==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-AUG-02 1ML3 . 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) . 50418.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1034 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 193 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 143 10.0 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.5 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 . 133 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 171 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 304 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.0 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 3 1 0 3 4 0 0 5 6 0 0 1 0 0 2 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 15 3 5 16 0 2 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 0 10 0 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 . 1 0 0 0 0 4 0 1 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 A M 0 0 209 0, 0.0 3,-0.1 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 89.6 45.1 -34.5 37.6 2 2 A P - 0 0 62 0, 0.0 2,-0.5 0, 0.0 29,-0.2 -0.098 360.0 -99.0 -56.9 155.9 43.1 -31.4 36.7 3 3 A I E -a 31 0A 11 27,-2.6 29,-3.4 1,-0.1 2,-0.9 -0.694 30.0-135.0 -82.5 121.7 42.1 -30.7 33.1 4 4 A K E -a 32 0A 87 -2,-0.5 101,-2.5 27,-0.2 102,-2.4 -0.690 35.1-178.5 -80.0 105.8 44.4 -28.2 31.4 5 5 A V E -ab 33 106A 4 27,-2.4 29,-1.8 -2,-0.9 30,-0.9 -0.869 18.4-170.5-115.1 142.5 42.0 -25.8 29.6 6 6 A G E -ab 35 107A 0 100,-3.0 102,-3.1 -2,-0.4 2,-0.6 -0.989 12.3-148.9-128.8 135.2 42.6 -22.8 27.4 7 7 A I E -ab 36 108A 3 28,-2.0 30,-2.0 -2,-0.4 2,-0.7 -0.911 8.4-151.4-106.9 117.6 39.9 -20.3 26.3 8 8 A N E S+ab 37 109A 8 100,-2.7 102,-2.1 -2,-0.6 103,-0.2 -0.782 75.3 16.5 -90.0 114.8 40.4 -18.7 22.8 9 9 A G - 0 0 7 28,-3.1 2,-0.4 -2,-0.7 29,-0.2 0.683 65.2-150.3 92.3 107.2 38.8 -15.3 22.8 10 10 A F + 0 0 2 27,-0.2 -1,-0.1 4,-0.1 28,-0.1 -0.399 51.1 128.0-106.4 54.9 37.9 -13.7 26.1 11 11 A G S > S- 0 0 22 -2,-0.4 4,-2.3 99,-0.1 5,-0.2 0.052 83.8 -64.8 -86.5-157.0 34.9 -11.7 24.9 12 12 A R H > S+ 0 0 22 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.870 137.1 50.1 -62.5 -38.2 31.4 -11.7 26.5 13 13 A I H > S+ 0 0 84 97,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.922 110.4 48.7 -67.5 -45.6 31.0 -15.4 25.5 14 14 A G H > S+ 0 0 0 96,-0.2 4,-2.4 1,-0.2 5,-0.2 0.923 107.4 54.7 -60.8 -47.4 34.3 -16.5 27.0 15 15 A R H X S+ 0 0 2 -4,-2.3 4,-3.6 1,-0.2 5,-0.3 0.922 106.6 50.1 -53.9 -50.3 33.8 -14.8 30.3 16 16 A M H X S+ 0 0 3 -4,-1.6 4,-3.1 1,-0.2 -1,-0.2 0.906 110.4 50.5 -56.5 -43.0 30.4 -16.4 31.0 17 17 A V H X S+ 0 0 5 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.907 114.6 44.5 -61.2 -41.8 32.0 -19.8 30.3 18 18 A F H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.892 114.8 47.5 -69.4 -40.5 34.8 -19.0 32.7 19 19 A Q H X S+ 0 0 9 -4,-3.6 4,-2.9 2,-0.2 -2,-0.2 0.870 110.9 53.5 -67.2 -36.3 32.3 -17.6 35.3 20 20 A A H X S+ 0 0 2 -4,-3.1 4,-2.0 -5,-0.3 -2,-0.2 0.972 108.3 48.8 -58.9 -56.3 30.2 -20.7 34.8 21 21 A L H <>S+ 0 0 9 -4,-2.5 5,-2.1 1,-0.2 6,-0.5 0.835 113.1 49.5 -52.7 -37.7 33.2 -22.9 35.4 22 22 A C H ><5S+ 0 0 2 -4,-1.8 3,-1.9 3,-0.2 -1,-0.2 0.944 106.4 52.2 -71.0 -48.9 34.0 -20.9 38.6 23 23 A E H 3<5S+ 0 0 68 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.859 105.4 55.8 -58.3 -35.6 30.5 -20.9 40.1 24 24 A D T 3<5S- 0 0 64 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.646 117.9-117.2 -71.0 -11.4 30.4 -24.7 39.8 25 25 A G T < 5S+ 0 0 38 -3,-1.9 5,-0.2 -4,-0.3 -3,-0.2 0.872 76.6 127.5 78.5 40.1 33.7 -24.7 41.8 26 26 A L >>X + 0 0 7 -5,-2.1 5,-3.3 3,-0.2 3,-0.8 0.622 32.0 108.9-101.9 -16.9 35.9 -26.2 39.1 27 27 A L B 345S-c 31 0A 14 -6,-0.5 5,-0.2 1,-0.3 56,-0.0 -0.456 98.5 -5.7 -68.0 124.3 38.7 -23.7 38.9 28 28 A G T 345S+ 0 0 44 3,-2.3 -1,-0.3 -2,-0.3 4,-0.1 0.298 135.7 60.7 77.6 -12.7 41.9 -25.1 40.4 29 29 A T T <45S- 0 0 88 -3,-0.8 -2,-0.2 2,-0.3 -1,-0.2 0.779 124.8 -0.3-106.5 -73.3 40.1 -28.2 41.5 30 30 A E T <5S+ 0 0 97 -4,-0.6 -27,-2.6 -5,-0.2 2,-0.5 0.906 134.0 37.8 -84.5 -49.3 38.6 -30.0 38.5 31 31 A I E < -ac 3 27A 3 -5,-3.3 -3,-2.3 -29,-0.2 2,-0.9 -0.905 61.2-156.6-115.4 131.9 39.8 -27.6 35.7 32 32 A D E -a 4 0A 36 -29,-3.4 -27,-2.4 -2,-0.5 2,-1.4 -0.817 10.2-160.9-102.0 93.6 43.0 -25.7 35.4 33 33 A V E +a 5 0A 0 -2,-0.9 -27,-0.2 1,-0.2 -29,-0.1 -0.653 16.0 176.7 -75.5 99.4 42.2 -22.7 33.1 34 34 A V E - 0 0 28 -29,-1.8 52,-2.1 -2,-1.4 2,-0.3 0.909 54.7 -5.0 -71.5 -47.3 45.8 -22.1 32.2 35 35 A A E -ad 6 86A 0 -30,-0.9 -28,-2.0 50,-0.2 2,-0.3 -0.922 46.1-149.3-146.5 170.9 45.3 -19.2 29.7 36 36 A V E -ad 7 87A 0 50,-1.7 52,-1.5 -2,-0.3 2,-0.3 -0.931 20.5-153.2-144.7 112.9 42.8 -17.0 27.8 37 37 A V E +ad 8 88A 0 -30,-2.0 -28,-3.1 -2,-0.3 2,-0.3 -0.689 29.7 141.7 -91.7 145.2 43.8 -15.7 24.4 38 38 A D E - d 0 89A 16 50,-1.6 52,-1.7 -2,-0.3 -2,-0.1 -0.957 63.4-100.1-171.6 159.9 42.3 -12.4 23.1 39 39 A M S S+ 0 0 134 -2,-0.3 2,-0.4 50,-0.3 50,-0.1 0.709 108.2 62.9 -64.0 -19.8 43.3 -9.3 21.1 40 40 A N + 0 0 23 48,-0.1 -30,-0.1 1,-0.1 -2,-0.0 -0.855 54.7 179.6-108.8 145.0 43.5 -7.5 24.4 41 41 A T + 0 0 59 -2,-0.4 2,-1.5 48,-0.1 46,-0.1 0.107 41.1 121.5-130.2 20.6 45.9 -8.3 27.2 42 42 A D >> - 0 0 31 1,-0.2 3,-2.2 34,-0.1 4,-1.7 -0.675 39.8-172.4 -88.0 86.8 45.1 -5.7 29.9 43 43 A A H 3> S+ 0 0 0 -2,-1.5 4,-2.2 32,-1.1 -1,-0.2 0.786 81.7 65.1 -48.8 -31.9 44.3 -8.1 32.7 44 44 A E H 3> S+ 0 0 60 31,-0.5 4,-1.3 1,-0.2 -1,-0.3 0.848 104.5 45.4 -62.5 -33.2 43.1 -5.1 34.8 45 45 A Y H <> S+ 0 0 3 -3,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.921 110.4 52.0 -75.8 -45.1 40.4 -4.6 32.2 46 46 A F H X S+ 0 0 3 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.819 108.6 53.1 -59.9 -30.5 39.4 -8.3 32.1 47 47 A A H X S+ 0 0 2 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.881 107.9 49.7 -71.6 -38.7 39.2 -8.2 35.9 48 48 A Y H X S+ 0 0 5 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.878 109.5 52.1 -65.8 -39.9 36.8 -5.2 35.7 49 49 A Q H < S+ 0 0 11 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.835 114.5 41.5 -67.3 -33.4 34.6 -7.1 33.1 50 50 A M H < S+ 0 0 1 -4,-1.5 9,-0.4 -5,-0.2 -2,-0.2 0.887 110.4 58.0 -78.1 -43.3 34.3 -10.2 35.3 51 51 A R H < S+ 0 0 70 -4,-2.6 8,-1.5 -5,-0.2 2,-0.3 0.870 114.8 32.0 -55.9 -42.4 33.8 -8.2 38.5 52 52 A Y < + 0 0 25 -4,-1.8 2,-0.3 6,-0.2 6,-0.1 -0.802 60.1 173.5-119.4 160.0 30.8 -6.4 37.2 53 53 A D > - 0 0 6 -2,-0.3 4,-0.9 1,-0.1 -3,-0.0 -0.848 29.3-139.5-165.2 124.8 28.0 -7.4 34.8 54 54 A T T 4 S+ 0 0 21 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.859 101.8 22.0 -58.8 -37.9 24.8 -5.4 33.9 55 55 A V T 4 S+ 0 0 23 2,-0.1 -1,-0.2 1,-0.1 199,-0.1 0.851 122.8 48.0 -98.5 -41.5 22.6 -8.5 33.9 56 56 A H T 4 S- 0 0 15 1,-0.3 -2,-0.1 -4,-0.0 -1,-0.1 0.338 97.2-130.1 -88.2 8.8 24.2 -11.2 35.9 57 57 A G < - 0 0 39 -4,-0.9 2,-0.3 2,-0.0 -1,-0.3 -0.335 51.5 -24.3 79.1-162.4 25.1 -9.2 39.0 58 58 A K S S- 0 0 105 -6,-0.1 -6,-0.2 1,-0.1 -7,-0.1 -0.717 73.8 -99.1 -93.3 139.3 28.5 -9.1 40.7 59 59 A F - 0 0 28 -8,-1.5 -1,-0.1 -9,-0.4 4,-0.1 -0.187 24.9-134.6 -53.6 139.5 30.9 -12.0 40.4 60 60 A K S S+ 0 0 169 -41,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.801 84.7 56.0 -68.9 -31.7 31.0 -14.4 43.4 61 61 A Y S S- 0 0 69 1,-0.0 2,-0.1 19,-0.0 -2,-0.1 -0.791 89.1-110.2-107.5 148.8 34.7 -14.6 43.7 62 62 A E - 0 0 154 -2,-0.3 19,-0.5 1,-0.0 2,-0.4 -0.415 31.8-153.0 -69.5 149.3 37.2 -11.8 44.1 63 63 A V E +E 80 0A 2 17,-0.1 2,-0.3 -2,-0.1 17,-0.2 -0.984 17.0 174.0-130.3 122.0 39.4 -11.2 41.1 64 64 A T E -E 79 0A 58 15,-2.2 15,-2.6 -2,-0.4 2,-0.3 -0.827 18.5-136.5-121.9 163.3 42.9 -9.7 41.3 65 65 A T E +E 78 0A 37 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.861 22.7 167.7-121.0 156.1 45.7 -9.1 38.7 66 66 A T E -E 77 0A 52 11,-1.9 10,-1.2 -2,-0.3 11,-0.8 -0.984 36.3 -93.5-158.6 165.7 49.4 -9.7 38.7 67 67 A K - 0 0 75 -2,-0.3 8,-0.1 8,-0.2 5,-0.0 -0.574 17.9-145.7 -84.9 147.5 52.5 -9.8 36.5 68 68 A S S S+ 0 0 59 1,-0.3 -1,-0.1 -2,-0.2 7,-0.0 0.746 93.4 11.9 -80.7 -24.8 53.7 -13.1 35.2 69 69 A S S S- 0 0 42 1,-0.0 -1,-0.3 -3,-0.0 -3,-0.0 -0.977 83.0-113.3-151.9 137.9 57.2 -11.8 35.6 70 70 A P S S+ 0 0 132 0, 0.0 2,-1.7 0, 0.0 -1,-0.0 0.757 108.0 77.4 -41.8 -29.6 58.5 -8.7 37.4 71 71 A S S S+ 0 0 103 -4,-0.0 2,-0.3 -3,-0.0 -3,-0.0 -0.395 74.3 99.8 -84.6 60.5 59.4 -7.4 33.9 72 72 A V - 0 0 39 -2,-1.7 3,-0.1 1,-0.2 -5,-0.1 -0.965 57.3-152.8-148.8 128.3 55.9 -6.3 32.9 73 73 A A S S+ 0 0 88 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.975 83.7 23.4 -60.4 -88.2 54.2 -2.9 32.9 74 74 A K S S- 0 0 102 1,-0.1 -1,-0.2 2,-0.0 -31,-0.2 -0.669 102.4 -91.7 -86.1 136.4 50.5 -3.6 33.3 75 75 A D - 0 0 27 -2,-0.3 -32,-1.1 1,-0.1 -31,-0.5 -0.016 37.0-173.9 -41.6 144.7 49.5 -6.9 34.9 76 76 A D + 0 0 29 -10,-1.2 11,-2.5 -34,-0.2 2,-0.3 -0.019 56.6 76.8-135.8 27.8 48.9 -9.7 32.4 77 77 A T E -EF 66 86A 0 -11,-0.8 -11,-1.9 9,-0.2 2,-0.3 -0.992 65.9-139.4-145.3 132.9 47.6 -12.4 34.6 78 78 A L E -EF 65 85A 0 7,-4.1 7,-3.9 -2,-0.3 2,-0.5 -0.707 14.8-156.2 -92.6 142.7 44.1 -13.0 36.2 79 79 A V E +EF 64 84A 22 -15,-2.6 -15,-2.2 -2,-0.3 2,-0.4 -0.974 19.4 163.6-125.7 121.3 43.8 -14.3 39.7 80 80 A V E > S-EF 63 83A 0 3,-2.3 3,-2.1 -2,-0.5 -17,-0.1 -0.970 77.2 -16.0-136.9 118.4 40.8 -16.1 41.1 81 81 A N T 3 S- 0 0 97 -19,-0.5 3,-0.1 -2,-0.4 -1,-0.1 0.942 128.1 -54.4 52.7 49.3 40.9 -18.1 44.3 82 82 A G T 3 S+ 0 0 68 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.527 110.4 131.6 64.9 3.1 44.7 -18.1 44.1 83 83 A H E < - 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