==== 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 23-DEC-09 3L6O . COMPND 2 MOLECULE: GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS 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) . 45240.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 928 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 178 13.3 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 . 130 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 137 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 259 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 2 2 0 0 2 5 8 2 0 0 1 1 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 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 . 2 4 5 7 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 2 6 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 0 229 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 97.0 40.2 18.1 11.6 2 2 Q A - 0 0 52 25,-0.0 25,-0.2 23,-0.0 2,-0.2 -0.909 360.0-129.5 -87.9 121.1 37.8 16.2 13.7 3 3 Q V E -a 27 0A 22 23,-3.1 25,-2.4 -2,-0.8 2,-0.6 -0.518 22.0-133.1 -62.3 133.3 34.8 15.8 11.5 4 4 Q K E -a 28 0A 85 85,-0.2 88,-1.7 -2,-0.2 87,-1.7 -0.864 23.9-166.5-103.5 117.3 31.8 17.0 13.5 5 5 Q V E -ab 29 92A 0 23,-3.2 25,-2.6 -2,-0.6 26,-1.4 -0.829 11.1-163.6-109.5 134.5 28.7 14.7 13.3 6 6 Q A E -ab 31 93A 0 86,-2.3 88,-3.1 -2,-0.4 2,-0.6 -0.973 12.0-150.4-112.1 136.0 25.1 15.4 14.4 7 7 Q I E -ab 32 94A 0 24,-2.4 26,-3.1 -2,-0.4 2,-0.7 -0.918 4.2-162.0-107.1 119.2 22.8 12.4 14.9 8 8 Q N E S+ab 33 95A 2 86,-2.4 88,-2.4 -2,-0.6 26,-0.2 -0.917 73.4 21.1 -97.0 115.6 19.1 13.0 14.2 9 9 Q G - 0 0 5 24,-3.4 2,-0.6 -2,-0.7 25,-0.2 0.694 68.2-145.6 90.7 105.7 17.1 10.2 15.9 10 10 Q F + 0 0 0 4,-0.2 -1,-0.1 23,-0.1 24,-0.1 -0.305 55.9 123.8-102.8 52.4 18.9 8.3 18.7 11 11 Q G S > S- 0 0 23 -2,-0.6 4,-3.3 85,-0.3 5,-0.4 0.111 83.2 -55.6 -88.9-155.4 17.3 4.9 17.9 12 12 Q R H > S+ 0 0 30 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.912 139.7 35.2 -55.7 -51.0 19.1 1.6 17.2 13 13 Q I H > S+ 0 0 31 2,-0.2 4,-2.8 83,-0.2 -1,-0.2 0.915 118.2 52.8 -70.7 -44.1 21.2 2.9 14.3 14 14 Q G H > S+ 0 0 0 82,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.918 115.0 40.6 -55.2 -51.8 21.6 6.3 15.8 15 15 Q R H X S+ 0 0 0 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.876 116.1 49.9 -68.7 -39.0 22.9 4.9 19.1 16 16 Q L H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.4 -2,-0.2 0.843 109.1 52.2 -66.1 -35.5 25.0 2.2 17.4 17 17 Q A H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.877 106.0 53.9 -68.6 -42.2 26.6 4.9 15.0 18 18 Q F H X S+ 0 0 1 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.913 111.2 48.6 -50.6 -44.0 27.5 7.0 18.1 19 19 Q R H < S+ 0 0 25 -4,-1.5 4,-0.5 2,-0.2 -2,-0.2 0.974 113.1 43.4 -67.8 -57.0 29.2 3.8 19.3 20 20 Q R H >< S+ 0 0 42 -4,-2.7 3,-2.7 2,-0.2 4,-0.4 0.928 109.1 60.1 -41.6 -54.9 31.1 2.9 16.1 21 21 Q I H >< S+ 0 0 0 -4,-3.0 3,-2.7 1,-0.3 6,-0.3 0.922 98.1 56.8 -50.1 -50.2 32.1 6.6 15.7 22 22 Q Q T 3< S+ 0 0 43 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.657 107.2 51.5 -51.1 -20.3 33.9 6.5 19.1 23 23 Q E T < S+ 0 0 147 -3,-2.7 2,-0.4 -4,-0.5 -1,-0.3 0.371 101.2 74.0 -95.8 0.2 36.0 3.6 17.6 24 24 Q V S X S- 0 0 40 -3,-2.7 3,-0.9 -4,-0.4 2,-0.2 -0.974 77.2-129.5-124.5 127.8 37.0 5.5 14.5 25 25 Q E T 3 S+ 0 0 194 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.467 87.3 32.8 -71.6 142.7 39.6 8.3 14.2 26 26 Q G T 3 S+ 0 0 33 -2,-0.2 -23,-3.1 1,-0.2 2,-0.4 0.209 100.7 83.0 101.2 -14.5 38.6 11.5 12.4 27 27 Q L E < +a 3 0A 6 -3,-0.9 2,-0.3 -6,-0.3 -3,-0.2 -0.973 46.7 174.2-129.1 140.1 34.9 11.6 13.4 28 28 Q E E -a 4 0A 58 -25,-2.4 -23,-3.2 -2,-0.4 2,-0.5 -0.982 27.4-132.8-147.6 130.5 33.2 12.9 16.5 29 29 Q V E +a 5 0A 4 -2,-0.3 -23,-0.2 -25,-0.2 3,-0.1 -0.695 27.4 169.7 -81.5 122.9 29.5 13.3 17.4 30 30 Q V E + 0 0 29 -25,-2.6 43,-2.3 -2,-0.5 2,-0.3 0.562 62.1 33.6-111.2 -11.6 28.9 16.7 18.9 31 31 Q A E -ac 6 73A 0 -26,-1.4 -24,-2.4 41,-0.2 2,-0.4 -1.000 53.3-167.7-148.2 147.6 25.1 16.7 18.9 32 32 Q V E -ac 7 74A 0 41,-2.3 43,-2.5 -2,-0.3 2,-0.5 -1.000 7.9-163.1-128.7 129.0 22.1 14.4 19.2 33 33 Q N E +ac 8 75A 7 -26,-3.1 -24,-3.4 -2,-0.4 2,-0.3 -0.968 28.3 137.7-110.3 126.2 18.5 15.2 18.4 34 34 Q D - 0 0 21 41,-2.8 2,-1.4 -2,-0.5 7,-0.1 -0.975 56.9-114.2-158.1 155.9 15.7 13.1 19.8 35 35 Q L S S+ 0 0 130 -2,-0.3 2,-0.3 41,-0.1 41,-0.1 -0.415 86.6 76.9 -90.7 60.5 12.2 13.6 21.3 36 36 Q T S S- 0 0 17 -2,-1.4 -2,-0.2 39,-0.2 491,-0.1 -0.963 86.2 -83.3-158.0 166.8 13.1 12.2 24.8 37 37 Q D > - 0 0 70 -2,-0.3 4,-1.7 1,-0.1 3,-0.2 -0.283 36.4-116.0 -77.1 163.7 14.9 13.3 27.9 38 38 Q D H > S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.756 112.9 62.6 -69.6 -29.8 18.7 13.1 28.4 39 39 Q D H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.912 107.4 46.4 -62.9 -39.1 18.5 10.6 31.2 40 40 Q M H > S+ 0 0 1 2,-0.2 4,-2.5 -3,-0.2 -2,-0.2 0.923 112.0 49.7 -66.6 -45.2 16.8 8.3 28.7 41 41 Q L H X S+ 0 0 1 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.913 112.6 46.1 -59.7 -50.8 19.4 9.0 25.9 42 42 Q A H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.906 113.2 50.8 -56.4 -46.5 22.4 8.4 28.3 43 43 Q H H X S+ 0 0 1 -4,-1.9 4,-3.1 -5,-0.3 -2,-0.2 0.941 111.1 46.6 -60.5 -51.2 20.8 5.2 29.7 44 44 Q L H < S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.776 113.4 49.2 -66.1 -26.0 20.1 3.6 26.2 45 45 Q L H < S+ 0 0 0 -4,-1.6 9,-0.2 -5,-0.2 -1,-0.2 0.922 114.4 47.1 -71.5 -44.6 23.6 4.5 25.0 46 46 Q K H < S+ 0 0 48 -4,-2.4 8,-2.0 -5,-0.2 2,-0.4 0.923 116.6 40.0 -62.7 -51.2 25.0 2.9 28.2 47 47 Q Y < + 0 0 27 -4,-3.1 2,-0.3 6,-0.2 6,-0.1 -0.834 62.9 177.6-111.6 141.6 23.0 -0.3 28.1 48 48 Q D > - 0 0 2 -2,-0.4 4,-1.9 1,-0.1 -4,-0.0 -0.878 23.4-148.4-149.8 112.6 22.2 -2.4 25.1 49 49 Q T T 4 S+ 0 0 16 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.847 96.6 17.6 -44.9 -55.5 20.3 -5.7 25.0 50 50 Q M T 4 S+ 0 0 52 1,-0.1 -1,-0.2 2,-0.1 189,-0.1 0.798 128.3 46.0 -92.7 -33.7 22.0 -7.3 22.0 51 51 Q Q T 4 S- 0 0 32 1,-0.2 -2,-0.2 234,-0.0 -1,-0.1 0.485 100.2-133.6 -90.7 -7.3 25.3 -5.3 21.6 52 52 Q G < - 0 0 22 -4,-1.9 -1,-0.2 2,-0.0 2,-0.2 -0.291 45.1 -23.6 81.4-168.6 26.3 -5.3 25.3 53 53 Q R - 0 0 89 -6,-0.1 2,-0.3 1,-0.1 -6,-0.2 -0.517 60.6-115.1 -87.7 137.8 27.6 -2.4 27.4 54 54 Q F - 0 0 25 -8,-2.0 2,-0.5 -9,-0.2 -1,-0.1 -0.562 28.2-134.3 -64.4 125.5 29.2 0.7 26.1 55 55 Q T S S+ 0 0 127 -2,-0.3 2,-0.2 2,-0.1 -1,-0.0 -0.785 73.3 61.0 -80.1 126.3 32.8 0.8 27.3 56 56 Q G S S- 0 0 36 -2,-0.5 2,-0.4 2,-0.0 -2,-0.1 -0.386 91.9 -81.5 130.3 153.0 33.3 4.3 28.5 57 57 Q E - 0 0 142 -2,-0.2 11,-1.7 2,-0.0 2,-0.5 -0.716 39.2-167.4 -88.3 135.2 31.8 6.5 31.2 58 58 Q V E +D 67 0A 9 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.990 10.0 173.8-123.6 120.5 28.5 8.2 30.3 59 59 Q E E -D 66 0A 73 7,-2.3 7,-4.2 -2,-0.5 2,-0.5 -0.988 31.0-122.5-127.4 142.3 27.1 11.0 32.5 60 60 Q V E +D 65 0A 64 -2,-0.4 5,-0.2 5,-0.3 2,-0.1 -0.685 40.2 161.7 -76.8 119.6 24.1 13.4 32.1 61 61 Q V - 0 0 40 3,-1.7 3,-0.2 -2,-0.5 -23,-0.1 -0.278 48.1 -72.4-115.0-152.1 25.1 17.1 32.2 62 62 Q D S S+ 0 0 150 1,-0.2 -24,-0.1 -2,-0.1 2,-0.1 0.984 118.6 26.7 -76.9 -81.4 23.1 20.2 30.9 63 63 Q G S S- 0 0 27 10,-0.1 11,-4.0 -3,-0.0 2,-0.3 0.222 137.8 -48.4 -69.5 20.8 22.8 20.7 27.1 64 64 Q G E S- E 0 73A 0 9,-0.3 -3,-1.7 -3,-0.2 2,-0.3 -0.966 85.3 -46.3 150.5-136.3 23.2 16.9 26.7 65 65 Q F E -DE 60 72A 0 7,-2.0 7,-3.0 -2,-0.3 2,-0.5 -0.888 37.0-116.6-138.4 163.6 25.6 14.3 28.1 66 66 Q R E -DE 59 71A 107 -7,-4.2 -7,-2.3 -2,-0.3 2,-0.5 -0.921 24.8-178.7-104.0 125.1 29.3 13.6 28.8 67 67 Q V E > S-DE 58 70A 1 3,-2.6 3,-2.9 -2,-0.5 -9,-0.2 -0.989 76.6 -21.6-123.3 119.4 31.1 10.6 27.0 68 68 Q N T 3 S- 0 0 88 -11,-1.7 -1,-0.1 -2,-0.5 3,-0.1 0.800 127.7 -52.4 51.3 33.2 34.8 10.0 27.9 69 69 Q G T 3 S+ 0 0 65 1,-0.3 2,-0.4 -12,-0.3 -1,-0.3 0.384 114.3 121.4 85.5 -4.1 35.0 13.6 29.0 70 70 Q K E < - E 0 67A 77 -3,-2.9 -3,-2.6 1,-0.0 2,-0.4 -0.763 61.8-128.1 -95.6 134.0 33.6 14.9 25.8 71 71 Q E E - E 0 66A 102 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.672 19.3-167.2 -82.0 131.5 30.4 17.0 25.8 72 72 Q V E - 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