==== 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 09-JAN-10 3LC2 . COMPND 2 MOLECULE: GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR S.MUKHERJEE,D.DUTTA,B.SAHA,A.K.DAS . 1336 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46052.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 970 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 186 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 164 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 . 144 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 261 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 6 3 0 0 0 6 5 0 3 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 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 4 8 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 O M 0 0 248 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-154.1 43.6 17.4 11.7 2 2 O A - 0 0 35 1,-0.1 25,-0.2 25,-0.1 2,-0.2 0.273 360.0-100.7 -55.1 150.9 40.5 15.0 12.0 3 3 O V E -a 27 0A 24 23,-3.4 25,-2.7 1,-0.1 2,-0.7 -0.464 34.2-130.4 -70.0 130.2 37.3 15.0 10.0 4 4 O K E -a 28 0A 79 85,-0.3 87,-2.5 -2,-0.2 88,-1.7 -0.752 26.8-171.6 -90.3 110.5 34.3 16.6 11.8 5 5 O V E -ab 29 92A 0 23,-3.2 25,-2.8 -2,-0.7 26,-1.2 -0.834 10.2-167.4-103.0 134.9 31.2 14.4 11.9 6 6 O A E -ab 31 93A 0 86,-2.1 88,-2.6 -2,-0.4 2,-0.5 -0.990 14.0-147.0-113.8 130.3 27.7 15.4 13.1 7 7 O I E -ab 32 94A 0 24,-2.6 26,-2.8 -2,-0.4 2,-0.7 -0.865 5.6-159.1 -97.1 124.3 25.1 12.6 13.6 8 8 O N E S+ab 33 95A 3 86,-2.9 88,-3.0 -2,-0.5 26,-0.2 -0.911 72.7 19.7-103.8 114.9 21.5 13.5 12.9 9 9 O G - 0 0 6 24,-3.6 2,-1.0 -2,-0.7 5,-0.4 0.758 68.6-143.7 91.6 97.6 19.1 11.1 14.6 10 10 O F + 0 0 0 4,-0.2 -1,-0.1 23,-0.1 24,-0.1 -0.171 56.6 128.1 -88.0 46.2 20.6 9.2 17.5 11 11 O G S > S- 0 0 26 -2,-1.0 4,-2.4 85,-0.2 5,-0.3 0.235 81.7 -60.3 -78.1-154.1 18.7 6.0 16.8 12 12 O R H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.964 139.0 38.3 -57.0 -54.8 20.1 2.4 16.4 13 13 O I H > S+ 0 0 32 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.955 115.9 52.7 -63.0 -52.6 22.4 3.3 13.5 14 14 O G H > S+ 0 0 0 -5,-0.4 4,-1.6 82,-0.3 -1,-0.2 0.882 113.5 42.4 -46.1 -50.8 23.3 6.8 14.8 15 15 O R H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.873 116.3 48.5 -70.4 -35.9 24.5 5.5 18.2 16 16 O L H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.826 109.1 52.4 -74.2 -32.3 26.2 2.5 16.6 17 17 O A H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.872 108.0 54.1 -67.3 -34.5 28.0 4.8 14.1 18 18 O F H X S+ 0 0 3 -4,-1.6 4,-0.8 -5,-0.3 -2,-0.2 0.946 109.6 45.8 -62.8 -51.3 29.1 6.8 17.1 19 19 O R H >X S+ 0 0 25 -4,-2.2 3,-0.7 1,-0.2 4,-0.6 0.904 114.2 48.4 -52.7 -50.2 30.6 3.7 18.8 20 20 O R H >X S+ 0 0 48 -4,-2.4 3,-1.4 1,-0.2 4,-0.6 0.883 103.5 59.9 -61.2 -43.0 32.3 2.6 15.5 21 21 O I H 3< S+ 0 0 2 -4,-2.5 3,-0.4 1,-0.3 6,-0.2 0.717 94.6 67.7 -60.7 -21.4 33.7 6.1 14.9 22 22 O Q H << S+ 0 0 71 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.858 100.7 46.2 -62.1 -38.5 35.5 5.7 18.3 23 23 O E H << S+ 0 0 137 -3,-1.4 2,-0.5 -4,-0.6 -1,-0.2 0.590 102.3 79.7 -81.3 -9.8 37.7 2.9 16.8 24 24 O V S >< S- 0 0 40 -4,-0.6 3,-0.7 -3,-0.4 2,-0.2 -0.864 72.2-143.3-106.2 124.8 38.5 5.0 13.6 25 25 O E T 3 S+ 0 0 185 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.506 81.5 37.4 -80.2 155.4 41.1 7.7 13.7 26 26 O G T 3 S+ 0 0 24 -2,-0.2 -23,-3.4 1,-0.1 2,-0.4 0.464 99.7 91.9 82.7 3.0 40.6 10.9 11.7 27 27 O L E < +a 3 0A 7 -3,-0.7 2,-0.4 -6,-0.2 -23,-0.2 -0.986 50.1 178.6-130.6 123.1 36.9 11.0 12.5 28 28 O E E -a 4 0A 65 -25,-2.7 -23,-3.2 -2,-0.4 2,-0.8 -0.967 25.4-139.0-116.5 135.3 35.4 12.8 15.5 29 29 O V E +a 5 0A 11 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.848 33.4 162.9 -86.6 115.8 31.7 13.0 16.3 30 30 O V E + 0 0 24 -25,-2.8 43,-2.5 -2,-0.8 2,-0.3 0.684 58.1 35.1-107.1 -20.6 31.4 16.6 17.4 31 31 O A E -ac 6 73A 0 -26,-1.2 -24,-2.6 41,-0.2 2,-0.4 -0.981 53.6-173.4-137.2 148.3 27.6 17.0 17.2 32 32 O V E -ac 7 74A 0 41,-1.9 43,-2.1 -2,-0.3 2,-0.5 -0.985 8.0-166.8-138.9 124.1 24.5 14.9 17.8 33 33 O N E +ac 8 75A 5 -26,-2.8 -24,-3.6 -2,-0.4 2,-0.3 -0.965 24.9 136.6-118.2 125.3 21.0 16.1 16.9 34 34 O D - 0 0 30 41,-2.2 -2,-0.1 -2,-0.5 43,-0.1 -0.960 53.7-122.7-158.4 155.5 17.9 14.2 18.2 35 35 O L S S+ 0 0 113 -2,-0.3 2,-0.1 41,-0.1 41,-0.1 0.570 85.1 86.6 -84.3 -11.0 14.6 15.4 19.6 36 36 O T S S- 0 0 26 1,-0.1 -2,-0.2 2,-0.0 2,-0.1 -0.370 87.3 -91.8 -80.6 167.3 14.9 13.4 22.9 37 37 O D > - 0 0 92 -2,-0.1 4,-1.8 1,-0.1 3,-0.3 -0.398 30.6-112.1 -82.2 161.7 16.7 14.7 26.0 38 38 O D H > S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.746 111.1 58.5 -65.9 -34.7 20.4 14.1 26.9 39 39 O D H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.910 109.8 46.5 -60.5 -45.3 19.9 11.9 29.9 40 40 O M H > S+ 0 0 0 -3,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.901 113.3 49.0 -63.6 -43.7 18.1 9.4 27.7 41 41 O L H X S+ 0 0 1 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.916 111.2 47.1 -64.8 -44.1 20.7 9.7 24.9 42 42 O A H X S+ 0 0 4 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.912 112.8 52.3 -67.4 -37.1 23.7 9.1 27.2 43 43 O H H X S+ 0 0 6 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.922 110.1 46.4 -62.2 -47.6 21.8 6.2 28.8 44 44 O L H < S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.710 112.5 50.9 -70.4 -21.5 21.1 4.6 25.4 45 45 O L H < S+ 0 0 1 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.921 111.7 47.5 -77.1 -45.4 24.7 5.1 24.3 46 46 O K H < S+ 0 0 57 -4,-2.4 8,-3.2 -5,-0.2 2,-0.4 0.892 117.1 43.0 -60.8 -43.3 26.1 3.5 27.5 47 47 O Y < + 0 0 17 -4,-2.3 2,-0.4 6,-0.2 6,-0.2 -0.905 61.1 175.0-117.9 130.9 23.8 0.5 27.4 48 48 O D > - 0 0 3 -2,-0.4 4,-2.0 1,-0.1 -3,-0.0 -0.969 23.4-148.9-138.8 119.4 22.9 -1.7 24.3 49 49 O T T 4 S+ 0 0 16 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.889 98.2 16.8 -52.3 -49.9 20.8 -4.8 24.5 50 50 O M T 4 S+ 0 0 49 2,-0.1 -1,-0.2 1,-0.1 189,-0.1 0.738 128.8 48.7 -96.8 -28.6 22.4 -6.7 21.6 51 51 O Q T 4 S- 0 0 29 1,-0.2 -2,-0.2 234,-0.0 -1,-0.1 0.557 102.0-127.5 -99.2 -3.5 25.6 -4.7 21.1 52 52 O G < - 0 0 30 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.1 -0.033 42.9 -31.1 90.7 170.6 26.8 -4.7 24.8 53 53 O R - 0 0 113 -6,-0.2 2,-0.4 1,-0.1 -6,-0.2 -0.323 68.6-106.2 -63.0 137.4 28.0 -2.0 27.3 54 54 O F - 0 0 18 -8,-3.2 -1,-0.1 1,-0.1 4,-0.1 -0.580 30.1-142.2 -65.6 126.7 29.8 1.0 25.7 55 55 O T S S+ 0 0 133 -2,-0.4 -1,-0.1 2,-0.1 -2,-0.1 0.866 76.0 52.9 -69.7 -42.1 33.4 0.4 26.6 56 56 O G S S- 0 0 27 1,-0.1 2,-0.4 -3,-0.0 11,-0.0 0.553 97.8 -78.5 -66.5-142.5 34.4 4.0 27.3 57 57 O E - 0 0 113 2,-0.0 11,-1.9 0, 0.0 2,-0.4 -0.996 36.5-170.0-131.8 139.3 32.8 6.5 29.7 58 58 O V E +D 67 0A 7 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.996 12.2 162.6-132.9 125.9 29.7 8.6 29.2 59 59 O E E -D 66 0A 81 7,-1.5 7,-2.4 -2,-0.4 2,-0.5 -0.996 38.5-114.8-142.0 143.2 28.4 11.4 31.3 60 60 O V E +D 65 0A 65 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.662 41.9 171.4 -78.5 123.2 25.9 14.3 30.7 61 61 O V E > -D 64 0A 30 3,-1.9 3,-0.7 -2,-0.5 -23,-0.1 -0.537 45.2 -74.9-117.9-170.8 27.6 17.7 30.8 62 62 O D T 3 S+ 0 0 163 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.960 122.5 26.7 -54.5 -82.6 26.4 21.2 30.0 63 63 O G T 3 S- 0 0 30 10,-0.1 11,-2.1 -3,-0.1 2,-0.3 0.329 137.3 -57.0 -68.9 11.8 26.2 21.5 26.2 64 64 O G E < S-DE 61 73A 0 -3,-0.7 -3,-1.9 9,-0.2 2,-0.3 -0.857 87.9 -35.7 153.3-120.7 25.6 17.8 25.7 65 65 O F E -DE 60 72A 1 7,-2.2 7,-3.1 -2,-0.3 2,-0.5 -0.957 36.3-128.3-141.9 164.3 27.9 15.0 26.9 66 66 O R E -DE 59 71A 99 -7,-2.4 -7,-1.5 -2,-0.3 2,-0.5 -0.959 20.2-171.6-111.8 120.9 31.4 13.9 27.5 67 67 O V E > S-DE 58 70A 2 3,-3.1 3,-2.4 -2,-0.5 -9,-0.2 -0.969 75.9 -22.1-118.1 118.8 32.6 10.6 26.0 68 68 O N T 3 S- 0 0 88 -11,-1.9 -1,-0.2 -2,-0.5 3,-0.1 0.906 128.9 -49.2 45.7 53.6 36.1 9.5 27.1 69 69 O G T 3 S+ 0 0 65 1,-0.2 2,-0.4 -12,-0.1 -1,-0.3 0.306 116.4 118.1 71.9 -7.8 37.0 13.1 28.0 70 70 O K E < - 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0 0 96 -4,-1.3 -85,-0.3 -3,-1.0 2,-0.2 0.895 34.0-169.6 69.8 46.9 32.5 23.3 11.0 90 90 O I < - 0 0 0 -5,-1.7 25,-1.3 1,-0.2 -1,-0.2 -0.478 16.9-171.4 -68.7 128.2 30.9 20.0 10.1 91 91 O D S S+ 0 0 42 -87,-2.5 25,-1.4 1,-0.3 2,-0.3 0.831 73.9 8.2 -83.0 -42.0 32.6 18.1 7.3 92 92 O V E -bf 5 116A 1 -88,-1.7 -86,-2.1 23,-0.2 2,-0.6 -0.995 61.5-146.9-144.4 136.8 29.9 15.4 7.0 93 93 O V E -bf 6 117A 0 23,-1.9 25,-2.9 -2,-0.3 2,-0.9 -0.918 12.4-147.5-100.8 125.2 26.5 14.8 8.4 94 94 O L E -bf 7 118A 1 -88,-2.6 -86,-2.9 -2,-0.6 2,-0.9 -0.849 20.5-153.3 -88.1 109.0 25.6 11.2 9.0 95 95 O E E +bf 8 119A 3 23,-2.9 25,-2.3 -2,-0.9 -86,-0.1 -0.769 34.5 149.5 -96.4 103.7 21.9 11.4 8.4 96 96 O C + 0 0 19 -88,-3.0 -82,-0.3 -2,-0.9 -85,-0.2 0.056 37.5 99.2-124.3 23.0 20.0 8.7 10.3 97 97 O T S S- 0 0 44 -89,-0.1 -1,-0.1 1,-0.1 -88,-0.1 0.803 76.6-133.8 -82.3 -30.6 16.5 10.1 11.1 98 98 O G S > S+ 0 0 48 -3,-0.1 3,-0.7 -89,-0.0 -1,-0.1 0.014 89.5 89.7 93.3 -22.5 14.5 8.4 8.3 99 99 O F T 3 S+ 0 0 148 1,-0.2 -3,-0.0 2,-0.0 -4,-0.0 0.368 83.2 46.6 -95.5 6.9 12.9 11.8 7.7 100 100 O Y T 3 + 0 0 33 -5,-0.1 2,-2.2 6,-0.0 6,-0.3 -0.051 64.0 138.3-131.5 31.9 15.4 13.3 5.2 101 101 O T < + 0 0 41 -3,-0.7 23,-1.9 4,-0.1 2,-0.3 -0.178 51.9 87.2 -79.1 48.3 15.8 10.3 2.8 102 102 O D B > S-i 124 0B 32 -2,-2.2 4,-3.3 21,-0.3 5,-0.3 -0.967 79.2-128.9-150.5 131.9 15.7 12.6 -0.3 103 103 O K T 4 S+ 0 0 47 21,-2.9 4,-0.4 -2,-0.3 22,-0.1 0.847 111.7 44.8 -43.7 -44.8 18.4 14.5 -2.1 104 104 O D T 4 S+ 0 0 126 20,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.876 115.7 44.4 -75.1 -39.6 16.4 17.7 -1.9 105 105 O K T >4 S+ 0 0 113 -3,-0.2 3,-1.6 1,-0.2 -2,-0.2 0.890 110.4 55.0 -68.3 -40.4 15.3 17.4 1.7 106 106 O A T >X S+ 0 0 0 -4,-3.3 3,-1.3 1,-0.3 4,-0.5 0.604 87.6 82.5 -68.9 -11.0 18.8 16.4 2.8 107 107 O Q H >> S+ 0 0 50 -4,-0.4 4,-1.8 -3,-0.4 3,-0.6 0.705 71.3 79.8 -65.4 -20.3 20.0 19.6 1.2 108 108 O A H <> S+ 0 0 13 -3,-1.6 4,-2.5 1,-0.2 -1,-0.3 0.799 86.4 56.5 -58.6 -32.8 19.0 21.4 4.4 109 109 O H H <4>S+ 0 0 0 -3,-1.3 5,-2.6 2,-0.2 4,-0.3 0.859 104.9 51.4 -66.4 -36.1 22.2 20.2 6.1 110 110 O I H <<5S+ 0 0 41 -3,-0.6 3,-0.5 -4,-0.5 -2,-0.2 0.874 111.3 47.7 -71.0 -36.2 24.3 21.9 3.4 111 111 O E H <5S+ 0 0 133 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.953 106.2 56.4 -65.1 -53.0 22.3 25.1 3.9 112 112 O A T <5S- 0 0 10 -4,-2.5 -26,-2.4 -5,-0.1 -27,-0.3 0.584 133.8 -91.6 -53.2 -14.4 22.8 24.9 7.7 113 113 O G T 5S+ 0 0 21 -3,-0.5 -3,-0.2 -4,-0.3 2,-0.2 0.518 79.2 133.2 118.3 7.6 26.5 24.8 6.9 114 114 O A < - 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