==== 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 21-JUL-09 3IDS . COMPND 2 MOLECULE: GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, GLYCOSO . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR T.L.BALLIANO,R.V.C.GUIDO,A.D.ANDRICOPULO,G.OLIVA . 1436 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50476.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1030 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 198 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 10.3 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 . 3 0.2 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 . 2 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 . 112 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 328 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 2.1 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 11 1 4 0 4 4 0 0 4 4 0 4 0 0 0 0 1 0 3 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 5 4 15 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 1 11 0 0 4 4 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 0 0 0 0 4 0 0 4 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 0 143 0, 0.0 2,-0.3 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 -40.4 22.9 -8.2 -20.8 2 2 C P - 0 0 41 0, 0.0 2,-0.5 0, 0.0 29,-0.3 -0.648 360.0-106.9 -93.4 152.5 23.9 -7.9 -17.1 3 3 C I E -a 31 0A 11 27,-2.2 29,-1.7 -2,-0.3 2,-1.3 -0.597 26.5-133.0 -78.2 120.7 25.5 -4.8 -15.5 4 4 C K E +a 32 0A 85 -2,-0.5 102,-1.6 27,-0.1 101,-1.1 -0.605 40.6 173.7 -77.4 94.0 29.2 -5.3 -14.7 5 5 C V E -ab 33 106A 1 27,-2.0 29,-2.7 -2,-1.3 30,-0.8 -0.814 22.7-170.9-113.3 143.3 29.3 -4.0 -11.1 6 6 C G E -ab 35 107A 0 100,-2.2 102,-1.4 -2,-0.3 2,-0.8 -0.944 15.9-145.2-134.5 113.8 32.1 -3.9 -8.5 7 7 C I E -ab 36 108A 0 28,-1.2 30,-1.2 -2,-0.4 2,-0.6 -0.664 13.6-162.8 -79.7 110.6 31.4 -2.9 -4.9 8 8 C N E S+ab 37 109A 7 100,-2.1 102,-3.0 -2,-0.8 103,-0.2 -0.846 72.1 33.4 -94.6 120.2 34.3 -1.0 -3.4 9 9 C G > - 0 0 5 28,-2.6 2,-1.8 -2,-0.6 5,-0.8 0.829 67.3-164.3 100.2 62.1 34.3 -0.9 0.3 10 10 C F T 5 + 0 0 0 27,-2.2 28,-0.2 -3,-0.2 -1,-0.1 -0.111 51.7 113.6 -74.9 42.0 32.7 -4.1 1.3 11 11 C G T >5S- 0 0 17 -2,-1.8 4,-2.8 99,-0.3 5,-0.2 0.156 91.8 -48.2 -84.4-152.2 32.1 -2.9 4.9 12 12 C R H >5S+ 0 0 28 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.941 141.7 38.4 -47.4 -62.3 28.6 -2.3 6.4 13 13 C I H >5S+ 0 0 47 97,-0.2 4,-2.3 1,-0.2 5,-0.2 0.916 115.4 53.1 -61.0 -49.0 27.2 -0.3 3.4 14 14 C G H >S+ 0 0 4 -4,-2.5 5,-0.9 1,-0.2 -1,-0.2 0.709 117.6 32.7 -60.9 -24.8 21.1 -6.7 -4.9 22 22 C C H ><5S+ 0 0 5 -4,-0.8 3,-1.8 -3,-0.4 -2,-0.2 0.785 110.1 62.6 -99.2 -40.7 20.1 -10.2 -3.9 23 23 C E H 3<5S+ 0 0 62 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.833 101.6 53.6 -56.4 -38.5 16.9 -9.6 -1.9 24 24 C D T 3<5S- 0 0 66 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.1 0.558 117.3-119.0 -72.4 -10.1 15.3 -8.1 -5.0 25 25 C G T < 5S+ 0 0 47 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.1 0.870 79.1 117.6 75.8 41.7 16.2 -11.3 -6.8 26 26 C L >X + 0 0 9 -5,-0.9 5,-2.3 3,-0.1 4,-1.0 0.267 26.7 123.1-126.2 10.8 18.4 -9.8 -9.5 27 27 C L B 45S+c 31 0A 32 -5,-0.2 2,-0.8 1,-0.2 5,-0.2 -0.639 88.7 3.6 -74.7 127.2 21.9 -11.3 -8.9 28 28 C G T 45S+ 0 0 32 3,-2.7 -1,-0.2 -2,-0.4 4,-0.1 -0.441 126.9 62.3 96.6 -57.8 23.0 -13.1 -12.1 29 29 C T T 45S- 0 0 100 -2,-0.8 -2,-0.1 2,-0.1 3,-0.1 0.972 126.7 -1.1 -67.4 -59.9 20.0 -12.1 -14.3 30 30 C E T <5S+ 0 0 98 -4,-1.0 -27,-2.2 1,-0.3 2,-0.5 0.722 133.5 42.9-106.4 -30.9 20.2 -8.3 -14.5 31 31 C I E < -ac 3 27A 1 -5,-2.3 -3,-2.7 -29,-0.3 2,-0.8 -0.980 62.3-162.3-125.1 123.4 23.2 -7.5 -12.3 32 32 C D E -a 4 0A 48 -29,-1.7 -27,-2.0 -2,-0.5 2,-0.8 -0.891 11.0-152.6-103.0 103.4 26.5 -9.3 -12.4 33 33 C V E +a 5 0A 0 -2,-0.8 -27,-0.2 1,-0.2 3,-0.1 -0.702 18.8 176.7 -76.9 109.3 28.5 -8.6 -9.3 34 34 C V E - 0 0 35 -29,-2.7 52,-2.2 -2,-0.8 2,-0.3 0.951 56.8 -3.5 -79.3 -54.7 32.1 -9.1 -10.5 35 35 C A E -ad 6 86A 0 -30,-0.8 -28,-1.2 50,-0.2 2,-0.3 -0.992 49.9-159.6-147.2 145.6 34.1 -8.2 -7.5 36 36 C V E -ad 7 87A 0 50,-3.0 52,-1.3 -2,-0.3 2,-0.3 -0.853 15.3-164.1-117.5 161.1 33.9 -6.9 -3.9 37 37 C V E +a 8 0A 1 -30,-1.2 -28,-2.6 -2,-0.3 -27,-2.2 -0.895 23.2 146.5-155.3 118.0 36.7 -5.3 -1.9 38 38 C D - 0 0 24 2,-0.6 52,-0.5 50,-0.3 -27,-0.1 -0.065 67.1 -77.6-111.7-136.5 37.4 -4.5 1.8 39 39 C M S S+ 0 0 141 50,-0.1 51,-0.4 -2,-0.1 2,-0.1 0.863 111.5 42.6 -98.0 -49.4 40.9 -4.6 3.3 40 40 C N S S- 0 0 35 49,-0.1 -2,-0.6 2,-0.1 50,-0.1 -0.360 70.3-141.5 -84.5 176.7 41.5 -8.3 3.8 41 41 C T + 0 0 50 -2,-0.1 2,-1.6 -4,-0.1 46,-0.1 0.095 48.3 140.0-128.3 23.8 40.6 -10.9 1.3 42 42 C D >> - 0 0 32 1,-0.2 4,-2.4 2,-0.1 3,-0.8 -0.465 29.5-173.1 -70.7 90.4 39.4 -13.7 3.6 43 43 C A H 3> S+ 0 0 0 -2,-1.6 4,-2.7 32,-1.1 -1,-0.2 0.889 84.8 58.5 -52.2 -38.3 36.5 -14.9 1.7 44 44 C E H 3> S+ 0 0 84 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.895 107.8 45.2 -59.3 -40.5 35.6 -17.0 4.7 45 45 C Y H <> S+ 0 0 2 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.890 111.9 51.6 -69.6 -42.5 35.4 -13.9 6.9 46 46 C F H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.924 109.5 50.6 -57.7 -46.9 33.3 -12.0 4.3 47 47 C A H X S+ 0 0 1 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.860 109.3 50.8 -60.9 -40.0 30.9 -15.0 4.0 48 48 C Y H X S+ 0 0 4 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.929 110.4 49.2 -62.2 -46.9 30.5 -15.0 7.9 49 49 C Q H < S+ 0 0 10 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.861 113.7 46.8 -59.9 -37.9 29.8 -11.3 7.8 50 50 C M H < S+ 0 0 12 -4,-2.2 9,-0.2 1,-0.2 -1,-0.2 0.822 111.0 52.2 -74.1 -32.9 27.2 -11.8 5.1 51 51 C R H < S+ 0 0 55 -4,-2.0 8,-1.7 -5,-0.2 2,-0.5 0.901 110.4 45.6 -71.9 -42.8 25.6 -14.7 6.8 52 52 C Y E < +J 58 0B 22 -4,-2.0 2,-0.4 6,-0.2 -1,-0.2 -0.910 58.7 173.6-117.6 125.3 24.9 -13.1 10.2 53 53 C D E > -J 57 0B 8 4,-0.7 4,-1.3 -2,-0.5 -3,-0.0 -0.995 24.3-152.0-130.6 125.5 23.5 -9.7 10.9 54 54 C T T 4 S+ 0 0 20 -2,-0.4 -1,-0.1 2,-0.1 4,-0.1 0.868 99.6 26.4 -59.6 -38.7 22.7 -8.4 14.4 55 55 C V T 4 S+ 0 0 25 2,-0.1 -1,-0.1 1,-0.1 199,-0.1 0.896 127.7 38.5 -93.7 -47.1 20.0 -6.1 13.0 56 56 C H T 4 S- 0 0 14 1,-0.3 -2,-0.1 246,-0.0 -1,-0.1 0.443 96.9-138.2 -94.7 -0.1 18.7 -7.6 9.8 57 57 C G E < -J 53 0B 31 -4,-1.3 -4,-0.7 2,-0.0 2,-0.3 -0.372 51.3 -10.9 80.7-159.5 18.8 -11.3 10.8 58 58 C K E S-J 52 0B 91 -6,-0.2 2,-0.2 -2,-0.1 -6,-0.2 -0.613 70.1-114.7 -81.3 134.1 20.0 -14.3 8.7 59 59 C F - 0 0 18 -8,-1.7 4,-0.1 -2,-0.3 -1,-0.1 -0.483 20.5-138.2 -66.9 134.2 20.7 -13.9 5.0 60 60 C K S S+ 0 0 162 -2,-0.2 2,-0.4 2,-0.1 -1,-0.1 0.499 80.4 70.3 -79.2 -6.6 18.2 -15.9 2.9 61 61 C Y S S- 0 0 73 -10,-0.0 2,-0.2 19,-0.0 -2,-0.1 -0.941 85.3-117.3-115.4 136.3 20.8 -17.2 0.4 62 62 C E - 0 0 154 -2,-0.4 19,-0.8 1,-0.0 2,-0.4 -0.503 28.4-154.7 -72.2 132.4 23.5 -19.8 1.1 63 63 C V E +E 80 0A 6 -2,-0.2 2,-0.3 17,-0.1 17,-0.2 -0.912 15.5 174.5-112.4 135.3 27.1 -18.5 0.7 64 64 C T E -E 79 0A 82 15,-1.9 15,-2.7 -2,-0.4 2,-0.3 -0.824 18.4-136.0-128.2 169.2 30.2 -20.6 -0.0 65 65 C T E +E 78 0A 15 -2,-0.3 2,-0.2 13,-0.2 13,-0.2 -0.984 22.8 165.7-131.4 144.1 33.8 -19.8 -0.8 66 66 C T E -E 77 0A 50 11,-2.2 10,-1.8 -2,-0.3 11,-1.6 -0.825 35.7 -94.6-138.7 179.0 36.4 -21.1 -3.3 67 67 C K - 0 0 88 8,-0.2 8,-0.1 -2,-0.2 6,-0.0 -0.685 11.0-155.6 -95.2 153.6 39.8 -20.2 -4.8 68 68 C S S S+ 0 0 65 1,-0.4 -1,-0.1 -2,-0.3 7,-0.1 0.749 87.4 6.2 -91.3 -35.2 40.3 -18.3 -8.0 69 69 C S > - 0 0 43 3,-0.1 3,-1.0 1,-0.0 -1,-0.4 -0.990 68.8-126.2-146.1 146.4 43.8 -19.9 -8.5 70 70 C P T 3 S+ 0 0 128 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.689 99.9 77.1 -63.4 -19.1 45.7 -22.7 -6.6 71 71 C S T 3 S+ 0 0 104 -3,-0.0 2,-0.2 0, 0.0 0, 0.0 0.808 81.0 79.9 -66.2 -28.6 48.7 -20.3 -6.1 72 72 C V S < S- 0 0 64 -3,-1.0 -3,-0.1 1,-0.1 4,-0.1 -0.529 79.8-125.7 -89.5 145.7 47.0 -18.3 -3.3 73 73 C A S S+ 0 0 98 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.907 82.5 7.6 -48.7 -69.8 46.8 -19.4 0.4 74 74 C K S S- 0 0 109 1,-0.2 -8,-0.1 -8,-0.0 -31,-0.0 -0.774 94.8 -67.2-121.0 165.4 43.1 -19.1 1.2 75 75 C D + 0 0 23 -2,-0.3 -32,-1.1 -8,-0.1 -8,-0.2 0.170 34.3 176.8 -46.7 155.5 40.0 -18.5 -0.7 76 76 C D + 0 0 18 -10,-1.8 11,-2.3 -34,-0.2 2,-0.4 0.136 53.2 84.1-150.1 23.8 39.1 -15.4 -2.4 77 77 C T E -EF 66 86A 2 -11,-1.6 -11,-2.2 9,-0.2 2,-0.3 -0.982 57.9-149.0-138.8 127.0 35.9 -16.0 -4.1 78 78 C L E -EF 65 85A 0 7,-3.2 7,-2.7 -2,-0.4 2,-0.5 -0.668 7.6-155.0 -92.0 145.7 32.3 -15.9 -2.8 79 79 C V E +EF 64 84A 29 -15,-2.7 -15,-1.9 -2,-0.3 2,-0.5 -0.952 18.0 168.3-126.8 111.0 29.5 -18.1 -4.2 80 80 C V E > S-EF 63 83A 1 3,-2.1 3,-1.5 -2,-0.5 -17,-0.1 -0.964 79.2 -20.4-124.6 111.8 25.9 -17.0 -3.9 81 81 C N T 3 S- 0 0 118 -19,-0.8 -1,-0.1 -2,-0.5 3,-0.1 0.867 126.4 -53.5 56.1 42.1 23.3 -19.0 -5.9 82 82 C G T 3 S+ 0 0 60 1,-0.2 2,-0.4 -54,-0.0 -1,-0.3 0.174 109.9 128.0 82.3 -17.9 26.1 -20.3 -8.2 83 83 C H E < - 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