==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-MAR-99 1GYQ . COMPND 2 MOLECULE: PROTEIN (GLYCERALDEHYDE-3-PHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA; . AUTHOR S.SURESH,W.HOL . 1432 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47027.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1067 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 204 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 145 10.1 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 . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 150 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 142 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 323 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 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 8 1 4 0 3 5 1 0 4 5 0 3 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 14 4 4 16 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 . 1 4 2 10 0 0 1 7 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 . 0 0 0 0 0 1 3 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 A A 0 0 127 0, 0.0 2,-0.1 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 105.5 13.4 97.5 2.4 2 2 A P - 0 0 62 0, 0.0 2,-0.6 0, 0.0 29,-0.3 -0.332 360.0-126.2 -63.2 129.6 11.8 93.9 2.4 3 3 A I E -a 31 0A 19 27,-2.1 29,-2.2 -2,-0.1 2,-0.7 -0.726 28.8-129.9 -80.0 115.4 14.3 91.1 2.7 4 4 A K E +a 32 0A 57 -2,-0.6 102,-2.3 27,-0.2 101,-1.5 -0.670 40.7 166.5 -77.9 108.0 13.5 88.9 -0.2 5 5 A V E -ab 33 106A 1 27,-2.5 29,-3.2 -2,-0.7 30,-0.8 -0.870 24.4-172.6-126.6 159.6 13.1 85.4 1.0 6 6 A G E -ab 35 107A 0 100,-1.6 102,-2.2 -2,-0.3 2,-0.6 -0.978 20.3-137.4-146.9 137.4 11.8 82.1 -0.1 7 7 A I E -ab 36 108A 0 28,-2.3 30,-2.6 -2,-0.3 2,-1.0 -0.879 9.1-158.6-100.7 115.8 11.4 79.0 1.9 8 8 A N E S+ab 37 109A 4 100,-2.9 102,-1.0 -2,-0.6 103,-0.3 -0.791 77.6 21.4 -94.3 100.4 12.5 75.7 0.2 9 9 A G - 0 0 5 28,-2.0 2,-1.4 -2,-1.0 5,-0.2 0.711 68.5-154.8 109.1 86.5 10.7 72.9 2.1 10 10 A F + 0 0 0 27,-0.8 -1,-0.1 -3,-0.2 101,-0.1 -0.467 51.5 114.0 -91.2 65.6 7.7 74.0 4.0 11 11 A G S > S- 0 0 27 -2,-1.4 4,-2.0 99,-0.4 5,-0.2 0.325 86.4 -39.0-103.7-128.5 7.5 71.3 6.8 12 12 A R H > S+ 0 0 23 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.996 144.1 31.5 -68.9 -58.1 8.0 71.6 10.6 13 13 A I H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.845 119.2 56.1 -68.2 -32.4 10.8 74.1 10.5 14 14 A G H > S+ 0 0 0 96,-0.3 4,-1.7 -5,-0.2 -1,-0.2 0.881 112.8 40.1 -68.2 -37.2 9.5 75.7 7.3 15 15 A R H X S+ 0 0 5 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.702 117.0 49.0 -83.7 -20.7 6.1 76.4 8.8 16 16 A M H X S+ 0 0 6 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.762 110.8 50.0 -88.3 -26.8 7.6 77.5 12.2 17 17 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.932 113.9 48.1 -69.3 -41.4 10.1 79.8 10.4 18 18 A F H X S+ 0 0 1 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.916 113.1 45.0 -63.9 -44.2 7.0 81.1 8.5 19 19 A Q H X S+ 0 0 8 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.862 111.4 54.8 -68.4 -31.9 4.9 81.5 11.7 20 20 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 6,-0.2 0.915 108.8 48.3 -64.3 -44.5 8.0 83.1 13.4 21 21 A I H <>S+ 0 0 3 -4,-2.3 5,-1.8 2,-0.2 6,-0.5 0.969 118.6 39.4 -57.7 -60.6 8.2 85.7 10.5 22 22 A C H ><5S+ 0 0 11 -4,-2.4 3,-1.5 4,-0.2 -2,-0.2 0.910 115.6 50.2 -56.5 -52.0 4.5 86.5 10.8 23 23 A D H 3<5S+ 0 0 64 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.899 104.6 56.0 -54.9 -52.1 4.2 86.5 14.6 24 24 A Q T 3<5S- 0 0 72 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.572 121.1-111.8 -57.0 -9.6 7.2 88.8 15.2 25 25 A G T < 5S+ 0 0 48 -3,-1.5 4,-0.2 -4,-0.3 -3,-0.2 0.653 84.4 120.3 85.2 21.8 5.2 91.2 12.9 26 26 A L >X + 0 0 10 -5,-1.8 4,-2.3 -6,-0.2 5,-2.0 0.753 29.2 113.4 -88.2 -30.6 7.7 91.0 10.0 27 27 A I B 45S-c 31 0A 19 -6,-0.5 2,-1.2 1,-0.2 5,-0.2 -0.199 97.2 -5.1 -51.3 129.5 5.6 89.7 7.0 28 28 A G T 45S+ 0 0 31 3,-2.2 -1,-0.2 1,-0.1 4,-0.1 -0.257 131.1 64.1 80.5 -46.3 5.2 92.4 4.3 29 29 A T T 45S- 0 0 106 -2,-1.2 -2,-0.2 -3,-0.4 -1,-0.1 0.781 126.9 -4.9 -84.0 -31.8 7.0 95.1 6.4 30 30 A E T <5S+ 0 0 73 -4,-2.3 -27,-2.1 1,-0.4 2,-0.4 0.483 134.8 41.9-136.5 -26.9 10.6 93.9 6.9 31 31 A I E < -ac 3 27A 1 -5,-2.0 -3,-2.2 -29,-0.3 2,-0.6 -0.998 60.8-164.7-135.1 129.3 10.4 90.4 5.3 32 32 A D E -a 4 0A 35 -29,-2.2 -27,-2.5 -2,-0.4 2,-1.1 -0.961 10.5-153.2-113.9 114.3 8.7 89.5 2.2 33 33 A V E -a 5 0A 0 -2,-0.6 -27,-0.2 1,-0.2 3,-0.1 -0.837 16.4-178.8 -94.1 104.3 8.2 85.8 1.8 34 34 A V E - 0 0 17 -29,-3.2 52,-2.5 -2,-1.1 2,-0.3 0.912 59.7 -7.2 -69.4 -51.0 8.1 85.7 -2.0 35 35 A A E -ad 6 86A 0 -30,-0.8 -28,-2.3 50,-0.3 2,-0.4 -0.992 48.9-149.2-152.5 154.9 7.5 82.0 -2.2 36 36 A V E -ad 7 87A 0 50,-2.1 52,-1.7 -2,-0.3 2,-0.5 -0.961 21.8-151.1-118.3 141.7 7.3 78.7 -0.4 37 37 A V E +ad 8 88A 1 -30,-2.6 -28,-2.0 -2,-0.4 -27,-0.8 -0.955 28.7 137.0-120.1 122.6 8.3 75.5 -2.1 38 38 A D E - d 0 89A 24 50,-1.0 52,-1.2 2,-0.8 -2,-0.0 -0.920 66.2 -73.2-150.3-175.7 7.0 72.0 -1.4 39 39 A M S S+ 0 0 131 -2,-0.3 2,-0.2 50,-0.2 50,-0.1 0.604 114.5 34.1 -56.0 -13.3 5.7 68.7 -2.9 40 40 A S - 0 0 16 48,-0.1 -2,-0.8 2,-0.1 50,-0.1 -0.727 56.4-154.7-130.6-178.9 2.6 70.5 -3.9 41 41 A T + 0 0 33 -2,-0.2 2,-1.3 -4,-0.1 46,-0.2 0.058 56.1 124.0-138.5 12.7 1.3 73.8 -5.0 42 42 A N >> - 0 0 26 1,-0.2 4,-1.9 34,-0.1 3,-0.8 -0.716 43.7-166.9 -81.3 99.6 -2.2 73.4 -3.7 43 43 A A H 3> S+ 0 0 0 32,-2.8 4,-1.4 -2,-1.3 -1,-0.2 0.729 83.1 64.6 -60.2 -23.6 -2.4 76.5 -1.6 44 44 A E H 3> S+ 0 0 90 31,-0.5 4,-0.6 2,-0.2 -1,-0.2 0.841 105.6 43.5 -64.9 -35.6 -5.6 75.0 0.0 45 45 A Y H X> S+ 0 0 7 -3,-0.8 4,-2.1 2,-0.2 3,-0.8 0.914 111.5 53.3 -73.0 -46.2 -3.7 72.2 1.5 46 46 A F H 3X S+ 0 0 4 -4,-1.9 4,-1.0 1,-0.3 -2,-0.2 0.774 110.0 49.9 -55.3 -32.7 -0.8 74.4 2.6 47 47 A A H 3X S+ 0 0 5 -4,-1.4 4,-1.6 2,-0.2 -1,-0.3 0.659 104.8 55.7 -82.0 -22.7 -3.4 76.5 4.3 48 48 A Y H - 0 0 4 -2,-0.5 4,-1.0 1,-0.1 -3,-0.1 -0.972 26.4-149.3-120.0 134.9 -0.9 72.5 14.3 54 54 A T T 4 S+ 0 0 17 -2,-0.5 -1,-0.1 1,-0.2 4,-0.1 0.902 97.6 27.0 -64.8 -46.7 -1.0 69.6 16.6 55 55 A V T 4 S+ 0 0 21 1,-0.1 -1,-0.2 2,-0.1 199,-0.0 0.728 130.9 31.7 -93.2 -27.3 1.9 70.9 18.8 56 56 A H T 4 S- 0 0 10 1,-0.2 -2,-0.1 246,-0.1 -1,-0.1 0.304 97.2-136.2-118.8 15.3 1.8 74.7 18.5 57 57 A G < - 0 0 31 -4,-1.0 -1,-0.2 2,-0.0 -2,-0.1 0.038 49.5 -21.5 69.3-177.7 -1.9 75.5 18.0 58 58 A R S S- 0 0 115 -6,-0.1 -6,-0.2 1,-0.1 -7,-0.1 -0.473 75.5-122.7 -58.4 126.4 -3.9 77.7 15.7 59 59 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.215 13.2-119.8 -67.3 167.7 -1.4 80.5 14.5 60 60 A K S S+ 0 0 187 -41,-0.1 -2,-0.0 2,-0.1 -9,-0.0 0.845 90.1 71.8 -79.5 -30.6 -2.1 84.3 15.1 61 61 A Y S S- 0 0 18 -42,-0.1 2,-0.4 1,-0.1 19,-0.0 -0.152 82.7-116.6 -71.5 168.1 -2.2 85.3 11.3 62 62 A T - 0 0 90 2,-0.0 19,-1.1 -12,-0.0 2,-0.5 -0.921 21.0-157.6-109.6 143.3 -4.8 84.4 8.7 63 63 A V E -E 80 0A 12 -2,-0.4 2,-0.3 17,-0.2 17,-0.2 -0.974 11.1-178.2-118.3 132.2 -4.1 82.2 5.7 64 64 A E E -E 79 0A 121 15,-1.0 15,-2.3 -2,-0.5 2,-0.6 -0.932 19.9-136.8-121.3 148.9 -6.2 82.4 2.6 65 65 A A E +E 78 0A 36 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.929 29.0 174.6-117.0 117.0 -5.9 80.3 -0.6 66 66 A V E -E 77 0A 31 11,-2.9 11,-2.6 -2,-0.6 10,-1.4 -0.821 32.2-118.6-115.3 156.0 -6.3 82.1 -3.9 67 67 A K - 0 0 91 8,-0.3 8,-0.1 -2,-0.3 6,-0.0 -0.792 13.3-150.4 -87.1 132.0 -6.0 81.3 -7.6 68 68 A S S S+ 0 0 47 -2,-0.4 -1,-0.1 1,-0.3 7,-0.1 0.901 89.6 3.3 -67.4 -39.6 -3.3 83.4 -9.4 69 69 A S S > S- 0 0 53 -3,-0.1 3,-1.6 1,-0.0 -1,-0.3 -0.971 72.3-124.4-136.0 145.3 -5.4 83.1 -12.5 70 70 A P T 3 S+ 0 0 121 0, 0.0 -2,-0.0 0, 0.0 5,-0.0 0.532 108.9 77.0 -60.1 -6.3 -8.8 81.4 -12.9 71 71 A S T 3 S+ 0 0 113 -4,-0.0 2,-0.3 2,-0.0 -4,-0.0 0.611 78.6 82.9 -79.1 -18.8 -6.9 79.5 -15.6 72 72 A V S < S- 0 0 32 -3,-1.6 3,-0.1 1,-0.1 4,-0.0 -0.666 79.7-133.9 -88.0 150.7 -5.2 77.4 -12.9 73 73 A E S S+ 0 0 142 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.883 82.4 17.5 -68.8 -45.0 -7.1 74.4 -11.5 74 74 A T S S- 0 0 49 -8,-0.1 -1,-0.2 -33,-0.1 -31,-0.1 -0.975 98.9 -76.0-135.0 151.8 -6.6 74.8 -7.8 75 75 A A + 0 0 7 -2,-0.3 -32,-2.8 1,-0.1 -31,-0.5 -0.013 44.3 173.5 -45.2 129.4 -5.5 77.7 -5.6 76 76 A D + 0 0 18 -10,-1.4 11,-2.4 -34,-0.2 2,-0.4 0.302 51.6 74.0-128.8 7.3 -1.8 78.3 -5.9 77 77 A V E -EF 66 86A 2 -11,-2.6 -11,-2.9 9,-0.2 2,-0.5 -0.980 63.4-145.6-129.1 136.4 -1.2 81.5 -3.9 78 78 A L E -EF 65 85A 2 7,-2.3 7,-2.8 -2,-0.4 2,-0.7 -0.852 6.2-161.7 -99.0 126.9 -1.2 82.0 -0.2 79 79 A V E -EF 64 84A 16 -15,-2.3 -15,-1.0 -2,-0.5 2,-0.9 -0.863 10.6-177.5-111.3 95.7 -2.5 85.3 1.1 80 80 A V E > S-EF 63 83A 0 3,-1.9 3,-1.1 -2,-0.7 -17,-0.2 -0.842 76.0 -23.4 -98.0 105.9 -1.2 85.6 4.7 81 81 A N T 3 S- 0 0 91 -19,-1.1 -1,-0.2 -2,-0.9 3,-0.1 0.961 127.7 -47.6 58.8 55.6 -2.6 88.8 6.1 82 82 A G T 3 S+ 0 0 72 -3,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.282 116.9 115.0 74.4 -15.6 -3.2 90.5 2.7 83 83 A H E < - 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