==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-SEP-03 1QXS . COMPND 2 MOLECULE: GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE, . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR M.S.CASTILHO,F.PAVAO,G.OLIVA . 1436 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49257.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1041 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 183 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 152 10.6 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 . 2 0.1 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 . 4 0.3 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 . 132 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 311 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.9 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 10 3 2 0 3 4 0 0 4 7 0 1 0 0 0 1 1 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 14 4 6 14 2 1 0 3 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 6 1 8 3 0 2 6 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 . 2 0 1 0 0 4 1 0 3 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 1 C M 0 0 126 0, 0.0 2,-0.3 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 67.7 11.5 -7.8 72.8 2 2 C P - 0 0 50 0, 0.0 29,-0.3 0, 0.0 28,-0.2 -0.387 360.0-128.0 -59.1 115.3 10.1 -8.1 69.3 3 3 C I E -a 31 0A 10 27,-3.7 29,-2.6 -2,-0.3 2,-0.7 -0.323 21.9-121.2 -62.2 146.6 9.1 -4.6 68.2 4 4 C K E +a 32 0A 53 27,-0.2 102,-2.1 29,-0.1 2,-0.3 -0.838 37.6 174.8 -99.8 116.2 5.5 -4.5 66.9 5 5 C V E -ab 33 106A 1 27,-1.9 29,-1.4 -2,-0.7 30,-0.7 -0.915 19.4-168.5-124.0 147.4 5.0 -3.3 63.3 6 6 C G - 0 0 0 100,-1.4 2,-0.6 -2,-0.3 102,-0.2 -0.882 12.2-154.5-136.0 103.3 2.1 -2.9 60.9 7 7 C I - 0 0 0 28,-0.4 2,-0.7 -2,-0.4 3,-0.3 -0.653 8.8-165.0 -80.0 118.7 2.8 -2.2 57.2 8 8 C N B S+c 109 0A 11 100,-2.5 102,-2.0 -2,-0.6 103,-0.5 -0.893 71.5 29.3-109.0 109.2 -0.1 -0.4 55.5 9 9 C G S S- 0 0 9 28,-2.1 2,-2.5 -2,-0.7 5,-0.5 0.754 72.3-156.3 110.9 56.1 0.1 -0.5 51.7 10 10 C F + 0 0 0 27,-4.2 29,-0.1 -3,-0.3 2,-0.1 -0.365 52.4 110.4 -65.7 76.9 2.0 -3.7 50.9 11 11 C G S > S- 0 0 16 -2,-2.5 4,-3.2 99,-0.2 5,-0.4 -0.238 84.2 -35.1-124.4-146.3 3.3 -2.6 47.5 12 12 C R H > S+ 0 0 35 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.905 141.5 25.5 -46.8 -56.7 6.6 -1.6 45.9 13 13 C I H > S+ 0 0 37 97,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.801 119.3 59.3 -81.8 -30.8 8.1 0.0 49.0 14 14 C G H > S+ 0 0 0 -5,-0.5 4,-1.5 96,-0.3 -2,-0.2 0.947 110.5 41.9 -61.7 -47.6 6.0 -1.9 51.5 15 15 C R H X S+ 0 0 4 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.895 113.4 53.5 -66.0 -39.8 7.4 -5.2 50.3 16 16 C M H X S+ 0 0 0 -4,-1.3 4,-0.7 -5,-0.4 -1,-0.2 0.883 105.5 53.3 -63.6 -37.2 10.9 -3.7 50.1 17 17 C V H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.867 110.9 48.4 -64.6 -34.3 10.7 -2.6 53.7 18 18 C F H X S+ 0 0 2 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.928 110.5 47.4 -71.2 -45.5 9.8 -6.2 54.6 19 19 C Q H X S+ 0 0 11 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.627 107.3 62.7 -70.9 -8.7 12.6 -7.7 52.6 20 20 C A H X S+ 0 0 0 -4,-0.7 4,-1.2 -5,-0.2 -1,-0.2 0.922 103.8 45.1 -77.4 -47.7 14.7 -5.0 54.4 21 21 C L H ><>S+ 0 0 2 -4,-1.6 5,-2.0 2,-0.2 3,-0.9 0.967 113.6 48.5 -57.6 -59.2 13.9 -6.5 57.8 22 22 C C H ><5S+ 0 0 6 -4,-1.9 3,-2.7 1,-0.3 -1,-0.2 0.895 105.2 58.5 -49.3 -49.8 14.6 -10.1 56.8 23 23 C E H 3<5S+ 0 0 75 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.853 110.1 44.8 -50.7 -38.1 17.9 -9.2 55.1 24 24 C D T <<5S- 0 0 66 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.271 114.6-117.2 -91.6 10.5 19.0 -7.8 58.5 25 25 C G T < 5S+ 0 0 49 -3,-2.7 5,-0.4 -4,-0.1 -3,-0.2 0.835 77.6 128.0 57.6 35.0 17.7 -10.8 60.4 26 26 C L X + 0 0 12 -5,-2.0 5,-3.4 3,-0.1 2,-0.3 0.555 31.6 113.9 -96.3 -10.5 15.3 -8.6 62.3 27 27 C L B 5S-d 31 0A 27 -6,-0.3 2,-0.9 1,-0.2 5,-0.2 -0.473 95.6 -8.5 -68.7 122.9 12.2 -10.7 61.6 28 28 C G T 5S+ 0 0 23 3,-2.6 -1,-0.2 -2,-0.3 4,-0.1 -0.219 135.2 62.9 86.4 -45.6 10.7 -12.3 64.7 29 29 C T T 5S+ 0 0 98 -2,-0.9 -1,-0.2 -4,-0.1 -3,-0.1 0.922 122.6 1.1 -72.0 -98.3 13.8 -11.1 66.7 30 30 C E T 5S+ 0 0 75 -5,-0.4 -27,-3.7 -28,-0.2 2,-0.3 0.925 139.2 31.8 -60.3 -48.5 14.2 -7.4 66.8 31 31 C I E < -ad 3 27A 1 -5,-3.4 -3,-2.6 -29,-0.3 2,-0.4 -0.848 64.9-160.7-116.2 151.6 11.0 -6.8 64.8 32 32 C D E -a 4 0A 38 -29,-2.6 -27,-1.9 -2,-0.3 2,-1.0 -0.928 10.6-149.9-135.2 108.8 7.8 -8.7 64.6 33 33 C V E +a 5 0A 0 -2,-0.4 3,-0.1 1,-0.2 -27,-0.1 -0.680 16.4 179.5 -80.4 101.7 5.4 -8.1 61.6 34 34 C V - 0 0 32 -29,-1.4 52,-1.2 -2,-1.0 2,-0.3 0.909 65.1 -21.7 -69.0 -45.6 2.0 -8.8 63.0 35 35 C A E -h 86 0B 0 -30,-0.7 -28,-0.4 50,-0.3 -1,-0.3 -0.909 54.7-155.5-169.5 139.1 0.1 -8.1 59.8 36 36 C V E -h 87 0B 1 50,-1.5 52,-1.4 -2,-0.3 2,-0.2 -0.134 17.8-153.7 -98.8-161.9 0.6 -6.3 56.4 37 37 C V E +h 88 0B 0 50,-0.2 -27,-4.2 -2,-0.1 -28,-2.1 -0.831 24.6 143.4 179.5 140.7 -2.1 -4.9 54.1 38 38 C D - 0 0 24 50,-0.6 52,-0.4 2,-0.6 -27,-0.1 -0.666 67.6 -55.5-152.5-153.5 -3.0 -4.0 50.5 39 39 C M S S+ 0 0 135 -2,-0.2 51,-0.7 -29,-0.1 2,-0.1 0.983 116.6 24.8 -64.5 -58.7 -6.0 -4.2 48.2 40 40 C N - 0 0 32 49,-0.1 -2,-0.6 2,-0.1 0, 0.0 -0.324 66.2-135.9 -99.4-178.3 -6.7 -7.9 48.5 41 41 C T + 0 0 54 -2,-0.1 2,-0.9 -4,-0.1 46,-0.2 0.012 54.0 135.4-127.4 24.8 -6.0 -10.5 51.2 42 42 C D > - 0 0 29 1,-0.2 4,-2.1 34,-0.1 3,-0.4 -0.677 34.1-170.2 -79.5 104.2 -4.8 -13.3 48.8 43 43 C A H > S+ 0 0 0 32,-1.7 4,-3.5 -2,-0.9 5,-0.2 0.791 84.7 60.5 -65.9 -28.8 -1.7 -14.7 50.5 44 44 C E H > S+ 0 0 79 31,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.877 110.1 41.4 -66.2 -37.5 -0.9 -16.8 47.4 45 45 C Y H > S+ 0 0 2 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.844 116.8 48.1 -78.2 -36.1 -0.7 -13.6 45.4 46 46 C F H X S+ 0 0 3 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.972 112.1 49.4 -65.8 -54.0 1.2 -11.7 48.2 47 47 C A H X S+ 0 0 2 -4,-3.5 4,-2.3 1,-0.2 -2,-0.2 0.866 111.3 51.7 -51.8 -38.8 3.6 -14.6 48.6 48 48 C Y H X S+ 0 0 5 -4,-1.3 4,-1.9 -5,-0.2 -1,-0.2 0.955 106.7 50.2 -64.5 -52.3 4.1 -14.6 44.8 49 49 C Q H < S+ 0 0 13 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.843 115.2 46.7 -54.7 -35.0 4.9 -10.8 44.6 50 50 C M H < S+ 0 0 1 -4,-2.1 9,-0.3 1,-0.2 -1,-0.2 0.868 106.8 55.5 -74.0 -42.4 7.4 -11.4 47.4 51 51 C R H < S+ 0 0 65 -4,-2.3 8,-2.4 -5,-0.2 2,-0.4 0.879 113.9 36.5 -60.9 -42.6 9.1 -14.5 45.9 52 52 C Y E < +K 58 0C 26 -4,-1.9 2,-0.4 6,-0.2 6,-0.2 -0.948 61.9 177.9-122.2 136.0 9.9 -12.9 42.6 53 53 C D E > -K 57 0C 3 4,-0.7 4,-0.9 -2,-0.4 -3,-0.0 -1.000 25.5-143.5-135.8 132.9 11.1 -9.3 41.8 54 54 C T T 4 S+ 0 0 23 -2,-0.4 -1,-0.1 2,-0.1 4,-0.1 0.872 100.6 21.3 -62.2 -40.7 12.0 -7.9 38.4 55 55 C V T 4 S+ 0 0 25 2,-0.1 -1,-0.1 1,-0.1 199,-0.1 0.865 127.0 44.6 -97.9 -41.8 14.8 -5.7 39.6 56 56 C H T 4 S- 0 0 17 1,-0.2 -2,-0.1 -4,-0.0 -1,-0.1 0.285 98.6-130.4 -90.8 10.8 15.8 -7.1 43.0 57 57 C G E < -K 53 0C 37 -4,-0.9 -4,-0.7 2,-0.0 2,-0.3 -0.235 50.1 -21.3 77.8-167.1 16.0 -10.8 42.2 58 58 C K E -K 52 0C 98 -6,-0.2 -6,-0.2 1,-0.1 -7,-0.1 -0.636 69.9-105.4 -86.1 138.1 14.4 -13.8 44.0 59 59 C F - 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