==== 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 22-JAN-03 1NQO . 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) . 57350.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 993 74.3 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 . 171 12.8 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 . 135 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 156 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 21.6 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 9 0 0 0 3 4 4 0 0 4 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 9 7 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 89 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 -87.0 -28.8 47.9 98.0 2 1 O V E -a 26 0A 21 23,-2.1 25,-2.1 1,-0.1 2,-0.4 -0.615 360.0-122.9 -83.5 135.6 -27.9 47.3 101.6 3 2 O K E -a 27 0A 89 85,-0.4 87,-2.0 -2,-0.3 88,-1.6 -0.630 31.4-167.4 -80.8 130.3 -27.2 50.2 103.9 4 3 O V E -ab 28 91A 2 23,-3.0 25,-2.1 -2,-0.4 26,-1.0 -0.909 11.4-158.9-122.0 146.6 -23.7 50.2 105.5 5 4 O G E -ab 30 92A 0 86,-2.4 88,-2.8 -2,-0.3 2,-0.5 -0.930 10.9-145.0-120.9 146.1 -22.2 52.2 108.4 6 5 O I E -ab 31 93A 0 24,-2.2 26,-2.7 -2,-0.4 2,-0.8 -0.952 5.5-160.9-116.2 119.0 -18.4 52.7 108.9 7 6 O N E S+ab 32 94A 2 86,-2.8 88,-2.3 -2,-0.5 26,-0.2 -0.858 76.9 22.5-101.0 107.2 -17.1 52.9 112.5 8 7 O G - 0 0 6 24,-3.1 2,-1.1 -2,-0.8 5,-0.2 0.697 70.0-150.3 100.7 93.2 -13.7 54.5 112.4 9 8 O F + 0 0 1 23,-0.4 -1,-0.1 4,-0.2 87,-0.1 -0.395 56.3 115.3 -91.6 56.4 -13.1 56.6 109.3 10 9 O G S > S- 0 0 26 -2,-1.1 4,-3.1 85,-0.4 5,-0.4 0.177 84.9 -43.6-100.6-141.6 -9.4 56.1 109.1 11 10 O R H > S+ 0 0 48 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.933 142.8 28.8 -58.4 -49.0 -7.0 54.5 106.6 12 11 O I H > S+ 0 0 35 83,-0.2 4,-2.9 2,-0.2 5,-0.3 0.913 119.8 56.6 -78.1 -43.1 -9.2 51.4 106.1 13 12 O G H > S+ 0 0 0 82,-0.4 4,-1.4 1,-0.2 -2,-0.2 0.933 113.7 38.5 -52.3 -51.7 -12.5 53.2 106.9 14 13 O R H X S+ 0 0 25 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.808 116.6 50.9 -72.7 -29.6 -11.9 55.9 104.1 15 14 O N H X S+ 0 0 6 -4,-1.2 4,-1.9 -5,-0.4 -1,-0.2 0.818 108.4 52.3 -77.0 -27.3 -10.4 53.4 101.7 16 15 O V H X S+ 0 0 3 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.842 106.5 55.4 -71.8 -32.9 -13.4 51.1 102.2 17 16 O F H X S+ 0 0 4 -4,-1.4 4,-1.2 -5,-0.3 -2,-0.2 0.873 106.3 50.6 -66.2 -37.3 -15.6 54.1 101.4 18 17 O R H < S+ 0 0 51 -4,-1.3 4,-0.5 2,-0.2 3,-0.4 0.941 111.7 46.5 -65.3 -48.0 -13.8 54.6 98.1 19 18 O A H >< S+ 0 0 2 -4,-1.9 3,-1.7 1,-0.2 4,-0.5 0.890 107.0 58.2 -61.7 -41.0 -14.3 50.9 97.2 20 19 O A H >< S+ 0 0 6 -4,-2.5 3,-1.3 1,-0.3 6,-0.3 0.829 93.5 67.6 -58.9 -32.8 -18.0 51.1 98.2 21 20 O L T 3< S+ 0 0 80 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.765 104.1 45.0 -59.6 -23.7 -18.4 54.0 95.7 22 21 O K T < S+ 0 0 133 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.519 97.1 84.9 -97.5 -7.3 -17.8 51.3 93.0 23 22 O N X - 0 0 24 -3,-1.3 3,-1.2 -4,-0.5 -1,-0.1 -0.854 55.4-167.2-103.9 112.7 -20.1 48.7 94.4 24 23 O P T 3 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 1313,-0.1 0.752 85.4 63.1 -64.5 -26.3 -23.8 48.9 93.5 25 24 O D T 3 S+ 0 0 34 1311,-0.3 -23,-2.1 -24,-0.1 2,-0.4 0.633 103.0 50.2 -77.1 -15.1 -24.8 46.4 96.2 26 25 O I E < -a 2 0A 10 -3,-1.2 2,-0.4 -6,-0.3 -23,-0.2 -0.963 59.7-171.4-128.5 146.2 -23.6 48.5 99.1 27 26 O E E -a 3 0A 89 -25,-2.1 -23,-3.0 -2,-0.4 2,-0.6 -0.979 17.9-141.1-137.8 123.0 -24.3 52.1 100.1 28 27 O V E +a 4 0A 12 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.732 28.4 164.3 -84.2 117.8 -22.5 54.0 102.9 29 28 O V E + 0 0 15 -25,-2.1 43,-2.7 -2,-0.6 2,-0.3 0.566 62.0 21.3-109.4 -14.6 -25.0 56.2 104.7 30 29 O A E -ac 5 72A 0 -26,-1.0 -24,-2.2 41,-0.2 2,-0.3 -0.993 53.9-168.3-157.1 148.1 -23.1 57.0 107.9 31 30 O V E -ac 6 73A 0 41,-2.7 43,-3.2 -2,-0.3 2,-0.4 -0.976 10.3-154.3-135.5 147.2 -19.6 57.1 109.4 32 31 O N E +ac 7 74A 5 -26,-2.7 -24,-3.1 -2,-0.3 -23,-0.4 -0.977 28.5 134.2-126.9 137.7 -18.5 57.5 113.0 33 32 O D - 0 0 41 41,-1.9 43,-0.1 -2,-0.4 63,-0.0 -0.672 61.6 -87.8-151.1-153.0 -15.2 58.8 114.3 34 33 O L S S+ 0 0 100 -2,-0.2 2,-0.2 41,-0.1 41,-0.1 -0.016 95.3 54.9-123.0 29.1 -13.9 61.2 116.9 35 34 O T S S- 0 0 47 39,-0.3 -2,-0.2 1,-0.0 2,-0.2 -0.748 86.0 -72.3-145.1-169.8 -14.0 64.5 115.0 36 36 O D >> - 0 0 80 -2,-0.2 4,-2.2 1,-0.1 3,-0.9 -0.580 39.8-111.7 -95.0 157.7 -16.1 66.9 113.0 37 37 O A H 3> S+ 0 0 3 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.820 116.5 61.0 -53.0 -34.4 -17.5 66.5 109.5 38 38 O N H 3> S+ 0 0 104 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.878 107.3 43.3 -62.3 -40.3 -15.2 69.3 108.3 39 39 O T H <> S+ 0 0 53 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.930 114.9 48.4 -72.2 -45.8 -12.1 67.3 109.3 40 40 O L H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.885 110.8 52.1 -62.0 -38.0 -13.4 64.0 107.9 41 41 O A H X S+ 0 0 8 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.922 109.4 49.2 -64.0 -43.7 -14.3 65.8 104.6 42 42 O H H X S+ 0 0 57 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.870 112.8 47.2 -64.1 -37.9 -10.9 67.3 104.3 43 43 O L H < S+ 0 0 62 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.862 110.9 51.2 -72.3 -35.1 -9.2 63.9 105.0 44 44 O L H < S+ 0 0 3 -4,-2.2 9,-0.3 -5,-0.2 -2,-0.2 0.821 113.8 45.8 -70.8 -30.9 -11.5 62.1 102.5 45 45 O K H < S+ 0 0 41 -4,-1.8 8,-2.1 1,-0.2 2,-0.6 0.920 116.3 40.0 -78.6 -47.5 -10.7 64.7 99.8 46 46 O Y E < -G 52 0B 32 -4,-2.0 2,-0.6 6,-0.2 -1,-0.2 -0.907 69.0-177.6-111.6 110.4 -6.9 64.9 100.1 47 47 O D E > -G 51 0B 7 4,-0.6 4,-2.0 -2,-0.6 -3,-0.1 -0.925 22.0-152.7-113.4 118.2 -5.1 61.6 100.7 48 48 O S T 4 S+ 0 0 78 -2,-0.6 -1,-0.1 1,-0.2 4,-0.1 0.741 98.3 34.2 -57.2 -25.6 -1.3 61.6 101.2 49 49 O V T 4 S+ 0 0 20 2,-0.1 -1,-0.2 187,-0.1 188,-0.1 0.859 128.6 28.1 -98.2 -45.5 -1.1 58.1 99.9 50 50 O H T 4 S- 0 0 32 1,-0.3 -2,-0.2 236,-0.0 -1,-0.1 0.314 100.3-122.7-105.3 10.7 -3.8 57.8 97.2 51 51 O G E < -G 47 0B 35 -4,-2.0 -4,-0.6 2,-0.1 -1,-0.3 -0.116 57.1 -23.3 78.4-179.9 -4.1 61.3 95.9 52 52 O R E S-G 46 0B 115 -6,-0.2 -6,-0.2 566,-0.1 -7,-0.1 -0.456 74.8-107.7 -69.2 134.4 -7.2 63.5 95.7 53 53 O L - 0 0 11 -8,-2.1 2,-1.7 -9,-0.3 4,-0.1 -0.393 23.0-130.8 -62.9 131.8 -10.5 61.6 95.7 54 54 O D S S+ 0 0 158 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.609 75.3 76.8 -85.4 79.7 -12.2 61.7 92.3 55 55 O A S S- 0 0 12 -2,-1.7 2,-0.6 -10,-0.1 -2,-0.0 -0.959 90.6 -79.7-175.0 162.4 -15.6 62.7 93.5 56 56 O E + 0 0 120 -2,-0.3 11,-2.1 2,-0.0 2,-0.4 -0.658 50.4 177.3 -78.3 116.1 -17.7 65.6 94.8 57 57 O V E +H 66 0C 18 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.979 13.0 134.1-127.6 125.4 -16.9 66.2 98.5 58 58 O S E -H 65 0C 60 7,-1.9 7,-2.6 -2,-0.4 2,-0.4 -0.896 47.8-100.4-152.3 177.9 -18.3 69.0 100.6 59 59 O V E -H 64 0C 56 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.931 15.6-161.3-115.7 134.7 -19.8 69.6 104.1 60 60 O N E > -H 63 0C 83 3,-3.4 2,-2.3 -2,-0.4 3,-1.4 -0.650 60.3 -81.9-112.0 71.9 -23.5 69.9 104.8 61 61 O G T 3 S+ 0 0 80 -2,-0.6 -23,-0.2 1,-0.3 -24,-0.1 -0.426 119.7 0.4 70.0 -78.4 -23.6 71.6 108.2 62 62 O N T 3 S+ 0 0 115 -2,-2.3 11,-0.5 -25,-0.1 -1,-0.3 0.348 129.1 59.9-122.5 0.4 -23.0 68.5 110.3 63 63 O N E < S-H 60 0C 26 -3,-1.4 -3,-3.4 9,-0.1 2,-0.3 -0.766 78.0-109.5-126.7 171.4 -22.8 65.8 107.6 64 64 O L E -HI 59 71C 0 7,-2.7 7,-3.6 -2,-0.2 2,-0.5 -0.752 20.0-154.1-100.4 148.8 -20.7 65.0 104.5 65 65 O V E +HI 58 70C 21 -7,-2.6 -7,-1.9 -2,-0.3 2,-0.5 -0.971 14.6 178.2-125.7 114.0 -21.9 65.3 101.0 66 66 O V E > S-HI 57 69C 3 3,-2.0 3,-1.5 -2,-0.5 -9,-0.2 -0.965 72.9 -19.7-120.7 117.3 -20.3 63.0 98.4 67 67 O N T 3 S- 0 0 58 -11,-2.1 2,-0.5 -2,-0.5 -1,-0.2 0.933 127.5 -51.9 52.8 50.8 -21.5 63.1 94.8 68 68 O G T 3 S+ 0 0 61 1,-0.2 -1,-0.3 -12,-0.1 1204,-0.1 -0.017 117.0 112.8 80.8 -33.5 -24.8 64.7 95.8 69 69 O K E < -I 66 0C 124 -3,-1.5 -3,-2.0 -2,-0.5 2,-0.5 -0.379 64.3-130.8 -72.6 150.9 -25.4 62.0 98.4 70 70 O E E -I 65 0C 99 -5,-0.2 2,-0.6 -3,-0.1 -5,-0.3 -0.911 14.9-160.2-109.5 125.1 -25.4 62.9 102.1 71 71 O I E -I 64 0C 8 -7,-3.6 -7,-2.7 -2,-0.5 2,-0.3 -0.904 20.2-127.8-105.5 121.9 -23.4 60.8 104.6 72 72 O I E -c 30 0A 56 -43,-2.7 -41,-2.7 -2,-0.6 2,-0.6 -0.515 20.7-148.6 -70.2 125.4 -24.3 61.1 108.3 73 73 O V E -c 31 0A 12 -11,-0.5 2,-0.3 -2,-0.3 -41,-0.2 -0.866 16.1-173.3-101.2 118.3 -21.3 61.9 110.5 74 74 O K E -c 32 0A 41 -43,-3.2 -41,-1.9 -2,-0.6 -39,-0.3 -0.730 18.2-165.1-107.1 158.8 -21.3 60.6 114.0 75 75 O A + 0 0 62 -2,-0.3 2,-0.6 -43,-0.2 -41,-0.1 -0.464 35.0 142.7-140.6 61.9 -18.9 61.2 116.8 76 76 O E - 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