==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-JAN-03 1NQA . 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, . 1336 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1000 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 188 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 170 12.7 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 . 7 0.5 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 . 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 . 133 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 11.8 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 2 2 0 4 0 0 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 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 7 7 9 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 . 3 1 0 0 0 1 4 3 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 78 0, 0.0 25,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -90.0 -6.6 99.0 99.4 2 1 O V E -a 26 0A 14 23,-2.1 25,-2.5 1,-0.1 2,-0.6 -0.440 360.0-119.5 -70.9 139.4 -4.3 96.9 97.3 3 2 O K E -a 27 0A 68 85,-0.3 87,-1.8 23,-0.2 88,-1.7 -0.717 33.7-167.5 -86.1 117.8 -4.9 97.0 93.6 4 3 O V E -ab 28 91A 3 23,-3.1 25,-2.2 -2,-0.6 26,-0.9 -0.794 10.8-160.1-108.9 146.7 -5.7 93.6 92.1 5 4 O G E -ab 30 92A 0 86,-2.8 88,-3.6 -2,-0.3 2,-0.5 -0.963 8.3-149.9-123.2 140.8 -5.8 92.3 88.6 6 5 O I E -ab 31 93A 0 24,-2.4 26,-2.7 -2,-0.4 2,-0.7 -0.942 5.5-165.8-116.9 116.8 -7.6 89.2 87.4 7 6 O N E S+ab 32 94A 1 86,-2.8 88,-2.6 -2,-0.5 26,-0.2 -0.870 75.7 25.2-101.8 110.8 -6.4 87.2 84.4 8 7 O G S S- 0 0 7 24,-3.0 2,-1.4 -2,-0.7 5,-0.3 0.766 70.1-153.3 99.4 83.0 -9.0 84.7 83.2 9 8 O F + 0 0 0 23,-0.8 -1,-0.1 4,-0.2 87,-0.1 -0.283 53.3 121.2 -84.2 50.9 -12.4 86.0 84.3 10 9 O G S > S- 0 0 14 -2,-1.4 4,-2.9 85,-0.4 5,-0.4 0.299 83.3 -47.0 -90.3-142.7 -14.0 82.6 84.4 11 10 O R H > S+ 0 0 20 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.925 143.1 31.0 -60.9 -45.7 -15.7 80.6 87.1 12 11 O I H > S+ 0 0 34 83,-0.2 4,-1.9 2,-0.2 5,-0.2 0.892 118.9 55.5 -80.0 -40.0 -13.0 81.4 89.7 13 12 O G H > S+ 0 0 0 82,-0.4 4,-1.4 -5,-0.3 -2,-0.2 0.923 113.2 40.3 -57.3 -47.1 -12.1 84.7 88.2 14 13 O R H X S+ 0 0 4 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.873 115.7 50.0 -72.1 -37.3 -15.7 86.1 88.4 15 14 O N H X S+ 0 0 7 -4,-1.3 4,-1.8 -5,-0.4 -1,-0.2 0.744 107.8 54.2 -73.4 -21.9 -16.4 84.5 91.8 16 15 O V H X S+ 0 0 4 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.857 106.9 52.8 -74.9 -35.2 -13.1 86.0 93.1 17 16 O F H X S+ 0 0 6 -4,-1.4 4,-1.7 -5,-0.2 -2,-0.2 0.914 107.8 50.0 -64.5 -42.6 -14.5 89.3 91.9 18 17 O R H < S+ 0 0 45 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.916 112.6 46.9 -61.2 -43.6 -17.7 88.8 93.9 19 18 O A H >< S+ 0 0 5 -4,-1.8 3,-1.4 1,-0.2 4,-0.3 0.905 109.0 54.7 -64.7 -41.8 -15.7 88.0 97.0 20 19 O A H >< S+ 0 0 7 -4,-2.8 3,-1.5 1,-0.3 6,-0.3 0.815 96.3 66.9 -61.7 -31.7 -13.5 91.0 96.4 21 20 O L T 3< S+ 0 0 78 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.722 102.6 47.0 -62.5 -22.0 -16.6 93.2 96.3 22 21 O K T < S+ 0 0 178 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.455 100.5 79.0 -98.7 -2.4 -17.2 92.4 100.0 23 22 O N X - 0 0 33 -3,-1.5 3,-0.8 -4,-0.3 -1,-0.1 -0.928 56.8-168.4-112.1 117.9 -13.5 93.1 100.9 24 23 O P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.794 86.1 62.8 -71.8 -29.6 -12.4 96.8 101.4 25 24 O D T 3 S+ 0 0 92 -24,-0.1 -23,-2.1 -22,-0.0 2,-0.4 0.601 98.9 67.3 -72.8 -9.4 -8.7 95.9 101.5 26 25 O I E < -a 2 0A 12 -3,-0.8 2,-0.4 -6,-0.3 -23,-0.2 -0.936 59.2-176.4-117.7 135.3 -8.9 94.5 98.0 27 26 O E E -a 3 0A 86 -25,-2.5 -23,-3.1 -2,-0.4 2,-0.6 -0.904 11.7-157.4-134.3 106.4 -9.6 96.6 94.8 28 27 O V E +a 4 0A 19 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.715 20.5 166.2 -81.9 119.5 -9.9 94.9 91.4 29 28 O V E + 0 0 19 -25,-2.2 43,-2.8 -2,-0.6 2,-0.3 0.576 61.3 22.1-109.9 -14.2 -9.1 97.5 88.7 30 29 O A E -ac 5 72A 0 -26,-0.9 -24,-2.4 41,-0.2 2,-0.3 -0.994 53.9-170.4-155.8 147.8 -8.7 95.3 85.7 31 30 O V E -ac 6 73A 0 41,-2.5 43,-2.8 -2,-0.3 2,-0.4 -0.955 11.5-153.9-134.5 151.1 -9.6 91.8 84.3 32 31 O N E +ac 7 74A 5 -26,-2.7 -24,-3.0 -2,-0.3 -23,-0.8 -0.970 27.5 133.1-129.7 145.3 -8.4 90.0 81.3 33 32 O D - 0 0 24 41,-1.7 63,-0.0 -2,-0.4 -23,-0.0 -0.802 60.8 -87.4-160.6-157.7 -10.0 87.3 79.1 34 33 O L S S+ 0 0 99 -2,-0.2 2,-0.2 41,-0.1 41,-0.1 -0.055 95.8 56.2-121.3 31.8 -10.6 86.4 75.5 35 34 O T S S- 0 0 33 39,-0.3 -2,-0.2 1,-0.1 2,-0.1 -0.720 85.7 -76.6-143.4-168.6 -13.9 88.3 74.8 36 36 O D > - 0 0 71 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.461 38.8-106.5 -96.8 172.5 -15.4 91.7 75.0 37 37 O A H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.841 116.5 59.6 -63.9 -36.3 -16.7 93.9 77.9 38 38 O N H > S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.934 107.8 45.4 -58.8 -46.8 -20.3 93.3 76.9 39 39 O T H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.920 113.5 47.3 -64.8 -46.3 -19.9 89.5 77.3 40 40 O L H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.866 111.9 51.8 -64.5 -35.9 -18.0 89.6 80.6 41 41 O A H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.925 110.8 47.5 -65.1 -45.4 -20.6 92.1 82.0 42 42 O H H X S+ 0 0 11 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.931 114.1 47.0 -61.0 -47.0 -23.4 89.8 81.1 43 43 O L H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.837 111.7 51.1 -65.0 -34.0 -21.7 86.8 82.6 44 44 O L H < S+ 0 0 2 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.895 113.7 44.7 -71.0 -38.7 -20.9 88.7 85.8 45 45 O K H < S+ 0 0 21 -4,-2.3 8,-2.3 1,-0.2 2,-0.6 0.916 116.3 42.8 -71.9 -46.9 -24.5 89.8 86.2 46 46 O Y < + 0 0 32 -4,-2.5 2,-0.5 6,-0.2 -1,-0.2 -0.903 67.1 179.6-110.8 113.2 -26.3 86.5 85.5 47 47 O D > - 0 0 4 -2,-0.6 4,-1.5 4,-0.4 -3,-0.1 -0.945 24.2-151.5-115.4 121.4 -24.8 83.4 87.0 48 48 O S T 4 S+ 0 0 8 -2,-0.5 -1,-0.1 1,-0.2 4,-0.1 0.700 99.6 33.5 -61.5 -19.6 -26.5 80.0 86.4 49 49 O V T 4 S+ 0 0 14 2,-0.1 -1,-0.2 187,-0.1 188,-0.1 0.836 128.6 28.3-103.7 -46.3 -25.1 78.8 89.8 50 50 O H T 4 S- 0 0 32 1,-0.2 -2,-0.2 236,-0.0 -1,-0.0 0.225 99.4-133.1-105.6 14.9 -25.0 81.8 92.2 51 51 O G < - 0 0 33 -4,-1.5 -4,-0.4 2,-0.1 -1,-0.2 0.034 53.8 -10.1 66.6-174.6 -27.9 83.9 90.8 52 52 O R S S- 0 0 115 -6,-0.2 2,-0.4 901,-0.1 -6,-0.2 -0.286 75.7-110.7 -58.4 134.0 -28.1 87.6 89.9 53 53 O L - 0 0 10 -8,-2.3 2,-2.5 1,-0.1 -1,-0.1 -0.545 24.6-129.2 -69.9 124.6 -25.2 89.6 91.2 54 54 O D S S+ 0 0 164 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 -0.413 79.5 67.0 -76.4 69.8 -26.4 91.9 94.0 55 55 O A S S- 0 0 16 -2,-2.5 2,-0.5 -10,-0.1 -2,-0.1 -0.965 92.1 -82.1-172.9 167.4 -25.0 95.1 92.5 56 56 O E - 0 0 140 -2,-0.3 11,-2.0 2,-0.0 2,-0.4 -0.737 46.1-177.2 -86.7 125.8 -25.3 97.5 89.6 57 57 O V E +D 66 0A 15 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.989 14.2 139.9-129.0 131.9 -23.5 96.2 86.5 58 58 O S E -D 65 0A 59 7,-1.7 7,-2.5 -2,-0.4 2,-0.4 -0.904 39.9-109.6-153.9 178.8 -23.1 98.0 83.1 59 59 O V E +D 64 0A 49 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.925 20.9 178.1-123.8 147.6 -20.6 98.7 80.4 60 60 O N E > -D 63 0A 91 3,-2.3 3,-0.8 -2,-0.4 2,-0.3 -0.796 67.8 -51.5-148.0 98.3 -18.7 101.9 79.3 61 61 O G T 3 S- 0 0 61 -2,-0.3 -24,-0.1 1,-0.2 -1,-0.1 -0.571 121.1 -21.3 71.7-128.4 -16.3 101.5 76.4 62 62 O N T 3 S+ 0 0 115 -2,-0.3 11,-2.2 -3,-0.1 2,-0.3 -0.104 122.2 94.1-103.6 34.2 -14.0 98.6 77.2 63 63 O N E < -DE 60 72A 36 -3,-0.8 -3,-2.3 9,-0.2 2,-0.2 -0.950 68.7-132.7-128.8 148.1 -14.7 98.8 80.9 64 64 O L E -DE 59 71A 0 7,-3.1 7,-2.7 -2,-0.3 2,-0.4 -0.639 18.8-151.2 -90.0 153.4 -17.1 97.1 83.3 65 65 O V E +DE 58 70A 21 -7,-2.5 -7,-1.7 -2,-0.2 2,-0.5 -0.909 18.8 173.6-132.6 104.8 -19.0 99.4 85.7 66 66 O V E > S-DE 57 69A 2 3,-1.9 3,-1.5 -2,-0.4 -9,-0.2 -0.950 72.5 -20.7-114.4 129.4 -20.0 97.9 89.0 67 67 O N T 3 S- 0 0 86 -11,-2.0 2,-0.5 -2,-0.5 -1,-0.2 0.838 126.5 -54.5 41.0 43.7 -21.6 100.1 91.7 68 68 O G T 3 S+ 0 0 57 1,-0.3 -1,-0.3 -12,-0.2 -11,-0.0 -0.162 114.6 114.1 89.4 -42.2 -20.1 103.1 90.0 69 69 O K E < - 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