==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-OCT-09 3K73 . COMPND 2 MOLECULE: GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR S.MUKHERJEE,D.DUTTA,B.SAHA,A.K.DAS . 1344 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 941 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 180 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 165 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 . 125 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 263 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.3 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 4 0 0 0 0 6 9 1 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 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 3 9 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 1 Q M 0 0 222 0, 0.0 3,-0.1 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 148.6 42.1 17.9 14.9 2 2 Q A - 0 0 22 1,-0.1 2,-0.3 25,-0.1 25,-0.2 0.036 360.0 -87.8 -68.2 166.0 39.5 15.5 13.7 3 3 Q V E -a 27 0A 34 23,-2.6 25,-2.1 1,-0.1 2,-0.7 -0.602 52.2-123.0 -63.7 134.1 36.6 15.7 11.3 4 4 Q K E -a 28 0A 70 85,-0.3 87,-2.5 -2,-0.3 88,-2.0 -0.797 31.9-168.4 -99.4 113.3 33.7 16.9 13.5 5 5 Q V E -ab 29 92A 0 23,-2.9 25,-2.4 -2,-0.7 26,-1.3 -0.814 12.3-166.3-105.0 139.3 30.8 14.6 13.5 6 6 Q A E -ab 31 93A 0 86,-2.4 88,-2.7 -2,-0.4 2,-0.6 -0.985 13.9-146.9-116.1 135.0 27.3 15.1 14.8 7 7 Q I E -ab 32 94A 0 24,-2.6 26,-2.5 -2,-0.4 2,-0.7 -0.918 5.6-158.5-102.2 120.5 25.1 12.2 15.3 8 8 Q N E S+ab 33 95A 2 86,-2.7 88,-3.0 -2,-0.6 26,-0.2 -0.894 76.1 21.9 -95.2 111.9 21.4 12.9 14.7 9 9 Q G - 0 0 3 24,-3.1 2,-1.8 -2,-0.7 5,-0.3 0.759 69.3-145.6 95.9 91.6 19.4 10.1 16.5 10 10 Q F + 0 0 1 23,-0.4 -1,-0.1 4,-0.2 24,-0.1 -0.213 58.7 128.5 -81.6 50.9 21.3 8.4 19.2 11 11 Q G S > S- 0 0 18 -2,-1.8 4,-2.8 85,-0.3 5,-0.3 0.239 79.7 -59.8 -87.1-155.1 19.5 5.2 18.4 12 12 Q R H > S+ 0 0 32 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.982 140.6 33.3 -54.8 -59.4 20.9 1.7 17.7 13 13 Q I H > S+ 0 0 31 2,-0.2 4,-2.8 83,-0.2 5,-0.2 0.913 118.6 54.9 -64.7 -42.8 22.9 2.8 14.7 14 14 Q G H > S+ 0 0 0 82,-0.4 4,-2.2 -5,-0.3 -2,-0.2 0.932 112.3 41.2 -56.2 -50.6 23.7 6.2 16.2 15 15 Q R H X S+ 0 0 1 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.874 115.9 49.1 -68.5 -35.9 25.1 4.9 19.4 16 16 Q L H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.842 109.9 52.2 -73.7 -31.8 27.0 2.1 17.7 17 17 Q A H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.920 108.1 52.5 -65.6 -42.2 28.4 4.6 15.2 18 18 Q F H X S+ 0 0 2 -4,-2.2 4,-1.0 -5,-0.2 -2,-0.2 0.935 112.0 44.7 -55.2 -48.5 29.5 6.6 18.2 19 19 Q R H >< S+ 0 0 26 -4,-2.2 3,-0.6 1,-0.2 4,-0.5 0.908 114.7 48.6 -63.4 -43.5 31.3 3.5 19.7 20 20 Q R H >< S+ 0 0 45 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.887 106.0 56.5 -68.6 -37.9 32.8 2.7 16.4 21 21 Q I H >< S+ 0 0 2 -4,-3.0 3,-1.4 1,-0.3 6,-0.3 0.750 94.3 70.2 -61.8 -23.7 34.0 6.3 15.8 22 22 Q Q T << S+ 0 0 55 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.771 101.6 45.0 -66.0 -26.3 35.9 6.0 19.2 23 23 Q E T < S+ 0 0 138 -3,-1.3 2,-0.5 -4,-0.5 -1,-0.3 0.227 97.3 82.8-107.2 21.0 38.3 3.6 17.5 24 24 Q V S X S- 0 0 40 -3,-1.4 3,-1.1 3,-0.2 -1,-0.1 -0.953 75.2-136.4-124.8 109.2 38.9 5.5 14.3 25 25 Q E T 3 S+ 0 0 195 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.284 85.7 32.3 -67.1 149.8 41.5 8.3 14.5 26 26 Q G T 3 S+ 0 0 40 1,-0.2 -23,-2.6 -24,-0.0 2,-0.4 0.534 100.9 93.6 77.1 8.6 40.7 11.7 12.9 27 27 Q L E < +a 3 0A 3 -3,-1.1 2,-0.4 -6,-0.3 -3,-0.2 -0.996 48.8 174.7-128.0 126.8 37.0 11.3 13.6 28 28 Q E E -a 4 0A 56 -25,-2.1 -23,-2.9 -2,-0.4 2,-0.8 -0.988 28.3-137.3-124.2 140.2 35.3 12.8 16.8 29 29 Q V E +a 5 0A 7 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.849 30.4 166.7 -93.2 116.3 31.7 12.9 17.8 30 30 Q V E + 0 0 33 -25,-2.4 43,-2.9 -2,-0.8 2,-0.3 0.644 60.7 28.5-102.2 -18.0 31.2 16.4 19.2 31 31 Q A E -ac 6 73A 0 -26,-1.3 -24,-2.6 41,-0.2 2,-0.4 -0.999 54.9-169.0-149.3 144.9 27.5 16.6 19.3 32 32 Q V E -ac 7 74A 0 41,-2.6 43,-2.1 -2,-0.3 2,-0.4 -0.996 6.6-165.9-131.6 134.7 24.5 14.3 19.6 33 33 Q N E +ac 8 75A 4 -26,-2.5 -24,-3.1 -2,-0.4 -23,-0.4 -0.985 25.4 133.2-121.2 133.7 20.8 15.1 19.0 34 34 Q D - 0 0 22 41,-2.3 43,-0.2 -2,-0.4 63,-0.0 -0.720 61.4 -94.8-150.7-157.3 17.9 13.0 20.1 35 35 Q L S S+ 0 0 120 -2,-0.2 2,-0.2 41,-0.1 41,-0.1 -0.125 89.7 71.0-121.4 35.6 14.5 13.4 21.9 36 36 Q T S S- 0 0 20 39,-0.3 -2,-0.2 1,-0.1 2,-0.1 -0.804 81.9 -81.7-145.9 177.4 15.5 12.6 25.4 37 37 Q D > - 0 0 80 -2,-0.2 4,-1.7 1,-0.1 -2,-0.1 -0.342 42.8-110.8 -83.2 169.9 17.4 13.6 28.6 38 38 Q D H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.721 113.9 62.1 -76.3 -24.0 21.2 13.1 29.0 39 39 Q D H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.934 105.5 47.4 -67.3 -41.2 20.8 10.5 31.6 40 40 Q M H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.963 112.4 49.0 -60.7 -52.9 19.1 8.3 29.1 41 41 Q L H X S+ 0 0 1 -4,-1.7 4,-1.8 1,-0.2 5,-0.2 0.946 113.5 45.0 -53.0 -55.4 21.7 8.9 26.4 42 42 Q A H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.907 114.0 51.1 -57.8 -42.6 24.7 8.2 28.7 43 43 Q H H X S+ 0 0 9 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.922 109.6 48.7 -61.0 -44.7 22.9 5.1 30.0 44 44 Q L H < S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.751 111.3 50.5 -74.5 -21.8 22.1 3.7 26.6 45 45 Q L H < S+ 0 0 0 -4,-1.8 9,-0.3 -5,-0.3 -1,-0.2 0.921 112.4 47.5 -73.6 -43.1 25.7 4.2 25.5 46 46 Q K H < S+ 0 0 63 -4,-2.4 8,-2.6 -5,-0.2 2,-0.4 0.914 117.2 38.8 -65.9 -45.0 27.0 2.5 28.6 47 47 Q Y < + 0 0 14 -4,-2.5 2,-0.3 6,-0.2 6,-0.1 -0.898 62.0 174.2-115.5 136.3 24.8 -0.6 28.5 48 48 Q D > - 0 0 2 -2,-0.4 4,-1.8 1,-0.1 -4,-0.0 -0.914 24.4-146.4-145.5 114.3 23.8 -2.4 25.3 49 49 Q T T 4 S+ 0 0 14 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.845 97.3 18.7 -47.9 -50.6 21.8 -5.6 25.4 50 50 Q M T 4 S+ 0 0 53 1,-0.1 -1,-0.2 2,-0.1 189,-0.1 0.775 127.9 48.3 -94.8 -29.6 23.3 -7.3 22.3 51 51 Q Q T 4 S- 0 0 28 1,-0.2 -2,-0.2 234,-0.0 -1,-0.1 0.454 102.7-124.4 -98.7 0.2 26.5 -5.3 21.9 52 52 Q G < - 0 0 33 -4,-1.8 -1,-0.2 566,-0.1 -2,-0.1 0.123 43.7 -36.9 83.0 164.0 27.9 -5.4 25.5 53 53 Q R - 0 0 105 -6,-0.1 2,-0.3 566,-0.1 -6,-0.2 -0.311 64.7-109.9 -54.9 133.9 29.0 -2.7 28.1 54 54 Q F - 0 0 24 -8,-2.6 4,-0.1 -9,-0.3 -1,-0.1 -0.586 28.3-143.5 -65.5 127.8 30.8 0.3 26.6 55 55 Q T S S+ 0 0 144 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.905 72.1 63.1 -73.5 -43.7 34.4 -0.1 27.7 56 56 Q G S S- 0 0 23 1,-0.1 2,-0.4 -3,-0.0 -2,-0.0 0.254 95.7 -78.1 -66.0-165.8 35.4 3.5 28.4 57 57 Q E - 0 0 152 2,-0.0 11,-2.5 0, 0.0 2,-0.5 -0.863 37.7-167.5-104.2 133.8 34.0 6.0 31.0 58 58 Q V E +D 67 0A 22 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.973 10.4 174.4-121.7 129.7 30.7 7.8 30.4 59 59 Q E E -D 66 0A 98 7,-2.3 7,-3.2 -2,-0.5 2,-0.4 -0.993 30.5-124.0-137.0 137.7 29.7 10.8 32.6 60 60 Q V E +D 65 0A 61 -2,-0.4 5,-0.3 5,-0.2 2,-0.3 -0.662 38.9 173.0 -77.2 130.6 26.8 13.2 32.5 61 61 Q V E > -D 64 0A 30 3,-2.0 3,-1.7 -2,-0.4 2,-0.3 -0.823 44.2 -67.6-127.5 174.4 27.9 16.8 32.4 62 62 Q D T 3 S+ 0 0 159 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 -0.458 121.6 4.2 -63.0 122.6 26.3 20.2 31.9 63 63 Q G T 3 S- 0 0 37 -2,-0.3 11,-2.3 1,-0.2 2,-0.3 0.498 138.3 -16.8 78.7 3.2 25.0 20.4 28.4 64 64 Q G E < S-DE 61 73A 0 -3,-1.7 -3,-2.0 9,-0.3 2,-0.3 -0.907 84.2 -66.7 175.9-134.9 25.9 16.8 27.4 65 65 Q F E -DE 60 72A 0 7,-1.9 7,-2.8 -2,-0.3 2,-0.5 -0.975 30.9-128.1-146.7 158.0 28.1 13.9 28.5 66 66 Q R E -DE 59 71A 92 -7,-3.2 -7,-2.3 -2,-0.3 2,-0.6 -0.928 15.9-164.6-112.5 125.4 31.8 13.2 28.7 67 67 Q V E > S-DE 58 70A 1 3,-3.1 3,-1.9 -2,-0.5 -9,-0.2 -0.937 76.7 -24.9-114.5 113.9 33.2 10.1 27.1 68 68 Q N T 3 S- 0 0 88 -11,-2.5 -1,-0.2 -2,-0.6 -10,-0.1 0.952 129.6 -46.3 48.9 54.7 36.8 9.2 28.3 69 69 Q G T 3 S+ 0 0 63 1,-0.2 2,-0.5 -12,-0.2 -1,-0.3 0.242 115.5 119.5 77.4 -14.9 37.4 12.8 29.2 70 70 Q K E < - 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