==== 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 22-NOV-09 3KSD . 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 . 1332 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 928 69.7 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 . 161 12.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 1.1 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 . 130 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 18.8 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 10 0 0 0 0 4 5 4 0 0 0 4 0 4 0 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 6 7 3 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 Q A 0 0 95 0, 0.0 2,-0.5 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 127.1 -12.6 -14.5 15.9 2 3 Q V E -a 26 0A 34 23,-2.9 25,-2.4 1,-0.1 2,-0.7 -0.659 360.0-131.7 -64.3 117.6 -9.3 -14.7 14.0 3 4 Q K E -a 27 0A 81 -2,-0.5 87,-2.7 85,-0.2 88,-1.6 -0.738 29.5-173.7 -90.1 111.5 -6.9 -15.4 16.9 4 5 Q V E -ab 28 91A 0 23,-3.9 25,-2.8 -2,-0.7 26,-1.1 -0.850 12.5-165.4-106.1 140.7 -3.9 -13.0 16.8 5 6 Q A E -ab 30 92A 0 86,-1.9 88,-2.7 -2,-0.3 2,-0.5 -0.922 13.0-145.3-119.0 144.9 -0.8 -13.0 18.9 6 7 Q I E -ab 31 93A 0 24,-2.4 26,-2.3 -2,-0.4 2,-0.7 -0.956 6.2-160.7-112.1 118.3 1.6 -10.0 19.0 7 8 Q N E S+ab 32 94A 2 86,-3.1 88,-3.2 -2,-0.5 26,-0.2 -0.881 76.3 25.9-100.3 118.7 5.3 -10.7 19.4 8 9 Q G S S- 0 0 3 24,-3.1 2,-1.2 -2,-0.7 5,-0.2 0.749 70.0-148.9 92.5 90.6 6.9 -7.6 20.6 9 10 Q F + 0 0 1 23,-0.5 -1,-0.1 4,-0.2 24,-0.1 -0.296 56.5 124.7 -88.8 54.3 4.6 -5.4 22.6 10 11 Q G S > S- 0 0 21 -2,-1.2 4,-2.4 85,-0.3 5,-0.4 0.220 83.0 -57.2 -88.6-152.1 6.4 -2.2 21.4 11 12 Q R H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.975 141.0 35.6 -56.1 -56.5 5.2 1.0 19.7 12 13 Q I H > S+ 0 0 32 83,-0.2 4,-2.4 2,-0.2 5,-0.2 0.898 118.4 51.2 -67.1 -40.4 3.9 -1.1 16.7 13 14 Q G H > S+ 0 0 0 82,-0.3 4,-2.4 -5,-0.2 -2,-0.2 0.939 113.1 44.0 -63.6 -46.6 2.7 -4.1 18.8 14 15 Q R H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.920 115.1 47.7 -70.7 -38.5 0.7 -2.0 21.3 15 16 Q L H X S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.4 -1,-0.2 0.854 109.7 52.9 -67.8 -37.0 -0.9 0.2 18.6 16 17 Q A H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.925 108.5 52.7 -60.8 -38.7 -1.8 -2.9 16.5 17 18 Q F H X S+ 0 0 2 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.978 111.6 43.7 -60.5 -54.6 -3.4 -4.1 19.7 18 19 Q R H < S+ 0 0 27 -4,-2.6 4,-0.5 1,-0.2 3,-0.3 0.885 114.8 50.3 -53.3 -43.2 -5.4 -0.8 20.1 19 20 Q R H >< S+ 0 0 44 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.925 105.3 55.8 -64.0 -44.8 -6.2 -0.9 16.4 20 21 Q I H >< S+ 0 0 1 -4,-3.1 3,-1.1 1,-0.3 6,-0.3 0.749 98.2 63.7 -59.0 -26.1 -7.5 -4.6 16.5 21 22 Q Q T 3< S+ 0 0 66 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.735 103.1 49.3 -69.6 -23.1 -10.0 -3.5 19.3 22 23 Q E T < S+ 0 0 137 -3,-1.6 2,-0.6 -4,-0.5 -1,-0.3 0.339 99.7 77.6 -93.9 -1.7 -11.6 -1.3 16.7 23 24 Q V S X S- 0 0 38 -3,-1.1 3,-1.4 3,-0.2 -1,-0.1 -0.935 79.1-134.2-120.2 107.0 -11.8 -4.1 14.1 24 25 Q E T 3 S+ 0 0 193 -2,-0.6 3,-0.1 1,-0.2 -2,-0.1 -0.225 87.2 22.4 -53.5 142.5 -14.5 -6.8 14.5 25 26 Q G T 3 S+ 0 0 38 1,-0.2 -23,-2.9 -24,-0.0 2,-0.5 0.361 98.3 105.0 77.8 -7.3 -13.6 -10.4 14.2 26 27 Q L E < +a 2 0A 10 -3,-1.4 2,-0.4 -6,-0.3 -1,-0.2 -0.940 49.3 179.6-102.4 127.9 -9.9 -9.7 14.9 27 28 Q E E -a 3 0A 63 -25,-2.4 -23,-3.9 -2,-0.5 2,-0.7 -0.994 26.6-145.3-133.8 131.0 -8.8 -10.8 18.4 28 29 Q V E +a 4 0A 6 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.835 25.3 167.0 -87.7 115.7 -5.5 -10.6 20.3 29 30 Q V E + 0 0 34 -25,-2.8 43,-2.4 -2,-0.7 2,-0.3 0.614 62.0 25.0 -99.9 -18.5 -5.3 -13.7 22.5 30 31 Q A E -ac 5 72A 0 -26,-1.1 -24,-2.4 41,-0.2 2,-0.4 -0.999 54.4-166.1-156.4 150.0 -1.6 -13.4 23.4 31 32 Q V E -ac 6 73A 0 41,-2.6 43,-1.7 -2,-0.3 2,-0.4 -0.993 7.3-163.4-140.1 140.7 1.3 -11.1 23.7 32 33 Q N E +ac 7 74A 5 -26,-2.3 -24,-3.1 -2,-0.4 -23,-0.5 -0.986 27.2 124.8-131.7 136.8 5.0 -11.7 24.1 33 34 Q D - 0 0 20 41,-1.7 63,-0.0 -2,-0.4 -23,-0.0 -0.704 62.3 -90.4-159.8-150.2 7.8 -9.4 25.3 34 35 Q L S S+ 0 0 126 -2,-0.2 2,-0.2 41,-0.1 41,-0.1 -0.174 91.4 58.8-134.3 38.1 10.6 -9.2 27.8 35 36 Q T S S- 0 0 21 39,-0.3 -2,-0.2 1156,-0.0 2,-0.1 -0.829 86.1 -69.1-155.3-178.5 9.0 -7.7 30.9 36 37 Q D > - 0 0 91 -2,-0.2 4,-1.9 1,-0.1 3,-0.3 -0.405 40.1-109.5 -91.1 167.2 6.1 -8.2 33.4 37 38 Q D H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.757 116.5 58.9 -59.4 -33.6 2.3 -7.9 32.9 38 39 Q D H > S+ 0 0 64 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 107.8 44.8 -65.7 -43.3 2.2 -4.7 35.0 39 40 Q M H > S+ 0 0 0 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.884 115.7 47.9 -71.3 -35.5 4.6 -2.9 32.6 40 41 Q L H X S+ 0 0 1 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.968 113.0 46.4 -70.2 -54.7 2.7 -4.3 29.5 41 42 Q A H X S+ 0 0 4 -4,-2.7 4,-1.8 1,-0.2 3,-0.3 0.896 112.3 53.2 -45.5 -48.3 -0.7 -3.3 30.8 42 43 Q H H X S+ 0 0 5 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.883 108.9 47.3 -60.8 -40.1 0.7 0.1 31.8 43 44 Q L H < S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.696 109.6 53.2 -81.6 -18.9 2.1 0.9 28.4 44 45 Q L H < S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.845 113.3 44.8 -70.3 -39.8 -1.1 -0.1 26.6 45 46 Q K H < S+ 0 0 45 -4,-1.8 8,-2.3 -5,-0.2 2,-0.4 0.837 117.8 42.8 -74.0 -36.0 -3.1 2.2 28.9 46 47 Q Y < + 0 0 26 -4,-1.8 2,-0.4 6,-0.2 6,-0.2 -0.953 61.9 172.3-124.8 128.7 -0.8 5.2 28.6 47 48 Q D > - 0 0 1 -2,-0.4 4,-1.7 1,-0.1 -3,-0.0 -0.964 26.9-145.9-144.0 117.5 0.8 6.4 25.5 48 49 Q T T 4 S+ 0 0 13 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.886 97.4 17.0 -53.1 -51.3 2.8 9.6 25.2 49 50 Q M T 4 S+ 0 0 48 2,-0.1 -1,-0.2 188,-0.1 189,-0.1 0.725 127.8 48.0 -91.8 -29.5 1.8 10.5 21.5 50 51 Q Q T 4 S- 0 0 30 1,-0.2 -2,-0.2 234,-0.0 -1,-0.1 0.545 102.5-130.2 -98.1 -8.3 -1.3 8.3 20.8 51 52 Q G < - 0 0 30 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.1 -0.123 41.8 -28.8 92.3 173.4 -3.2 9.1 24.0 52 53 Q R - 0 0 106 -6,-0.2 2,-0.4 897,-0.1 -6,-0.2 -0.378 62.6-113.8 -62.6 137.5 -5.0 7.2 26.7 53 54 Q F - 0 0 22 -8,-2.3 4,-0.1 1,-0.1 -1,-0.1 -0.673 22.6-147.0 -68.2 125.1 -6.5 3.8 25.8 54 55 Q T S S+ 0 0 138 -2,-0.4 -1,-0.1 2,-0.1 -9,-0.0 0.860 71.3 80.0 -67.7 -37.1 -10.3 4.1 26.2 55 56 Q G S S- 0 0 10 1,-0.1 2,-0.5 -3,-0.0 -2,-0.1 -0.057 90.5 -96.4 -67.5 171.3 -10.9 0.6 27.3 56 57 Q E - 0 0 142 2,-0.0 11,-2.3 0, 0.0 2,-0.5 -0.808 37.3-167.7 -93.5 125.5 -10.4 -0.8 30.8 57 58 Q V E +D 66 0A 13 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.954 9.4 173.3-115.4 129.4 -7.2 -2.6 31.5 58 59 Q E E -D 65 0A 104 7,-2.2 7,-3.3 -2,-0.5 2,-0.3 -1.000 28.2-123.8-136.5 136.7 -6.6 -4.7 34.6 59 60 Q V E +D 64 0A 64 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.604 34.0 163.6 -81.7 131.1 -3.6 -6.9 35.4 60 61 Q V - 0 0 28 3,-2.0 -23,-0.1 -2,-0.3 5,-0.0 -0.513 46.9-103.7-120.8-161.3 -4.1 -10.6 36.1 61 62 Q D S S+ 0 0 144 -2,-0.2 12,-0.1 1,-0.1 -24,-0.1 0.853 116.9 57.7-104.6 -42.6 -1.4 -13.3 36.1 62 63 Q G S S- 0 0 37 10,-0.1 11,-2.7 1,-0.1 2,-0.2 0.855 135.2 -81.5 -37.3 -37.2 -2.0 -15.2 32.9 63 64 Q G E S- E 0 72A 0 9,-0.3 -3,-2.0 -33,-0.1 2,-0.3 -0.671 73.4 -41.4 162.9-113.7 -1.5 -11.6 31.6 64 65 Q F E -DE 59 71A 0 7,-2.1 7,-2.9 -5,-0.3 2,-0.4 -0.981 41.0-125.7-146.6 162.0 -4.1 -8.8 31.6 65 66 Q R E -DE 58 70A 92 -7,-3.3 -7,-2.2 -2,-0.3 2,-0.5 -0.901 14.2-166.5-109.8 141.4 -7.8 -8.2 30.8 66 67 Q V E > S-DE 57 69A 2 3,-2.8 3,-2.0 -2,-0.4 -9,-0.2 -0.982 80.8 -20.0-126.1 115.4 -9.1 -5.6 28.4 67 68 Q N T 3 S- 0 0 94 -11,-2.3 -1,-0.1 -2,-0.5 -10,-0.1 0.930 128.9 -51.9 48.9 50.3 -12.8 -5.0 28.7 68 69 Q G T 3 S+ 0 0 55 -12,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.251 113.3 121.7 74.8 -13.5 -13.2 -8.3 30.5 69 70 Q K E < - E 0 66A 124 -3,-2.0 -3,-2.8 1,-0.0 2,-0.3 -0.723 61.5-130.5 -86.3 127.8 -11.4 -10.2 27.7 70 71 Q E E - E 0 65A 89 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.616 18.8-166.3 -85.5 132.2 -8.3 -12.1 28.9 71 72 Q V E - E 0 64A 4 -7,-2.9 -7,-2.1 -2,-0.3 2,-0.3 -0.981 16.0-138.4-119.0 120.1 -4.9 -11.6 27.1 72 73 Q K E -cE 30 63A 74 -43,-2.4 -41,-2.6 -2,-0.5 2,-0.3 -0.628 19.7-158.3 -80.1 138.4 -2.2 -14.1 27.9 73 74 Q S E -c 31 0A 14 -11,-2.7 2,-0.3 -2,-0.3 -41,-0.2 -0.841 9.5-173.5-118.1 151.6 1.2 -12.6 28.2 74 75 Q F E -c 32 0A 53 -43,-1.7 -41,-1.7 -2,-0.3 -39,-0.3 -0.896 24.3-151.4-140.4 168.5 4.6 -14.3 27.8 75 76 Q S + 0 0 69 -2,-0.3 -41,-0.1 -43,-0.2 -43,-0.1 -0.315 43.9 139.4-137.3 47.9 8.3 -13.5 28.3 76 77 Q E - 0 0 73 1,-0.1 6,-0.1 3,-0.0 5,-0.1 -0.823 32.7-169.6-103.6 105.6 10.0 -15.8 25.8 77 78 Q P S S+ 0 0 89 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.744 79.4 64.8 -66.8 -17.8 12.9 -14.2 23.9 78 79 Q D S > S- 0 0 63 1,-0.1 3,-1.9 29,-0.0 4,-0.2 -0.921 73.6-156.3-111.2 114.6 13.0 -17.2 21.6 79 80 Q A G > S+ 0 0 0 -2,-0.6 3,-1.4 1,-0.3 -1,-0.1 0.701 86.2 68.1 -69.0 -28.9 9.9 -17.5 19.5 80 81 Q S G 3 S+ 0 0 35 1,-0.2 -1,-0.3 30,-0.1 4,-0.1 0.692 96.9 58.2 -57.7 -21.8 10.1 -21.2 18.8 81 82 Q K G < S+ 0 0 137 -3,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.531 79.4 114.4 -89.6 -6.1 9.4 -21.8 22.5 82 83 Q L S < S- 0 0 4 -3,-1.4 2,-2.1 -4,-0.2 3,-0.4 -0.329 74.8-122.4 -74.2 144.5 6.1 -19.9 22.5 83 84 Q P >> + 0 0 34 0, 0.0 4,-1.1 0, 0.0 3,-0.5 -0.184 60.4 140.2 -84.5 54.0 3.0 -22.0 23.2 84 85 Q W H 3>> + 0 0 0 -2,-2.1 5,-1.7 27,-0.4 4,-0.9 0.824 68.5 56.5 -67.0 -29.9 1.2 -21.1 20.0 85 86 Q K H 345S+ 0 0 143 26,-1.7 -1,-0.3 -3,-0.4 3,-0.2 0.854 105.6 51.6 -65.3 -36.3 -0.1 -24.6 19.5 86 87 Q D H <45S+ 0 0 108 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.746 116.5 39.3 -73.4 -22.8 -1.8 -24.5 22.9 87 88 Q L H <5S- 0 0 35 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.460 103.9-127.0-106.8 -5.1 -3.5 -21.2 22.1 88 89 Q N T <5 - 0 0 85 -4,-0.9 2,-0.2 -3,-0.2 -85,-0.2 0.934 31.9-162.5 56.4 53.4 -4.3 -22.0 18.5 89 90 Q I < - 0 0 0 -5,-1.7 25,-1.1 1,-0.2 -1,-0.2 -0.486 18.0-174.0 -69.9 129.5 -2.8 -18.8 17.0 90 91 Q D S S+ 0 0 40 -87,-2.7 25,-0.9 1,-0.3 2,-0.4 0.846 72.2 9.5 -85.1 -48.6 -3.9 -18.0 13.5 91 92 Q V E -bf 4 115A 3 -88,-1.6 -86,-1.9 23,-0.2 2,-0.5 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