==== 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(ALDEHYDE(D)-NAD(A)) 22-JUN-87 1GD1 . COMPND 2 MOLECULE: HOLO-D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR T.SKARZYNSKI,P.C.E.MOODY,A.J.WONACOTT . 1336 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45159.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 989 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 194 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 173 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 . 3 0.2 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 . 129 9.7 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 . 279 20.9 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 0 4 3 1 0 4 0 0 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 11 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 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 . 4 3 0 0 0 3 1 4 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 97 0, 0.0 2,-0.4 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 -64.2 10.5 -34.8 22.8 2 1 O V E -a 26 0A 28 23,-1.9 25,-1.7 1,-0.1 2,-0.3 -0.609 360.0-129.8 -75.7 127.1 11.8 -31.6 24.5 3 2 O K E -a 27 0A 81 85,-0.4 87,-1.9 -2,-0.4 88,-1.9 -0.588 26.2-166.1 -83.2 135.0 8.9 -29.6 25.7 4 3 O V E -ab 28 91A 2 23,-2.7 25,-2.8 -2,-0.3 26,-1.1 -0.936 11.5-163.0-123.7 144.8 8.8 -25.9 24.7 5 4 O G E -ab 30 92A 0 86,-2.6 88,-2.9 -2,-0.4 2,-0.5 -0.937 12.2-146.2-122.2 146.6 6.9 -23.0 25.9 6 5 O I E -ab 31 93A 0 24,-1.9 26,-2.3 -2,-0.4 2,-0.7 -0.960 2.7-157.2-116.0 124.5 6.6 -19.7 23.9 7 6 O N E S+ab 32 94A 2 86,-3.7 88,-2.6 -2,-0.5 26,-0.2 -0.922 78.0 23.4-101.2 110.7 6.3 -16.4 25.7 8 7 O G - 0 0 4 24,-3.2 2,-1.1 -2,-0.7 5,-0.3 0.768 68.5-151.2 99.4 95.6 4.6 -13.9 23.4 9 8 O F + 0 0 1 23,-0.4 -1,-0.1 4,-0.2 87,-0.1 -0.445 56.0 117.8 -93.4 52.2 2.4 -15.5 20.7 10 9 O G S > S- 0 0 16 -2,-1.1 4,-2.5 85,-0.4 5,-0.3 0.198 86.0 -46.8 -95.8-145.8 2.9 -12.7 18.1 11 10 O R H > S+ 0 0 20 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.955 142.5 34.5 -59.3 -49.4 4.5 -12.7 14.6 12 11 O I H > S+ 0 0 35 83,-0.2 4,-3.2 2,-0.2 5,-0.3 0.924 117.5 51.6 -72.3 -47.4 7.5 -14.6 15.8 13 12 O G H > S+ 0 0 0 82,-0.4 4,-2.1 -5,-0.3 -2,-0.2 0.924 114.3 43.8 -57.6 -40.2 5.8 -16.8 18.4 14 13 O R H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.914 114.7 49.1 -72.9 -34.4 3.1 -18.0 15.9 15 14 O N H X S+ 0 0 7 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.861 110.8 51.1 -70.4 -39.2 5.7 -18.5 13.2 16 15 O V H X S+ 0 0 2 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.938 108.9 51.8 -64.1 -40.5 7.9 -20.5 15.6 17 16 O F H X S+ 0 0 4 -4,-2.1 4,-1.3 -5,-0.3 -2,-0.2 0.955 109.6 48.9 -59.4 -50.2 4.8 -22.5 16.4 18 17 O R H < S+ 0 0 49 -4,-2.4 3,-0.5 1,-0.2 4,-0.4 0.915 112.9 47.8 -58.0 -44.2 4.2 -23.3 12.7 19 18 O A H >< S+ 0 0 3 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.890 106.6 56.9 -65.6 -36.6 7.9 -24.3 12.2 20 19 O A H >< S+ 0 0 8 -4,-2.5 3,-1.8 1,-0.3 6,-0.3 0.749 90.8 72.1 -69.1 -22.8 7.8 -26.5 15.3 21 20 O L T 3< S+ 0 0 85 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.736 102.5 44.1 -60.6 -22.7 4.9 -28.5 13.8 22 21 O K T < S+ 0 0 157 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.268 93.3 99.5-103.4 3.7 7.5 -30.0 11.3 23 22 O N < - 0 0 33 -3,-1.8 3,-0.2 1,-0.2 -3,-0.0 -0.814 54.3-162.4-101.2 130.8 10.2 -30.6 13.9 24 23 O P S S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.938 85.9 52.5 -69.5 -42.8 10.6 -34.1 15.2 25 24 O D S S+ 0 0 86 -24,-0.1 -23,-1.9 2,-0.0 2,-0.3 0.422 104.1 45.5 -75.0 -23.1 12.7 -33.1 18.2 26 25 O I E -a 2 0A 8 -6,-0.3 2,-0.3 -3,-0.2 -23,-0.2 -0.838 56.8-163.3-128.0 162.7 10.7 -30.4 20.0 27 26 O E E -a 3 0A 80 -25,-1.7 -23,-2.7 -2,-0.3 2,-0.5 -0.939 17.9-136.5-148.9 121.4 7.0 -30.0 20.9 28 27 O V E +a 4 0A 12 -2,-0.3 -23,-0.2 -25,-0.2 3,-0.1 -0.752 29.4 167.5 -83.3 122.2 5.3 -26.8 21.9 29 28 O V E + 0 0 21 -25,-2.8 43,-2.7 -2,-0.5 2,-0.3 0.572 59.1 17.5-111.0 -15.9 3.1 -27.5 25.0 30 29 O A E -ac 5 72A 0 -26,-1.1 -24,-1.9 41,-0.3 -1,-0.3 -0.980 54.8-163.9-158.2 149.5 2.1 -24.0 26.2 31 30 O V E -ac 6 73A 0 41,-2.6 43,-2.7 -2,-0.3 2,-0.4 -0.959 7.7-153.9-129.8 156.8 2.0 -20.4 25.1 32 31 O N E +ac 7 74A 5 -26,-2.3 -24,-3.2 -2,-0.3 -23,-0.4 -0.991 28.2 137.8-133.1 137.2 1.7 -17.2 27.0 33 32 O D - 0 0 24 41,-1.7 43,-0.1 -2,-0.4 63,-0.0 -0.679 60.5 -94.9-150.1-160.7 0.3 -13.9 25.7 34 33 O L S S+ 0 0 97 -2,-0.2 2,-0.3 41,-0.1 41,-0.1 -0.236 94.4 63.5-115.2 31.9 -2.0 -11.1 27.0 35 34 O T S S- 0 0 26 39,-0.4 -2,-0.2 1160,-0.0 2,-0.2 -0.811 84.7 -78.2-148.4-172.8 -5.3 -12.4 25.5 36 36 O D > - 0 0 71 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.441 38.1-112.2 -93.5 164.5 -7.8 -15.3 25.6 37 37 O A H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.781 116.3 59.1 -63.1 -33.2 -7.5 -18.6 23.9 38 38 O N H > S+ 0 0 98 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.892 107.9 44.7 -64.2 -48.8 -10.3 -17.7 21.5 39 39 O T H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.924 115.1 48.3 -63.3 -48.1 -8.3 -14.7 20.2 40 40 O L H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.865 109.6 51.8 -59.4 -41.9 -5.1 -16.7 19.9 41 41 O A H X S+ 0 0 2 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.882 111.2 49.3 -63.2 -39.6 -6.9 -19.6 18.1 42 42 O H H X S+ 0 0 5 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.935 112.6 46.1 -65.5 -46.8 -8.3 -17.0 15.6 43 43 O L H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.767 112.6 50.5 -65.2 -34.2 -4.9 -15.4 15.0 44 44 O L H < S+ 0 0 3 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.853 113.0 46.7 -72.5 -39.8 -3.2 -18.8 14.6 45 45 O K H < S+ 0 0 42 -4,-1.8 8,-2.6 1,-0.2 2,-0.6 0.877 115.6 40.9 -66.3 -51.4 -5.8 -20.0 12.1 46 46 O Y E < -G 52 0B 19 -4,-2.2 2,-0.5 6,-0.2 -1,-0.2 -0.959 67.3-176.8-115.5 110.6 -5.9 -17.0 9.8 47 47 O D E > -G 51 0B 5 4,-0.9 4,-2.0 -2,-0.6 -3,-0.1 -0.966 21.7-154.0-119.8 122.9 -2.7 -15.2 8.9 48 48 O S T 4 S+ 0 0 6 -2,-0.5 -1,-0.1 2,-0.2 4,-0.1 0.678 99.0 31.6 -59.2 -32.8 -2.7 -12.0 6.8 49 49 O V T 4 S+ 0 0 8 2,-0.1 -1,-0.2 187,-0.1 188,-0.1 0.781 130.9 29.1 -95.2 -43.5 0.9 -12.8 5.6 50 50 O H T 4 S- 0 0 33 1,-0.2 -2,-0.2 236,-0.0 -1,-0.0 0.380 100.1-132.0-104.3 5.8 1.1 -16.6 5.5 51 51 O G E < -G 47 0B 31 -4,-2.0 -4,-0.9 2,-0.1 -1,-0.2 -0.105 53.6 -14.2 72.3-168.5 -2.5 -17.5 4.8 52 52 O R E -G 46 0B 106 -6,-0.2 2,-0.4 901,-0.1 -6,-0.2 -0.360 69.8-114.8 -67.1 144.2 -4.7 -20.2 6.6 53 53 O L - 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