==== 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 16-OCT-09 3K9Q . COMPND 2 MOLECULE: GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR S.MUKHERJEE,D.DUTTA,B.SAHA,A.K.DAS . 1340 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46518.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 927 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 177 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 167 12.5 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 . 117 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 260 19.4 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 4 0 0 0 0 7 9 0 0 0 0 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 1 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 1 11 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 0 238 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-158.0 42.5 18.3 14.5 2 2 Q A - 0 0 24 1,-0.1 2,-0.3 25,-0.1 25,-0.2 0.014 360.0 -90.7 -66.2 165.3 39.8 15.6 13.9 3 3 Q V E -a 27 0A 32 23,-3.6 25,-2.4 88,-0.0 2,-0.6 -0.628 44.8-127.0 -69.1 135.5 36.7 15.6 11.7 4 4 Q K E -a 28 0A 79 -2,-0.3 87,-1.9 85,-0.2 88,-1.8 -0.806 31.1-175.6 -99.1 118.7 33.7 16.9 13.7 5 5 Q V E -ab 29 92A 0 23,-2.6 25,-2.6 -2,-0.6 26,-1.2 -0.893 12.9-165.3-117.9 136.8 30.8 14.6 13.7 6 6 Q A E -ab 31 93A 0 86,-2.2 88,-2.9 -2,-0.4 2,-0.5 -0.982 14.7-144.2-117.8 139.9 27.3 15.0 15.2 7 7 Q I E -ab 32 94A 0 24,-2.1 26,-2.3 -2,-0.4 2,-0.7 -0.898 6.3-157.7-103.9 126.3 25.0 12.1 15.5 8 8 Q N E S+ab 33 95A 3 86,-3.0 88,-3.1 -2,-0.5 26,-0.2 -0.930 75.9 21.6-104.7 117.7 21.3 12.7 15.0 9 9 Q G - 0 0 3 24,-2.7 2,-1.0 -2,-0.7 -1,-0.2 0.796 69.0-147.8 87.5 96.0 19.3 10.0 16.7 10 10 Q F + 0 0 1 23,-0.3 -1,-0.1 4,-0.2 87,-0.1 -0.315 57.8 122.9 -88.7 49.6 21.3 8.3 19.5 11 11 Q G S > S- 0 0 19 -2,-1.0 4,-2.6 85,-0.4 5,-0.4 0.274 83.2 -54.3 -92.3-148.9 19.5 5.0 18.9 12 12 Q R H > S+ 0 0 31 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.962 140.7 34.5 -62.0 -52.4 20.9 1.5 18.0 13 13 Q I H > S+ 0 0 35 83,-0.2 4,-2.3 2,-0.2 5,-0.2 0.927 119.1 53.8 -69.5 -39.5 22.9 2.7 14.9 14 14 Q G H > S+ 0 0 0 82,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.913 111.7 41.1 -62.5 -45.4 23.7 6.1 16.5 15 15 Q R H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.881 116.8 49.0 -73.5 -34.7 25.2 4.8 19.8 16 16 Q L H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.4 -2,-0.2 0.849 109.5 52.1 -73.6 -29.3 27.1 2.0 18.0 17 17 Q A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.917 109.0 52.2 -69.7 -33.8 28.4 4.5 15.5 18 18 Q F H X S+ 0 0 2 -4,-1.8 4,-1.1 -5,-0.2 -2,-0.2 0.948 110.5 46.5 -60.2 -48.1 29.5 6.4 18.6 19 19 Q R H < S+ 0 0 28 -4,-2.4 3,-0.3 1,-0.2 4,-0.3 0.885 113.0 50.2 -60.8 -39.4 31.3 3.3 20.0 20 20 Q R H >< S+ 0 0 47 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.867 104.5 55.2 -75.9 -35.3 32.9 2.6 16.7 21 21 Q I H >< S+ 0 0 3 -4,-2.5 3,-1.6 1,-0.3 6,-0.2 0.762 92.0 74.3 -65.1 -26.1 34.2 6.1 16.2 22 22 Q Q T 3< S+ 0 0 60 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.745 102.6 42.6 -57.0 -20.8 35.9 5.9 19.6 23 23 Q E T < S+ 0 0 128 -3,-1.5 2,-0.4 -4,-0.3 -1,-0.3 -0.005 97.4 81.5-118.6 30.1 38.4 3.5 17.7 24 24 Q V S X S- 0 0 41 -3,-1.6 3,-1.1 3,-0.3 -1,-0.1 -0.946 75.4-135.4-137.2 110.4 38.9 5.4 14.5 25 25 Q E T 3 S+ 0 0 182 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.338 85.2 34.5 -71.9 149.0 41.4 8.3 14.6 26 26 Q G T 3 S+ 0 0 43 1,-0.2 -23,-3.6 -2,-0.1 2,-0.4 0.407 99.0 94.9 85.8 -5.1 40.6 11.6 13.0 27 27 Q L E < +a 3 0A 14 -3,-1.1 2,-0.4 -6,-0.2 -3,-0.3 -0.990 46.7 174.2-118.8 128.2 36.9 11.3 13.9 28 28 Q E E -a 4 0A 72 -25,-2.4 -23,-2.6 -2,-0.4 2,-0.8 -0.999 27.1-140.0-127.6 132.5 35.4 12.8 17.0 29 29 Q V E +a 5 0A 9 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.827 27.9 170.1 -85.2 114.0 31.7 12.9 17.9 30 30 Q V E + 0 0 28 -25,-2.6 43,-2.6 -2,-0.8 2,-0.3 0.662 60.4 25.4-100.0 -17.8 31.3 16.4 19.3 31 31 Q A E -ac 6 73A 0 -26,-1.2 -24,-2.1 41,-0.2 2,-0.3 -0.989 55.9-167.3-146.4 153.1 27.5 16.5 19.5 32 32 Q V E -ac 7 74A 0 41,-2.0 43,-2.0 -2,-0.3 2,-0.4 -0.985 8.4-163.5-139.6 138.8 24.5 14.2 19.8 33 33 Q N E +ac 8 75A 4 -26,-2.3 -24,-2.7 -2,-0.3 -23,-0.3 -0.983 24.4 131.8-128.5 142.4 20.9 15.0 19.4 34 34 Q D - 0 0 19 41,-1.9 43,-0.1 -2,-0.4 63,-0.0 -0.817 60.9 -92.7-161.2-159.7 17.8 13.0 20.4 35 35 Q L S S+ 0 0 124 -2,-0.2 2,-0.2 41,-0.1 41,-0.1 0.082 94.3 64.3-120.5 19.8 14.5 13.4 22.1 36 36 Q T S S- 0 0 24 39,-0.3 2,-0.2 1,-0.1 -2,-0.2 -0.533 82.5 -88.9-128.4-166.3 15.5 12.5 25.7 37 37 Q D > - 0 0 92 -2,-0.2 4,-2.2 1,-0.1 3,-0.1 -0.586 39.1-101.4-105.8 176.5 17.7 13.8 28.5 38 38 Q D H > S+ 0 0 31 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.840 116.3 62.5 -65.3 -39.3 21.3 13.2 29.3 39 39 Q D H > S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.947 109.6 42.2 -49.1 -54.1 20.6 10.7 32.1 40 40 Q M H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.943 114.6 50.0 -62.6 -51.7 18.9 8.4 29.5 41 41 Q L H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.961 111.1 47.5 -52.2 -57.1 21.6 8.9 26.8 42 42 Q A H X S+ 0 0 4 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.901 113.7 51.1 -50.3 -44.7 24.6 8.2 29.1 43 43 Q H H X S+ 0 0 6 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.884 108.6 47.1 -62.2 -47.6 22.8 5.1 30.3 44 44 Q L H < S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.736 112.5 51.9 -72.7 -22.1 22.0 3.6 26.9 45 45 Q L H < S+ 0 0 0 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.904 111.4 47.0 -70.7 -46.0 25.6 4.2 25.9 46 46 Q K H < S+ 0 0 54 -4,-2.1 8,-2.8 -5,-0.2 2,-0.4 0.853 117.8 39.1 -62.5 -39.8 26.9 2.4 29.0 47 47 Q Y < + 0 0 13 -4,-2.1 2,-0.4 6,-0.2 6,-0.2 -0.962 61.4 174.8-126.2 129.3 24.6 -0.6 28.8 48 48 Q D > - 0 0 3 -2,-0.4 4,-1.7 1,-0.1 -3,-0.0 -0.987 23.7-147.6-141.9 119.9 23.7 -2.5 25.7 49 49 Q T T 4 S+ 0 0 15 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.887 96.4 18.8 -57.3 -48.6 21.7 -5.6 25.8 50 50 Q M T 4 S+ 0 0 55 2,-0.1 -1,-0.2 1,-0.1 189,-0.1 0.780 127.6 47.1 -96.1 -31.1 23.2 -7.3 22.7 51 51 Q Q T 4 S- 0 0 30 1,-0.2 -2,-0.2 234,-0.0 -1,-0.1 0.520 104.1-124.4 -95.5 -7.9 26.4 -5.4 22.2 52 52 Q G < - 0 0 32 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.1 -0.058 43.9 -32.0 91.4 168.3 27.7 -5.5 25.8 53 53 Q R - 0 0 105 -6,-0.2 2,-0.3 565,-0.1 -6,-0.2 -0.295 65.7-110.1 -58.9 137.1 28.9 -2.9 28.4 54 54 Q F - 0 0 19 -8,-2.8 -1,-0.1 -9,-0.1 4,-0.1 -0.585 27.6-139.8 -68.2 136.2 30.5 0.2 27.0 55 55 Q T S S+ 0 0 140 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.917 71.9 55.9 -74.3 -47.6 34.2 -0.0 28.0 56 56 Q G S S- 0 0 25 1,-0.1 2,-0.4 12,-0.0 -2,-0.0 0.095 94.3 -78.3 -71.9-168.5 35.1 3.5 29.0 57 57 Q E - 0 0 154 2,-0.0 11,-1.7 0, 0.0 2,-0.4 -0.798 38.2-166.3 -92.1 134.7 33.7 5.9 31.6 58 58 Q V E +D 67 0A 19 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.984 10.2 174.7-124.4 128.7 30.5 7.8 31.0 59 59 Q E E -D 66 0A 99 7,-2.0 7,-2.8 -2,-0.4 2,-0.4 -0.996 32.1-123.0-136.9 131.6 29.4 10.7 33.1 60 60 Q V E +D 65 0A 67 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.612 43.0 169.6 -68.6 123.8 26.5 13.2 32.8 61 61 Q V E > -D 64 0A 31 3,-2.2 3,-1.5 -2,-0.4 2,-0.3 -0.682 44.6 -55.1-121.5-173.9 27.9 16.7 32.8 62 62 Q D T 3 S- 0 0 155 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.464 122.3 -2.2 -67.9 125.7 26.6 20.1 32.1 63 63 Q G T 3 S- 0 0 40 -2,-0.3 11,-2.1 1,-0.2 2,-0.3 0.684 138.6 -19.0 63.2 22.6 24.9 20.3 28.6 64 64 Q G E < S-DE 61 73A 0 -3,-1.5 -3,-2.2 9,-0.3 2,-0.3 -0.980 88.7 -57.3 157.7-134.6 25.8 16.7 27.8 65 65 Q F E -DE 60 72A 0 7,-2.1 7,-2.9 -2,-0.3 2,-0.5 -0.988 29.4-127.0-147.5 157.9 28.1 13.9 28.8 66 66 Q R E -DE 59 71A 106 -7,-2.8 -7,-2.0 -2,-0.3 2,-0.5 -0.902 20.8-171.7-106.4 127.6 31.8 13.1 29.2 67 67 Q V E > S-DE 58 70A 1 3,-2.9 3,-1.8 -2,-0.5 -9,-0.2 -0.969 73.4 -24.0-123.7 117.9 33.3 10.0 27.6 68 68 Q N T 3 S- 0 0 85 -11,-1.7 -1,-0.2 -2,-0.5 -10,-0.1 0.950 129.6 -46.8 45.3 58.1 36.8 9.0 28.4 69 69 Q G T 3 S+ 0 0 66 -12,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.494 115.7 118.9 64.5 6.3 37.6 12.7 29.3 70 70 Q K E < - 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