==== 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 21-JAN-03 1NQ5 . COMPND 2 MOLECULE: GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR C.DIDIERJEAN,C.CORBIER,M.FATIH,F.FAVIER,S.BOSCHI-MULLER,G.BR . 1336 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57348.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 990 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 190 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 172 12.9 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 . 8 0.6 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 . 1 0.1 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 . 130 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 157 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.6 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 7 0 0 0 3 5 4 0 1 3 0 1 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 4 8 12 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 PARALLEL BRIDGES PER LADDER . 0 8 8 8 0 0 0 8 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 . 4 3 0 0 0 3 3 2 0 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 0 O A 0 0 90 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 -98.9 -29.0 47.9 98.7 2 1 O V E -a 26 0A 26 23,-1.8 25,-1.9 1,-0.1 2,-0.4 -0.608 360.0-126.1 -79.6 131.6 -27.9 47.1 102.3 3 2 O K E -a 27 0A 88 85,-0.4 87,-2.4 -2,-0.3 88,-1.8 -0.623 28.2-165.5 -82.2 132.5 -27.1 50.1 104.4 4 3 O V E -ab 28 91A 2 23,-3.1 25,-1.8 -2,-0.4 26,-1.0 -0.835 10.6-157.6-119.7 154.3 -23.7 50.1 106.1 5 4 O G E -ab 30 92A 0 86,-2.3 88,-3.0 -2,-0.3 2,-0.6 -0.972 10.3-145.2-128.9 143.5 -22.1 52.1 108.9 6 5 O I E -ab 31 93A 0 24,-2.0 26,-2.6 -2,-0.4 2,-0.9 -0.938 5.6-163.0-113.7 117.6 -18.4 52.6 109.5 7 6 O N E S+ab 32 94A 3 86,-2.9 88,-2.4 -2,-0.6 26,-0.2 -0.851 78.1 24.9-100.2 103.9 -17.1 52.8 113.1 8 7 O G - 0 0 5 24,-2.9 2,-1.0 -2,-0.9 -1,-0.2 0.646 69.5-152.5 105.6 93.7 -13.7 54.4 112.9 9 8 O F + 0 0 0 23,-0.4 -1,-0.1 4,-0.2 87,-0.1 -0.382 55.3 116.0 -93.7 54.8 -13.2 56.5 109.8 10 9 O G S > S- 0 0 24 -2,-1.0 4,-3.4 85,-0.4 5,-0.4 0.180 85.5 -44.9 -99.2-143.8 -9.4 56.1 109.6 11 10 O R H > S+ 0 0 48 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.927 144.3 28.7 -57.3 -47.2 -7.1 54.5 107.1 12 11 O I H > S+ 0 0 35 83,-0.2 4,-3.0 2,-0.2 5,-0.3 0.912 120.1 56.5 -80.0 -42.3 -9.3 51.4 106.7 13 12 O G H > S+ 0 0 0 82,-0.4 4,-1.6 1,-0.2 -2,-0.2 0.941 113.8 38.2 -51.9 -55.0 -12.5 53.3 107.5 14 13 O R H X S+ 0 0 28 -4,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.801 116.7 51.5 -69.4 -30.3 -12.0 55.8 104.7 15 14 O N H X S+ 0 0 7 -4,-1.1 4,-1.8 -5,-0.4 -1,-0.2 0.841 107.5 53.3 -75.5 -29.7 -10.5 53.3 102.3 16 15 O V H X S+ 0 0 3 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.871 107.8 52.6 -68.2 -36.0 -13.6 51.0 102.9 17 16 O F H X S+ 0 0 4 -4,-1.6 4,-1.1 -5,-0.3 -2,-0.2 0.896 106.0 52.5 -65.7 -42.0 -15.7 54.1 102.0 18 17 O R H < S+ 0 0 48 -4,-1.7 4,-0.4 1,-0.2 3,-0.4 0.913 111.7 45.9 -60.6 -44.0 -13.9 54.6 98.7 19 18 O A H >X S+ 0 0 3 -4,-1.8 3,-1.5 1,-0.2 4,-0.6 0.866 104.8 60.8 -67.4 -38.2 -14.4 51.0 97.7 20 19 O A H >< S+ 0 0 8 -4,-2.0 3,-0.8 1,-0.3 6,-0.3 0.786 92.3 68.2 -60.3 -27.5 -18.1 51.1 98.7 21 20 O L T 3< S+ 0 0 86 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.817 103.2 44.6 -61.9 -28.9 -18.6 53.8 96.1 22 21 O K T <4 S+ 0 0 137 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.549 97.6 83.1 -92.0 -9.6 -18.0 51.2 93.4 23 22 O N X< - 0 0 23 -3,-0.8 3,-1.3 -4,-0.6 -1,-0.1 -0.846 56.7-168.7-103.0 108.8 -20.1 48.5 94.9 24 23 O P T 3 S+ 0 0 39 0, 0.0 -1,-0.1 0, 0.0 1313,-0.1 0.719 82.7 65.8 -64.0 -24.7 -23.9 48.9 94.0 25 24 O D T 3 S+ 0 0 39 1311,-0.3 -23,-1.8 -24,-0.1 2,-0.3 0.629 103.3 48.7 -76.2 -13.5 -24.9 46.3 96.5 26 25 O I E < -a 2 0A 10 -3,-1.3 2,-0.4 -6,-0.3 -23,-0.2 -0.947 61.0-168.6-129.5 151.9 -23.8 48.4 99.5 27 26 O E E -a 3 0A 70 -25,-1.9 -23,-3.1 -2,-0.3 2,-0.7 -0.990 16.8-141.4-139.8 128.9 -24.4 52.0 100.6 28 27 O V E +a 4 0A 12 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.795 28.3 163.8 -91.2 113.3 -22.6 53.9 103.4 29 28 O V E + 0 0 22 -25,-1.8 43,-2.6 -2,-0.7 2,-0.3 0.612 62.4 20.0-104.4 -14.8 -25.1 56.1 105.1 30 29 O A E -ac 5 72A 0 -26,-1.0 -24,-2.0 41,-0.2 2,-0.3 -0.992 53.4-169.8-157.6 147.4 -23.2 56.9 108.3 31 30 O V E -ac 6 73A 0 41,-2.4 43,-2.5 -2,-0.3 2,-0.4 -0.943 11.3-153.0-133.2 154.0 -19.7 57.0 109.8 32 31 O N E +ac 7 74A 4 -26,-2.6 -24,-2.9 -2,-0.3 -23,-0.4 -0.994 28.4 133.9-133.5 136.2 -18.5 57.5 113.4 33 32 O D - 0 0 44 41,-1.8 43,-0.1 -2,-0.4 63,-0.0 -0.683 61.6 -85.0-152.0-154.0 -15.2 58.8 114.8 34 33 O L S S+ 0 0 98 -2,-0.2 2,-0.2 41,-0.1 41,-0.1 0.010 94.7 54.3-119.6 28.7 -13.9 61.3 117.4 35 34 O T S S- 0 0 46 39,-0.3 -2,-0.2 1,-0.0 2,-0.2 -0.754 85.0 -70.7-144.6-169.9 -14.1 64.6 115.5 36 36 O D >> - 0 0 84 -2,-0.2 4,-1.9 1,-0.1 3,-1.4 -0.565 42.1-108.6 -93.6 156.8 -16.3 67.0 113.5 37 37 O A H 3> S+ 0 0 4 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.785 117.8 58.7 -49.7 -33.5 -17.7 66.6 110.0 38 38 O N H 3> S+ 0 0 110 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.832 106.3 47.1 -68.5 -33.9 -15.2 69.3 108.7 39 39 O T H <> S+ 0 0 50 -3,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.948 114.3 45.8 -72.3 -49.1 -12.2 67.3 109.9 40 40 O L H X S+ 0 0 1 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.891 112.0 52.0 -61.0 -40.2 -13.5 64.0 108.4 41 41 O A H X S+ 0 0 7 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.913 110.3 48.9 -63.3 -41.6 -14.4 65.8 105.1 42 42 O H H X S+ 0 0 57 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.866 113.2 46.9 -65.6 -37.3 -10.9 67.3 104.9 43 43 O L H < S+ 0 0 61 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.895 110.6 52.9 -71.4 -38.9 -9.4 63.9 105.5 44 44 O L H < S+ 0 0 3 -4,-2.8 9,-0.3 -5,-0.2 -2,-0.2 0.861 113.7 42.8 -64.2 -35.8 -11.6 62.2 103.0 45 45 O K H < S+ 0 0 44 -4,-1.9 8,-1.4 1,-0.2 2,-0.6 0.858 115.9 44.2 -81.2 -38.1 -10.7 64.7 100.2 46 46 O Y E < +G 52 0B 24 -4,-1.9 2,-0.5 6,-0.2 -1,-0.2 -0.897 66.2 177.8-116.9 108.4 -6.9 64.9 100.7 47 47 O D E > -G 51 0B 7 4,-0.6 4,-1.8 -2,-0.6 -3,-0.1 -0.928 23.7-153.4-113.3 119.8 -5.1 61.6 101.3 48 48 O S T 4 S+ 0 0 73 -2,-0.5 -1,-0.1 1,-0.2 4,-0.1 0.723 98.5 34.5 -60.2 -22.7 -1.3 61.7 101.7 49 49 O V T 4 S+ 0 0 23 2,-0.1 -1,-0.2 187,-0.1 188,-0.1 0.857 129.0 27.4 -99.4 -46.8 -1.1 58.1 100.4 50 50 O H T 4 S- 0 0 32 1,-0.3 -2,-0.2 236,-0.0 -1,-0.0 0.305 98.6-130.7-104.1 9.8 -3.9 57.8 97.8 51 51 O G E < -G 47 0B 33 -4,-1.8 -4,-0.6 2,-0.1 -1,-0.3 -0.117 55.9 -13.4 73.6-173.5 -4.2 61.3 96.5 52 52 O R E S-G 46 0B 130 -6,-0.2 -6,-0.2 566,-0.1 2,-0.2 -0.438 73.3-114.5 -66.3 129.8 -7.3 63.5 96.0 53 53 O L - 0 0 14 -8,-1.4 2,-2.0 -9,-0.3 -1,-0.1 -0.461 24.0-128.9 -65.0 129.4 -10.6 61.5 96.2 54 54 O D S S+ 0 0 160 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 -0.509 75.3 76.5 -82.3 74.1 -12.2 61.6 92.8 55 55 O A S S- 0 0 15 -2,-2.0 2,-0.5 -10,-0.1 -2,-0.1 -0.980 88.8 -81.5-170.6 163.6 -15.6 62.8 94.0 56 56 O E + 0 0 132 -2,-0.3 11,-2.4 2,-0.0 2,-0.4 -0.647 48.3 179.1 -78.1 123.5 -17.7 65.7 95.3 57 57 O V E +H 66 0C 33 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.983 13.4 135.9-132.9 124.1 -17.1 66.2 99.0 58 58 O S E -H 65 0C 63 7,-1.8 7,-2.2 -2,-0.4 2,-0.5 -0.869 46.4-102.1-149.6-178.7 -18.6 68.9 101.2 59 59 O V E -H 64 0C 56 -2,-0.3 2,-0.9 5,-0.2 5,-0.2 -0.965 16.2-160.6-121.3 128.8 -20.2 69.4 104.6 60 60 O N E > -H 63 0C 81 3,-3.2 3,-2.1 -2,-0.5 2,-1.9 -0.789 62.8 -74.0-107.1 87.5 -23.9 69.8 105.3 61 61 O G T 3 S- 0 0 77 -2,-0.9 -24,-0.1 1,-0.3 -2,-0.0 -0.393 122.4 -4.3 64.5 -84.9 -24.2 71.4 108.7 62 62 O N T 3 S+ 0 0 109 -2,-1.9 11,-0.5 -25,-0.1 -1,-0.3 0.274 128.4 66.7-121.7 6.4 -23.2 68.4 110.8 63 63 O N E < S-H 60 0C 30 -3,-2.1 -3,-3.2 9,-0.1 2,-0.3 -0.784 76.3-110.2-127.9 170.2 -22.9 65.8 108.0 64 64 O L E -HI 59 71C 0 7,-3.0 7,-3.8 -2,-0.3 2,-0.4 -0.701 19.5-158.9 -96.8 150.0 -20.9 64.9 105.0 65 65 O V E -HI 58 70C 19 -7,-2.2 -7,-1.8 -2,-0.3 2,-0.6 -0.952 11.3-178.0-131.7 109.6 -22.2 65.1 101.4 66 66 O V E > S-HI 57 69C 4 3,-2.1 3,-0.8 -2,-0.4 -9,-0.2 -0.951 73.7 -21.6-113.6 118.9 -20.3 62.9 98.9 67 67 O N T 3 S- 0 0 79 -11,-2.4 2,-1.8 -2,-0.6 -1,-0.2 0.943 127.3 -52.6 47.4 54.7 -21.4 63.2 95.3 68 68 O G T 3 S+ 0 0 62 1,-0.2 -1,-0.3 -3,-0.2 1204,-0.1 -0.326 115.3 113.7 82.8 -56.6 -24.8 64.5 96.5 69 69 O K E < -I 66 0C 129 -2,-1.8 -3,-2.1 -3,-0.8 2,-0.5 -0.127 65.2-131.6 -48.8 141.7 -25.5 61.6 98.9 70 70 O E E -I 65 0C 99 -5,-0.3 2,-0.5 -3,-0.1 -5,-0.3 -0.891 15.8-158.6-106.1 124.7 -25.5 62.8 102.5 71 71 O I E -I 64 0C 6 -7,-3.8 -7,-3.0 -2,-0.5 2,-0.3 -0.893 16.3-131.6-104.6 121.8 -23.4 60.8 105.1 72 72 O I E -c 30 0A 60 -43,-2.6 -41,-2.4 -2,-0.5 2,-0.5 -0.551 19.2-148.6 -73.8 129.5 -24.4 61.2 108.8 73 73 O V E -c 31 0A 11 -11,-0.5 2,-0.3 -2,-0.3 -41,-0.2 -0.881 16.0-175.7-104.3 123.3 -21.4 61.9 111.0 74 74 O K E -c 32 0A 43 -43,-2.5 -41,-1.8 -2,-0.5 -39,-0.3 -0.731 17.8-164.0-111.2 163.9 -21.4 60.6 114.6 75 75 O A + 0 0 57 -2,-0.3 2,-0.6 -43,-0.2 -41,-0.1 -0.409 34.3 143.9-145.6 60.0 -18.9 61.1 117.4 76 76 O E - 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