==== 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 21-DEC-09 3L4S . 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) . 46367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 941 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 182 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 170 12.7 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 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 148 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 248 18.6 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 8 8 0 0 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 1 11 4 0 4 1 3 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 0 233 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.2 8.2 18.2 12.1 2 2 Q A - 0 0 29 1,-0.1 2,-0.3 25,-0.1 25,-0.3 -0.160 360.0 -99.4 -52.5 144.9 5.5 15.4 12.5 3 3 Q V E -a 27 0A 27 23,-4.5 25,-2.6 1,-0.1 2,-0.6 -0.544 37.6-128.6 -69.5 128.7 2.3 15.5 10.4 4 4 Q K E -a 28 0A 77 -2,-0.3 87,-2.4 85,-0.3 88,-1.6 -0.732 29.1-169.4 -89.1 118.5 -0.5 17.0 12.5 5 5 Q V E -ab 29 92A 0 23,-3.3 25,-2.0 -2,-0.6 26,-1.2 -0.831 14.0-163.1-111.8 138.5 -3.6 14.8 12.5 6 6 Q A E -ab 31 93A 0 86,-2.1 88,-2.7 -2,-0.4 2,-0.7 -0.967 13.5-147.2-110.0 141.4 -7.2 15.4 13.7 7 7 Q I E -ab 32 94A 0 24,-2.3 26,-2.6 -2,-0.4 2,-0.7 -0.917 7.3-161.5-109.7 112.6 -9.5 12.5 14.3 8 8 Q N E S+ab 33 95A 2 86,-2.7 88,-3.0 -2,-0.7 89,-0.2 -0.865 74.6 20.7 -94.0 117.9 -13.1 13.3 13.5 9 9 Q G - 0 0 4 24,-3.0 2,-1.5 -2,-0.7 5,-0.3 0.862 69.5-147.9 84.7 98.5 -15.2 10.7 15.2 10 10 Q F + 0 0 1 23,-0.3 -1,-0.1 4,-0.2 24,-0.1 -0.344 55.5 124.8 -90.3 52.5 -13.4 8.8 18.1 11 11 Q G S > S- 0 0 21 -2,-1.5 4,-2.5 85,-0.2 5,-0.4 0.128 82.1 -54.0 -95.6-149.6 -15.3 5.6 17.5 12 12 Q R H > S+ 0 0 33 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.963 141.1 32.5 -54.6 -53.3 -14.0 2.0 16.9 13 13 Q I H > S+ 0 0 33 83,-0.2 4,-2.4 2,-0.2 5,-0.2 0.911 118.7 53.5 -71.2 -46.8 -11.9 3.1 13.9 14 14 Q G H > S+ 0 0 1 82,-0.3 4,-1.8 -5,-0.3 -4,-0.2 0.934 113.6 42.0 -56.5 -49.2 -11.0 6.6 15.2 15 15 Q R H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.930 115.5 47.8 -62.5 -47.7 -9.7 5.3 18.6 16 16 Q L H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.4 -1,-0.2 0.805 109.9 54.6 -68.4 -27.7 -7.8 2.3 17.1 17 17 Q A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.871 107.8 51.5 -63.7 -40.6 -6.3 4.8 14.5 18 18 Q F H X S+ 0 0 3 -4,-1.8 4,-1.2 -5,-0.2 -2,-0.2 0.987 109.9 46.0 -59.5 -55.4 -5.2 6.7 17.5 19 19 Q R H >< S+ 0 0 28 -4,-2.7 3,-0.9 1,-0.2 4,-0.4 0.926 115.1 49.8 -52.3 -42.3 -3.6 3.6 19.2 20 20 Q R H >< S+ 0 0 53 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.863 102.5 58.5 -69.6 -39.1 -2.0 2.8 15.8 21 21 Q I H >< S+ 0 0 3 -4,-2.7 3,-1.4 1,-0.3 -1,-0.3 0.701 92.9 69.5 -61.7 -21.4 -0.6 6.3 15.3 22 22 Q Q T << S+ 0 0 70 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.772 99.2 50.5 -65.2 -23.9 1.3 5.9 18.6 23 23 Q E T < S+ 0 0 147 -3,-1.5 2,-0.4 -4,-0.4 -1,-0.3 0.155 97.5 85.7-101.3 17.0 3.5 3.4 16.7 24 24 Q V S X S- 0 0 38 -3,-1.4 3,-1.2 3,-0.2 2,-0.1 -0.965 72.6-131.2-128.6 123.2 4.2 5.7 13.7 25 25 Q E T 3 S+ 0 0 180 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.404 87.1 15.1 -70.9 141.3 7.0 8.2 13.4 26 26 Q G T 3 S+ 0 0 23 1,-0.2 -23,-4.5 -2,-0.1 2,-0.4 0.566 99.9 101.8 74.7 6.6 6.1 11.8 12.2 27 27 Q L E < +a 3 0A 14 -3,-1.2 2,-0.4 -25,-0.3 -1,-0.2 -0.992 47.0 178.0-110.4 137.2 2.4 11.4 12.7 28 28 Q E E -a 4 0A 74 -25,-2.6 -23,-3.3 -2,-0.4 2,-0.9 -0.992 26.9-139.6-138.0 127.5 0.9 13.0 15.8 29 29 Q V E +a 5 0A 8 -2,-0.4 -23,-0.2 -25,-0.2 -25,-0.1 -0.766 29.9 166.1 -83.3 104.8 -2.8 13.2 16.8 30 30 Q V E + 0 0 24 -25,-2.0 43,-2.4 -2,-0.9 2,-0.3 0.657 60.9 27.3 -92.8 -18.2 -3.2 16.8 18.2 31 31 Q A E -ac 6 73A 0 -26,-1.2 -24,-2.3 41,-0.2 2,-0.4 -0.994 54.0-168.1-148.3 154.3 -7.0 16.9 18.2 32 32 Q V E -ac 7 74A 0 41,-2.6 43,-1.9 -2,-0.3 2,-0.4 -0.998 6.7-166.1-143.4 130.4 -10.1 14.7 18.5 33 33 Q N E +ac 8 75A 5 -26,-2.6 -24,-3.0 -2,-0.4 -23,-0.3 -0.980 25.8 131.8-119.4 135.0 -13.7 15.6 17.9 34 34 Q D - 0 0 21 41,-2.2 63,-0.0 -2,-0.4 -2,-0.0 -0.727 60.6 -94.7-151.9-156.8 -16.8 13.5 18.9 35 35 Q L S S+ 0 0 120 -2,-0.2 2,-0.2 41,-0.1 41,-0.1 -0.139 91.2 64.8-124.6 39.5 -20.2 14.1 20.7 36 36 Q T S S- 0 0 22 39,-0.3 -2,-0.2 1,-0.0 2,-0.1 -0.793 84.5 -77.2-146.6-177.8 -19.4 13.2 24.2 37 37 Q D > - 0 0 87 -2,-0.2 4,-2.3 1,-0.1 3,-0.2 -0.457 40.1-106.7 -85.9 167.1 -17.3 14.4 27.2 38 38 Q D H > S+ 0 0 35 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.823 117.8 58.4 -52.5 -42.3 -13.5 14.0 27.9 39 39 Q D H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 108.4 44.6 -57.8 -45.9 -14.2 11.4 30.5 40 40 Q M H > S+ 0 0 0 2,-0.2 4,-2.0 -3,-0.2 -2,-0.2 0.955 115.6 47.4 -66.2 -50.3 -16.0 9.2 28.1 41 41 Q L H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 3,-0.4 0.956 114.5 46.2 -50.9 -60.1 -13.3 9.7 25.3 42 42 Q A H X S+ 0 0 7 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.884 112.7 51.5 -49.6 -44.5 -10.4 9.0 27.7 43 43 Q H H X S+ 0 0 12 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.848 109.9 47.9 -68.1 -35.3 -12.2 6.0 29.2 44 44 Q L H < S+ 0 0 2 -4,-2.0 -1,-0.2 -3,-0.4 -2,-0.2 0.797 108.6 53.2 -84.9 -27.3 -12.9 4.4 25.8 45 45 Q L H < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.919 112.5 47.0 -58.9 -46.8 -9.3 4.9 24.6 46 46 Q K H < S+ 0 0 62 -4,-1.8 8,-2.5 -5,-0.2 2,-0.4 0.825 115.3 41.5 -68.8 -39.9 -8.1 3.1 27.7 47 47 Q Y < + 0 0 11 -4,-1.7 2,-0.4 6,-0.2 6,-0.1 -0.953 61.1 177.1-119.0 135.3 -10.4 0.1 27.7 48 48 Q D > - 0 0 2 -2,-0.4 4,-1.4 1,-0.2 -3,-0.0 -0.967 24.3-147.7-146.1 120.4 -11.4 -1.9 24.7 49 49 Q T T 4 S+ 0 0 14 -2,-0.4 -1,-0.2 1,-0.2 4,-0.1 0.921 98.1 14.2 -54.5 -51.1 -13.6 -5.0 24.8 50 50 Q M T 4 S+ 0 0 48 1,-0.1 -1,-0.2 2,-0.1 189,-0.1 0.744 127.8 50.7-101.6 -28.7 -11.9 -6.8 21.9 51 51 Q Q T 4 S- 0 0 28 1,-0.2 -2,-0.2 234,-0.0 -1,-0.1 0.533 103.3-125.1 -93.4 -2.3 -8.6 -4.9 21.3 52 52 Q G < - 0 0 32 -4,-1.4 -1,-0.2 2,-0.1 -2,-0.1 -0.031 43.4 -36.0 84.5 167.0 -7.4 -5.0 25.0 53 53 Q R - 0 0 106 -6,-0.1 2,-0.4 1,-0.1 -6,-0.2 -0.287 66.8-106.3 -63.4 146.2 -6.3 -2.3 27.4 54 54 Q F - 0 0 18 -8,-2.5 -1,-0.1 1,-0.1 4,-0.1 -0.625 28.5-138.6 -76.3 132.9 -4.4 0.7 26.0 55 55 Q T S S+ 0 0 145 -2,-0.4 -1,-0.1 2,-0.1 -2,-0.0 0.930 74.9 55.0 -68.6 -50.1 -0.8 0.3 27.0 56 56 Q G S S- 0 0 26 1,-0.1 2,-0.5 -3,-0.0 -2,-0.1 0.343 95.4 -77.1 -66.6-160.2 0.2 3.8 28.0 57 57 Q E - 0 0 131 2,-0.0 11,-2.2 0, 0.0 2,-0.5 -0.909 37.5-168.0-112.4 133.5 -1.3 6.3 30.4 58 58 Q V E +D 67 0A 12 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.962 10.1 171.1-120.6 125.7 -4.5 8.3 29.8 59 59 Q E E -D 66 0A 80 7,-2.2 7,-2.7 -2,-0.5 2,-0.3 -0.997 32.8-121.1-137.2 137.0 -5.6 11.2 32.0 60 60 Q V E +D 65 0A 69 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.583 41.3 166.7 -71.0 127.8 -8.4 13.8 31.6 61 61 Q V E > -D 64 0A 28 3,-1.9 3,-0.7 -2,-0.3 -23,-0.1 -0.735 48.3 -77.8-128.4-177.5 -7.1 17.4 31.6 62 62 Q D T 3 S+ 0 0 165 -2,-0.2 -24,-0.1 1,-0.2 -1,-0.1 0.953 123.4 33.6 -49.9 -72.6 -8.5 20.8 30.7 63 63 Q G T 3 S- 0 0 35 10,-0.1 11,-2.6 -3,-0.1 -1,-0.2 0.543 134.6 -68.3 -67.0 -3.7 -8.5 20.9 26.8 64 64 Q G E < S-DE 61 73A 0 -3,-0.7 -3,-1.9 9,-0.2 2,-0.3 -0.703 85.9 -25.6 156.1-105.3 -9.1 17.2 26.6 65 65 Q F E -DE 60 72A 0 7,-2.4 7,-3.8 -5,-0.3 2,-0.5 -0.996 38.8-131.4-153.3 152.9 -6.7 14.5 27.6 66 66 Q R E -DE 59 71A 93 -7,-2.7 -7,-2.2 -2,-0.3 2,-0.5 -0.918 18.9-170.8-104.5 123.8 -3.0 13.6 28.1 67 67 Q V E > S-DE 58 70A 1 3,-2.9 3,-1.9 -2,-0.5 -9,-0.2 -0.978 77.7 -23.1-120.6 114.4 -1.7 10.4 26.5 68 68 Q N T 3 S- 0 0 90 -11,-2.2 -1,-0.2 -2,-0.5 -10,-0.1 0.897 127.8 -49.9 46.4 52.6 1.8 9.6 27.7 69 69 Q G T 3 S+ 0 0 62 -12,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.213 115.6 115.6 77.2 -16.8 2.5 13.2 28.5 70 70 Q K E < - 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