==== 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 09-DEC-09 3L0D . COMPND 2 MOLECULE: GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BARTONELLA HENSELAE; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 664 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 476 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 65 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.0 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 2 2 0 0 0 4 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 4 5 0 2 0 2 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 7 3 2 0 0 0 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 . 2 0 0 0 0 0 1 3 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 A M 0 0 226 0, 0.0 2,-0.4 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 -61.2 2.6 24.3 -18.2 2 2 A S - 0 0 54 27,-0.1 2,-0.6 1,-0.0 27,-0.2 -0.718 360.0-142.1 -95.9 128.7 5.6 24.1 -20.7 3 3 A V E -a 29 0A 9 25,-2.6 27,-2.3 -2,-0.4 2,-0.8 -0.782 18.0-134.4 -92.5 123.9 8.9 25.8 -20.1 4 4 A R E -a 30 0A 60 -2,-0.6 88,-2.0 85,-0.2 87,-1.5 -0.715 31.0-178.5 -81.9 109.7 10.4 27.2 -23.3 5 5 A V E -ab 31 92A 1 25,-3.1 27,-2.4 -2,-0.8 28,-0.9 -0.768 19.4-157.3-107.2 155.3 14.1 26.3 -23.5 6 6 A A E -ab 33 93A 1 86,-1.6 88,-3.4 -2,-0.3 2,-0.7 -0.999 14.6-141.9-124.7 134.9 16.9 27.0 -26.0 7 7 A I E -ab 34 94A 0 26,-2.1 28,-2.4 -2,-0.4 2,-0.7 -0.856 10.5-161.3 -95.0 114.9 20.0 24.9 -26.2 8 8 A N E S+ab 35 95A 1 86,-2.9 88,-2.6 -2,-0.7 89,-0.5 -0.886 73.6 20.6 -96.9 116.0 23.2 26.9 -26.9 9 9 A G S S- 0 0 7 26,-3.1 2,-0.8 -2,-0.7 27,-0.2 0.742 70.2-144.9 89.4 106.0 25.9 24.5 -28.2 10 10 A F + 0 0 2 25,-0.3 -1,-0.1 4,-0.1 26,-0.1 -0.373 54.9 127.7 -98.9 53.3 24.5 21.2 -29.7 11 11 A G S > S- 0 0 31 -2,-0.8 4,-3.0 85,-0.1 5,-0.4 -0.034 80.3 -57.1 -99.0-160.4 27.4 19.0 -28.6 12 12 A R H >> S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.917 138.6 36.2 -49.9 -65.4 27.3 15.8 -26.7 13 13 A I H 3> S+ 0 0 34 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.786 116.3 54.0 -56.3 -40.2 25.4 17.1 -23.7 14 14 A G H 3> S+ 0 0 1 2,-0.2 4,-1.5 82,-0.2 -1,-0.3 0.902 113.6 42.8 -60.8 -42.2 23.2 19.5 -25.8 15 15 A R H < S+ 0 0 58 -4,-2.2 3,-1.0 2,-0.2 -2,-0.2 0.960 116.9 48.8 -66.5 -50.2 12.1 12.6 -26.2 23 23 A E H 3< S+ 0 0 80 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.932 108.7 51.8 -52.1 -52.7 13.0 9.3 -24.5 24 24 A S H 3< S- 0 0 65 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.664 100.2-134.1 -63.2 -16.1 11.5 10.1 -21.1 25 25 A G << + 0 0 42 -3,-1.0 -1,-0.1 -4,-0.7 -3,-0.1 0.485 46.6 161.6 74.0 1.4 8.2 11.1 -22.7 26 26 A R - 0 0 53 -5,-0.4 -1,-0.2 -6,-0.3 3,-0.1 -0.143 28.0-166.2 -58.8 148.8 8.1 14.3 -20.5 27 27 A Q + 0 0 170 1,-0.1 -1,-0.1 3,-0.0 -5,-0.0 0.194 66.9 87.1-120.2 12.1 5.8 17.0 -21.7 28 28 A D S S+ 0 0 40 -26,-0.1 -25,-2.6 1,-0.1 2,-0.4 0.483 80.1 63.5 -96.1 -1.7 7.0 19.9 -19.5 29 29 A I E -a 3 0A 13 -27,-0.2 2,-0.6 -3,-0.1 -25,-0.2 -0.978 57.6-165.6-130.4 123.8 9.8 21.2 -21.7 30 30 A E E -a 4 0A 92 -27,-2.3 -25,-3.1 -2,-0.4 2,-1.0 -0.930 13.6-149.0-104.4 119.3 9.6 22.7 -25.2 31 31 A V E +a 5 0A 15 -2,-0.6 -25,-0.2 -27,-0.2 3,-0.1 -0.816 25.0 170.6 -86.7 102.6 12.9 22.9 -27.1 32 32 A V E - 0 0 15 -27,-2.4 41,-2.0 -2,-1.0 2,-0.3 0.823 56.8 -0.8 -86.1 -40.3 12.3 26.0 -29.2 33 33 A A E -ac 6 73A 0 -28,-0.9 -26,-2.1 39,-0.2 2,-0.3 -0.959 51.4-154.4-146.1 163.2 15.7 26.6 -30.7 34 34 A L E -ac 7 74A 1 39,-2.4 41,-2.6 -2,-0.3 2,-0.4 -0.988 11.6-153.8-136.3 150.5 19.3 25.4 -30.8 35 35 A N E +ac 8 75A 6 -28,-2.4 -26,-3.1 -2,-0.3 -25,-0.3 -0.970 28.1 137.7-126.7 141.6 22.5 27.4 -31.5 36 36 A D - 0 0 41 39,-2.0 42,-0.1 -2,-0.4 -2,-0.1 -0.860 45.3-134.5-178.6 140.8 25.7 26.1 -32.9 37 37 A L S S+ 0 0 112 -2,-0.3 3,-0.1 39,-0.1 39,-0.1 0.496 77.9 87.0 -91.1 -2.1 28.2 27.3 -35.5 38 38 A G S S- 0 0 40 1,-0.2 -2,-0.1 2,-0.1 5,-0.0 -0.266 95.6 -58.0 -85.3-179.6 28.7 24.0 -37.4 39 39 A S > - 0 0 66 1,-0.1 4,-2.4 -2,-0.1 -1,-0.2 -0.232 34.4-138.3 -61.6 143.5 26.5 22.8 -40.3 40 40 A V H > S+ 0 0 48 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.841 108.5 51.3 -63.1 -31.7 22.9 22.4 -39.7 41 41 A E H > S+ 0 0 105 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.936 108.7 48.0 -74.7 -48.6 23.2 19.2 -41.7 42 42 A T H > S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.919 108.9 56.2 -57.6 -42.8 26.1 17.9 -39.7 43 43 A N H X S+ 0 0 8 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.927 108.4 46.1 -56.1 -49.1 24.1 18.7 -36.5 44 44 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.803 110.5 54.8 -58.3 -34.3 21.1 16.6 -37.6 45 45 A H H X S+ 0 0 98 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.884 107.9 47.8 -70.6 -34.5 23.4 13.8 -38.5 46 46 A L H < S+ 0 0 63 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.734 110.6 52.5 -78.8 -23.9 25.0 13.7 -35.1 47 47 A L H < S+ 0 0 0 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.896 109.0 51.2 -71.8 -41.0 21.6 13.7 -33.5 48 48 A R H < S+ 0 0 63 -4,-1.9 8,-2.7 1,-0.2 2,-0.4 0.876 117.5 32.2 -63.5 -45.8 20.6 10.7 -35.6 49 49 A Y E < +I 55 0B 133 -4,-1.7 2,-0.4 6,-0.2 6,-0.2 -0.975 62.4 176.1-128.6 124.2 23.6 8.5 -34.8 50 50 A D E > -I 54 0B 15 4,-1.0 4,-1.8 -2,-0.4 -3,-0.0 -0.997 25.2-148.2-130.3 135.0 25.6 8.3 -31.6 51 51 A S T 4 S+ 0 0 133 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.741 101.5 32.1 -73.5 -23.0 28.4 5.9 -30.9 52 52 A V T 4 S+ 0 0 32 2,-0.1 -1,-0.2 184,-0.1 185,-0.1 0.869 129.3 31.7 -96.0 -45.9 27.5 5.7 -27.2 53 53 A H T 4 S- 0 0 20 1,-0.3 -2,-0.2 232,-0.0 2,-0.1 0.496 97.4-137.7-101.9 -2.7 23.8 6.2 -27.1 54 54 A G E < -I 50 0B 36 -4,-1.8 -4,-1.0 2,-0.0 -1,-0.3 -0.403 51.7 -7.9 85.4-163.4 22.7 4.5 -30.4 55 55 A C E S-I 49 0B 88 -6,-0.2 -6,-0.2 1,-0.1 -7,-0.1 -0.456 76.2-101.7 -70.8 140.9 20.1 5.7 -32.9 56 56 A F - 0 0 16 -8,-2.7 2,-1.4 -2,-0.2 -1,-0.1 -0.312 36.8-119.8 -51.9 138.0 17.9 8.6 -32.2 57 57 A P S S+ 0 0 56 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.693 84.4 14.7 -91.3 90.1 14.5 7.3 -31.2 58 58 A G S S- 0 0 59 -2,-1.4 2,-0.3 -10,-0.1 -2,-0.1 -0.875 100.4 -51.6 141.9-171.5 12.4 8.8 -34.0 59 59 A T - 0 0 110 -2,-0.3 2,-0.4 10,-0.2 0, 0.0 -0.692 40.1-161.9-101.0 151.6 12.8 10.6 -37.3 60 60 A V + 0 0 10 -2,-0.3 2,-0.4 -4,-0.1 9,-0.2 -0.880 14.4 171.2-139.8 106.3 15.2 13.6 -37.9 61 61 A Q E -D 68 0A 43 7,-2.5 7,-3.3 -2,-0.4 2,-0.7 -0.879 30.4-135.2-118.6 144.7 14.8 15.9 -40.9 62 62 A V E +D 67 0A 47 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.874 29.7 174.4 -92.2 116.7 16.4 19.1 -42.0 63 63 A V E > -D 66 0A 78 3,-2.1 3,-1.8 -2,-0.7 2,-0.1 -0.944 56.4 -58.6-125.6 110.9 13.6 21.4 -43.3 64 64 A G T 3 S- 0 0 71 -2,-0.5 -1,-0.0 1,-0.3 0, 0.0 -0.345 119.3 -13.1 55.6-121.6 14.6 25.0 -44.1 65 65 A D T 3 S+ 0 0 111 -2,-0.1 9,-2.4 -3,-0.1 2,-0.3 0.203 127.4 64.3 -96.8 17.3 16.1 26.7 -41.1 66 66 A A E < S-DE 63 73A 7 -3,-1.8 -3,-2.1 7,-0.2 2,-0.5 -0.873 74.3-121.3-138.1 165.5 15.0 24.1 -38.6 67 67 A I E -DE 62 72A 1 5,-2.7 5,-3.1 -2,-0.3 2,-0.6 -0.956 29.3-142.6-110.2 127.0 15.3 20.5 -37.6 68 68 A D E D 61 0A 67 -7,-3.3 -7,-2.5 -2,-0.5 -2,-0.0 -0.825 360.0 360.0 -94.7 122.7 12.1 18.4 -37.6 69 69 A I 0 0 66 -2,-0.6 -10,-0.2 -9,-0.2 -1,-0.2 0.214 360.0 360.0-130.7 360.0 11.5 15.8 -35.0 70 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 71 73 A L 0 0 137 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 0.000 360.0 360.0 360.0 96.6 10.1 21.5 -35.2 72 74 A I E - E 0 67A 5 -5,-3.1 -5,-2.7 -39,-0.0 -39,-0.2 -0.773 360.0-130.9-102.8 121.2 13.3 23.1 -33.7 73 75 A K E -cE 33 66A 21 -41,-2.0 -39,-2.4 -2,-0.5 2,-0.4 -0.396 21.5-147.0 -67.8 135.9 14.7 26.4 -35.0 74 76 A V E -c 34 0A 15 -9,-2.4 2,-0.3 -41,-0.2 -39,-0.2 -0.899 18.2-178.7-106.9 135.6 18.5 26.3 -35.7 75 77 A F E -c 35 0A 48 -41,-2.6 -39,-2.0 -2,-0.4 2,-0.3 -0.892 20.6-154.2-126.6 159.6 20.8 29.3 -35.3 76 78 A A + 0 0 54 -2,-0.3 2,-0.4 -41,-0.2 -39,-0.1 -0.748 29.6 154.6-135.3 91.8 24.4 30.0 -35.7 77 79 A E - 0 0 70 -2,-0.3 -40,-0.1 1,-0.1 -2,-0.1 -0.976 31.5-166.5-118.4 128.5 25.7 32.9 -33.5 78 80 A R S S+ 0 0 72 -2,-0.4 -1,-0.1 1,-0.2 -41,-0.1 0.868 91.0 52.9 -67.5 -37.7 29.4 33.3 -32.4 79 81 A D S > S- 0 0 77 1,-0.1 3,-3.2 -3,-0.1 4,-0.3 -0.875 75.0-154.5-110.8 100.9 28.0 35.8 -29.9 80 82 A P G > S+ 0 0 5 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.715 92.4 69.7 -45.1 -29.0 25.2 34.5 -27.6 81 83 A A G 3 S+ 0 0 33 1,-0.2 4,-0.0 30,-0.1 -3,-0.0 0.623 91.2 61.4 -66.9 -13.4 24.0 38.1 -27.2 82 84 A Q G < S+ 0 0 124 -3,-3.2 -1,-0.2 2,-0.1 27,-0.0 0.607 78.0 111.9 -88.0 -13.8 22.9 38.1 -30.8 83 85 A L S < S- 0 0 5 -3,-1.3 2,-1.9 -4,-0.3 3,-0.4 -0.319 76.8-121.2 -65.3 139.8 20.4 35.2 -30.4 84 86 A P > + 0 0 42 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 -0.187 60.6 141.3 -79.2 52.7 16.7 36.2 -30.8 85 87 A W T 4> + 0 0 0 -2,-1.9 5,-2.0 2,-0.2 28,-0.3 0.866 69.7 52.0 -61.7 -40.7 15.7 35.0 -27.3 86 88 A K T >45S+ 0 0 74 26,-2.2 3,-1.9 -3,-0.4 -1,-0.2 0.975 111.7 45.8 -56.6 -56.7 13.3 38.0 -26.7 87 89 A A T 345S+ 0 0 90 1,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.840 114.6 49.7 -54.2 -36.6 11.4 37.3 -30.0 88 90 A L T 3<5S- 0 0 42 -4,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.342 105.3-126.6 -91.1 9.2 11.3 33.6 -29.2 89 91 A D T < 5 - 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