==== 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 24-NOV-09 3KSZ . COMPND 2 MOLECULE: GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR S.MUKHERJEE,D.DUTTA,B.SAHA,A.K.DAS . 1335 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 963 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 180 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 164 12.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 154 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 270 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.2 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 2 2 0 0 4 6 4 1 3 0 0 0 2 6 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 0 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 4 4 8 4 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 . 0 0 0 0 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 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 2 O A 0 0 90 0, 0.0 2,-0.5 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 157.0 38.1 16.5 13.4 2 3 O V E -a 26 0A 35 23,-2.4 25,-2.4 1,-0.1 2,-0.6 -0.723 360.0-132.2 -89.5 120.7 34.9 16.0 11.3 3 4 O K E -a 27 0A 65 -2,-0.5 87,-2.4 85,-0.2 88,-2.0 -0.622 28.1-174.2 -84.2 111.0 31.8 17.3 13.2 4 5 O V E -ab 28 91A 0 23,-2.9 25,-2.7 -2,-0.6 26,-1.1 -0.839 13.0-169.3-108.5 140.6 28.9 14.8 13.2 5 6 O A E -ab 30 92A 0 86,-2.1 88,-2.9 -2,-0.4 2,-0.6 -0.994 14.3-146.8-122.5 132.9 25.4 15.3 14.5 6 7 O I E -ab 31 93A 0 24,-1.9 26,-2.2 -2,-0.4 2,-0.8 -0.909 5.2-158.4-101.6 114.1 23.1 12.2 14.9 7 8 O N E S+ab 32 94A 2 86,-3.0 88,-3.1 -2,-0.6 89,-0.4 -0.854 76.5 22.0 -92.1 108.3 19.4 12.9 14.2 8 9 O G - 0 0 5 24,-3.0 2,-1.0 -2,-0.8 5,-0.3 0.745 69.0-147.6 97.8 94.0 17.5 10.1 15.9 9 10 O F + 0 0 0 23,-0.5 -1,-0.1 4,-0.2 24,-0.1 -0.208 57.2 122.3 -85.5 47.3 19.3 8.4 18.7 10 11 O G S > S- 0 0 21 -2,-1.0 4,-3.1 85,-0.2 5,-0.3 0.261 82.8 -53.8 -85.4-149.2 17.7 5.0 18.1 11 12 O R H > S+ 0 0 33 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.945 140.4 33.6 -61.0 -51.7 19.2 1.5 17.3 12 13 O I H > S+ 0 0 32 83,-0.2 4,-2.9 2,-0.2 5,-0.2 0.912 119.1 53.6 -69.3 -44.3 21.2 2.7 14.3 13 14 O G H > S+ 0 0 0 82,-0.3 4,-2.0 -5,-0.3 -2,-0.2 0.907 111.8 43.4 -57.4 -46.4 21.9 6.2 15.8 14 15 O R H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.908 115.2 48.0 -70.5 -40.2 23.3 4.8 19.1 15 16 O L H X S+ 0 0 0 -4,-1.7 4,-3.4 -5,-0.3 5,-0.3 0.928 109.4 53.7 -66.4 -40.8 25.4 2.1 17.4 16 17 O A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.924 108.5 51.6 -52.5 -46.1 26.7 4.8 14.9 17 18 O F H X S+ 0 0 2 -4,-2.0 4,-1.2 -5,-0.2 -2,-0.2 0.951 112.6 44.4 -54.2 -48.9 27.7 6.7 18.1 18 19 O R H >X S+ 0 0 28 -4,-2.2 4,-1.0 1,-0.2 3,-0.6 0.933 113.1 49.4 -65.5 -48.0 29.5 3.6 19.5 19 20 O R H 3< S+ 0 0 42 -4,-3.4 4,-0.5 1,-0.2 3,-0.4 0.839 105.1 59.0 -60.0 -36.9 31.3 2.8 16.3 20 21 O I H >< S+ 0 0 2 -4,-2.3 3,-0.8 -5,-0.3 6,-0.3 0.812 96.9 61.0 -64.0 -32.2 32.4 6.4 15.8 21 22 O Q H << S+ 0 0 82 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.895 104.9 49.3 -58.5 -39.3 34.3 6.2 19.2 22 23 O E T 3< S+ 0 0 144 -4,-1.0 2,-0.6 -3,-0.4 -1,-0.2 0.596 101.9 77.3 -74.2 -13.6 36.4 3.3 17.6 23 24 O V S X S- 0 0 40 -3,-0.8 3,-1.1 -4,-0.5 -1,-0.1 -0.892 79.3-130.0-113.8 115.6 37.2 5.4 14.5 24 25 O E T 3 S+ 0 0 188 -2,-0.6 3,-0.1 1,-0.2 -2,-0.1 -0.176 84.3 23.4 -59.4 143.8 39.8 8.2 14.4 25 26 O G T 3 S+ 0 0 39 1,-0.2 -23,-2.4 -24,-0.0 2,-0.4 0.328 94.9 100.1 84.7 -6.7 38.9 11.6 13.0 26 27 O L E < -a 2 0A 17 -3,-1.1 2,-0.4 -6,-0.3 -1,-0.2 -0.950 48.8-174.1-108.8 134.6 35.1 11.5 13.5 27 28 O E E -a 3 0A 50 -25,-2.4 -23,-2.9 -2,-0.4 2,-0.7 -0.973 19.1-146.5-132.5 116.9 33.6 13.3 16.4 28 29 O V E +a 4 0A 7 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.725 25.1 168.5 -76.1 115.6 29.9 13.2 17.5 29 30 O V E + 0 0 21 -25,-2.7 43,-2.1 -2,-0.7 2,-0.3 0.659 60.0 19.3-102.6 -16.9 29.2 16.7 18.9 30 31 O A E -ac 5 72A 0 -26,-1.1 -24,-1.9 41,-0.2 2,-0.3 -0.987 53.3-165.0-149.8 153.6 25.4 16.5 19.1 31 32 O V E -ac 6 73A 0 41,-1.9 43,-2.1 -2,-0.3 2,-0.4 -0.974 7.6-160.0-132.8 151.6 22.4 14.2 19.2 32 33 O N E +ac 7 74A 6 -26,-2.2 -24,-3.0 -2,-0.3 -23,-0.5 -0.999 26.5 138.2-126.9 135.0 18.7 14.9 18.7 33 34 O D - 0 0 24 41,-2.4 43,-0.3 -2,-0.4 63,-0.0 -0.767 57.5 -96.7-150.7-159.6 15.8 12.7 19.8 34 35 O L S S+ 0 0 120 -2,-0.2 2,-0.2 41,-0.1 41,-0.1 -0.051 90.2 59.7-119.7 33.5 12.4 13.0 21.4 35 36 O T S S- 0 0 20 39,-0.3 -2,-0.2 1,-0.1 2,-0.1 -0.809 85.3 -71.8-150.1 179.7 13.1 12.3 25.0 36 37 O D > - 0 0 79 -2,-0.2 4,-1.8 1,-0.1 3,-0.3 -0.296 42.6-107.6 -81.1 167.9 15.1 13.5 28.1 37 38 O D H > S+ 0 0 29 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.846 114.3 59.4 -55.8 -44.6 18.9 13.2 28.7 38 39 O D H > S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.880 107.5 47.7 -59.8 -38.9 18.7 10.5 31.3 39 40 O M H > S+ 0 0 1 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.929 111.4 48.9 -66.1 -51.5 17.0 8.2 28.8 40 41 O L H X S+ 0 0 2 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.940 114.4 45.4 -55.5 -51.4 19.5 8.9 26.0 41 42 O A H >X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 3,-1.0 0.953 112.3 51.5 -59.8 -51.9 22.5 8.3 28.4 42 43 O H H 3X S+ 0 0 8 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.866 109.2 49.7 -49.5 -46.5 20.9 5.1 29.8 43 44 O L H 3< S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.625 110.3 50.4 -75.8 -15.6 20.2 3.6 26.4 44 45 O L H << S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.827 113.0 46.2 -82.0 -41.0 23.8 4.2 25.2 45 46 O K H < S+ 0 0 55 -4,-2.2 8,-3.0 -5,-0.2 2,-0.4 0.975 117.4 44.2 -62.8 -52.4 25.3 2.6 28.4 46 47 O Y < + 0 0 28 -4,-2.5 2,-0.4 6,-0.2 6,-0.1 -0.795 63.1 173.9-105.4 130.9 23.0 -0.4 28.3 47 48 O D > - 0 0 3 -2,-0.4 4,-2.3 1,-0.1 -3,-0.0 -0.928 23.0-150.5-141.8 114.0 22.2 -2.4 25.1 48 49 O T T 4 S+ 0 0 17 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.859 96.4 15.6 -46.9 -53.9 20.2 -5.7 25.2 49 50 O M T 4 S+ 0 0 48 2,-0.1 -1,-0.2 1,-0.1 189,-0.1 0.740 129.6 47.9 -99.0 -28.1 21.8 -7.4 22.2 50 51 O Q T 4 S- 0 0 29 1,-0.2 -2,-0.2 234,-0.0 -1,-0.1 0.569 102.9-127.1 -94.6 -10.0 24.9 -5.3 21.6 51 52 O G < - 0 0 32 -4,-2.3 -1,-0.2 2,-0.0 -2,-0.1 -0.101 40.5 -35.1 90.3 173.0 26.2 -5.3 25.2 52 53 O R - 0 0 133 -6,-0.1 2,-0.2 1,-0.1 -6,-0.2 -0.348 62.8-108.7 -72.4 145.2 27.3 -2.6 27.7 53 54 O F - 0 0 19 -8,-3.0 -1,-0.1 -9,-0.1 4,-0.1 -0.558 25.5-143.2 -68.4 137.6 29.1 0.4 26.5 54 55 O T S S+ 0 0 139 -2,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.947 73.0 63.7 -72.5 -52.2 32.7 0.2 27.6 55 56 O G S S- 0 0 15 1,-0.1 2,-0.4 12,-0.0 -2,-0.1 0.185 95.0 -83.2 -65.4-174.0 33.5 3.8 28.5 56 57 O E - 0 0 134 2,-0.0 11,-2.2 0, 0.0 2,-0.4 -0.768 38.3-165.1 -96.0 139.6 32.0 6.1 31.1 57 58 O V E +D 66 0A 10 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.990 10.4 174.8-128.5 125.2 28.7 7.9 30.5 58 59 O E E -D 65 0A 104 7,-2.3 7,-3.3 -2,-0.4 2,-0.3 -0.988 27.2-126.3-133.5 133.8 27.5 10.7 32.6 59 60 O V E +D 64 0A 57 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.626 33.7 164.4 -77.2 132.1 24.5 13.0 32.2 60 61 O V - 0 0 34 3,-2.2 -23,-0.1 -2,-0.3 5,-0.0 -0.622 49.5-100.8-120.9-167.3 25.1 16.8 32.3 61 62 O D S S+ 0 0 156 -2,-0.2 12,-0.2 1,-0.2 -24,-0.1 0.906 119.4 59.9 -88.4 -41.4 22.6 19.5 31.1 62 63 O G S S- 0 0 25 10,-0.1 11,-2.7 1,-0.1 2,-0.2 0.887 133.2 -87.7 -38.7 -38.3 24.1 20.2 27.7 63 64 O G E S- E 0 72A 0 9,-0.3 -3,-2.2 -5,-0.1 2,-0.3 -0.662 76.0 -31.0 158.9-107.2 23.3 16.5 27.3 64 65 O F E -DE 59 71A 0 7,-2.3 7,-2.1 -5,-0.3 2,-0.5 -0.963 42.7-126.7-149.7 164.5 25.8 13.9 28.3 65 66 O R E -DE 58 70A 90 -7,-3.3 -7,-2.3 -2,-0.3 2,-0.6 -0.939 16.8-168.6-118.1 123.9 29.6 13.2 28.7 66 67 O V E > S-DE 57 69A 2 3,-2.8 3,-2.1 -2,-0.5 -9,-0.2 -0.952 77.7 -23.9-119.7 117.0 31.2 10.2 27.2 67 68 O N T 3 S- 0 0 97 -11,-2.2 -1,-0.2 -2,-0.6 -10,-0.1 0.932 128.6 -49.8 44.7 51.1 34.8 9.5 28.4 68 69 O G T 3 S+ 0 0 58 1,-0.2 2,-0.4 -12,-0.1 -1,-0.3 0.138 113.2 120.8 81.2 -21.9 35.1 13.1 29.3 69 70 O K E < - E 0 66A 124 -3,-2.1 -3,-2.8 1,-0.0 -1,-0.2 -0.664 61.0-131.2 -80.2 124.4 33.8 14.4 25.9 70 71 O E E - 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0 0 103 -3,-1.2 2,-0.3 -4,-0.3 -85,-0.2 0.915 35.2-165.5 40.4 60.6 29.5 23.9 12.7 89 90 O I < - 0 0 0 -5,-1.8 25,-0.6 1,-0.2 -1,-0.2 -0.572 15.6-172.4 -72.2 128.8 28.0 20.5 11.9 90 91 O D S S+ 0 0 42 -87,-2.4 25,-1.4 -2,-0.3 24,-1.1 0.926 70.7 9.2 -81.9 -56.5 29.8 18.9 9.0 91 92 O V E -bf 4 115A 3 -88,-2.0 -86,-2.1 23,-0.2 2,-0.5 -0.979 61.5-150.2-132.7 134.1 27.5 15.9 8.5 92 93 O V E -bf 5 116A 0 23,-2.6 25,-2.6 -2,-0.4 2,-0.7 -0.901 12.0-146.9 -95.7 129.8 24.2 14.9 10.0 93 94 O L E -bf 6 117A 0 -88,-2.9 -86,-3.0 -2,-0.5 2,-0.9 -0.883 17.1-150.5 -87.9 114.6 23.5 11.2 10.3 94 95 O E E +bf 7 118A 2 23,-2.5 25,-2.6 -2,-0.7 -86,-0.2 -0.763 36.2 149.8 -96.2 103.6 19.8 11.0 9.7 95 96 O C + 0 0 18 -88,-3.1 -82,-0.3 -2,-0.9 -85,-0.2 0.122 38.2 99.4-122.8 18.0 18.5 8.0 11.6 96 97 O T S S- 0 0 40 -89,-0.4 -88,-0.1 -87,-0.1 -1,-0.1 0.723 79.9-131.3 -74.5 -25.6 14.9 9.0 12.6 97 98 O G S S+ 0 0 49 -3,-0.1 3,-0.3 -89,-0.1 -1,-0.1 0.393 90.8 88.9 78.7 -1.9 13.1 7.0 9.9 98 99 O F S S+ 0 0 132 1,-0.2 -3,-0.0 6,-0.0 -4,-0.0 0.349 78.3 52.5-109.4 5.4 11.2 10.2 9.2 99 100 O Y + 0 0 29 -5,-0.1 2,-1.6 1,-0.1 6,-0.4 -0.066 60.9 138.6-127.5 36.1 13.4 12.0 6.6 100 101 O T + 0 0 52 -3,-0.3 23,-2.0 4,-0.1 2,-0.3 -0.125 52.3 83.4 -82.1 45.7 13.9 9.3 4.0 101 102 O D B > S-i 123 0B 37 -2,-1.6 4,-2.7 21,-0.3 5,-0.3 -0.985 79.6-129.0-146.5 134.0 13.6 11.7 1.1 102 103 O K H > S+ 0 0 47 21,-2.7 4,-0.7 -2,-0.3 22,-0.1 0.876 111.2 46.8 -48.5 -44.7 16.1 14.0 -0.5 103 104 O D H 4 S+ 0 0 126 2,-0.2 3,-0.4 1,-0.1 -1,-0.2 0.918 114.3 45.9 -66.0 -46.2 13.7 17.0 -0.2 104 105 O K H >4 S+ 0 0 124 1,-0.2 3,-2.4 2,-0.2 4,-0.2 0.972 109.6 53.7 -56.7 -56.0 12.8 16.4 3.5 105 106 O A H >X S+ 0 0 0 -4,-2.7 3,-1.5 -6,-0.4 4,-0.6 0.696 88.8 81.4 -54.5 -19.9 16.5 15.7 4.6 106 107 O Q H 3X S+ 0 0 55 -4,-0.7 4,-1.8 -3,-0.4 3,-0.4 0.698 73.4 78.5 -61.6 -17.4 17.3 19.2 3.0 107 108 O A H <> S+ 0 0 13 -3,-2.4 4,-2.0 1,-0.2 -1,-0.3 0.878 86.8 56.2 -59.6 -39.9 15.9 20.6 6.3 108 109 O H H <>>S+ 0 0 0 -3,-1.5 5,-2.2 1,-0.2 4,-0.5 0.861 104.9 52.8 -60.9 -34.8 19.2 19.8 8.0 109 110 O I H ><5S+ 0 0 42 -4,-0.6 3,-1.2 -3,-0.4 -1,-0.2 0.916 107.7 49.9 -70.0 -40.7 21.1 21.8 5.4 110 111 O E H 3<5S+ 0 0 149 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.854 105.7 57.7 -64.4 -35.3 18.8 24.8 6.0 111 112 O A H 3<5S- 0 0 7 -4,-2.0 -26,-2.4 -5,-0.2 -1,-0.3 0.675 132.1 -93.5 -66.9 -18.8 19.5 24.4 9.7 112 113 O G T <<5S+ 0 0 24 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.312 78.8 134.1 126.1 -7.6 23.3 24.8 8.9 113 114 O A < - 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