - 0 0 105 -2,-0.2 3,-0.2 4,-0.1 2,-0.1 -0.403 37.1 -81.5 -74.1 159.2 81.3 17.1 58.8 81 105 A P S S+ 0 0 130 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.432 120.6 12.9 -64.8 135.1 77.6 17.0 60.0 82 106 A G S S+ 0 0 82 1,-0.3 -3,-0.0 -2,-0.1 -2,-0.0 -0.214 97.7 145.1 88.3 -42.0 77.3 15.6 63.4 83 107 A E - 0 0 20 -2,-0.4 -1,-0.3 -3,-0.2 2,-0.1 0.106 45.3-132.6 -37.3 132.1 81.1 16.0 63.7 84 108 A T > - 0 0 69 -3,-0.1 4,-2.9 1,-0.1 -4,-0.1 -0.417 16.9-120.0 -81.9 155.2 82.5 16.9 67.2 85 109 A R H > S+ 0 0 143 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.872 115.5 52.7 -68.9 -33.5 85.1 19.7 67.6 86 110 A L H > S+ 0 0 52 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.795 112.4 45.2 -68.0 -34.9 87.6 17.3 69.1 87 111 A Q H > S+ 0 0 94 2,-0.2 4,-2.7 3,-0.2 -2,-0.2 0.939 111.0 51.8 -72.3 -51.8 87.1 15.1 66.1 88 112 A L H X S+ 0 0 24 -4,-2.9 4,-2.7 1,-0.3 5,-0.2 0.940 112.7 46.5 -47.7 -51.8 87.3 18.0 63.7 89 113 A L H X S+ 0 0 8 -4,-3.0 4,-2.7 1,-0.3 -1,-0.3 0.832 107.9 57.9 -63.1 -31.1 90.6 18.9 65.5 90 114 A G H X S+ 0 0 2 -4,-1.2 4,-1.6 2,-0.2 -1,-0.3 0.921 109.4 43.8 -65.2 -42.6 91.7 15.3 65.2 91 115 A R H X S+ 0 0 53 -4,-2.7 4,-1.9 -3,-0.2 3,-0.4 0.986 116.2 45.8 -65.2 -51.1 91.3 15.4 61.5 92 116 A N H X S+ 0 0 9 -4,-2.7 4,-2.8 1,-0.3 -2,-0.2 0.828 109.1 55.9 -62.5 -33.8 93.0 18.8 61.1 93 117 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.3 0.902 107.4 49.5 -65.3 -40.3 95.8 17.8 63.4 94 118 A R H X S+ 0 0 123 -4,-1.6 4,-2.1 -3,-0.4 -2,-0.2 0.864 108.5 53.4 -66.0 -34.9 96.4 14.8 61.1 95 119 A V H X S+ 0 0 37 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.975 108.1 51.2 -62.2 -51.4 96.4 17.2 58.1 96 120 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.896 109.8 48.7 -51.8 -46.3 99.1 19.3 59.9 97 121 A K H X S+ 0 0 38 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.910 110.5 51.0 -62.4 -43.5 101.3 16.3 60.5 98 122 A E H >X S+ 0 0 78 -4,-2.1 4,-1.4 1,-0.2 3,-0.6 0.984 111.4 46.0 -57.5 -55.9 101.1 15.1 57.0 99 123 A I H 3X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.844 109.6 60.2 -55.6 -34.5 102.0 18.5 55.5 100 124 A A H 3X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.849 99.6 50.2 -62.7 -47.0 104.9 18.7 58.0 101 125 A R H < + 0 0 4 -4,-2.0 3,-1.7 -5,-0.4 -1,-0.2 -0.374 65.5 151.7-130.4 59.2 112.0 22.5 52.2 108 132AA P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.678 75.0 52.4 -61.2 -20.3 114.0 21.9 55.5 109 132BA D T 3 S+ 0 0 138 -3,-0.1 -5,-0.1 -41,-0.1 -2,-0.0 0.366 87.8 107.3-100.6 5.2 115.5 25.4 55.4 110 133 A S < - 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