==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-JUL-08 3DOC . COMPND 2 MOLECULE: GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA MELITENSIS BIOVAR ABORTUS . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE . 1339 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45419.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 960 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 169 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 11.5 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 . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 2 0.1 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 . 123 9.2 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 . 289 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 1.7 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 8 3 0 0 2 4 0 0 3 5 0 1 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 9 11 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 7 13 1 0 0 0 8 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 . 1 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 A M 0 0 234 0, 0.0 3,-0.1 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 -64.0 53.5 2.6 15.2 2 2 A A - 0 0 30 25,-0.1 27,-0.3 1,-0.1 26,-0.1 -0.330 360.0-104.6 -62.7 141.3 49.7 2.0 15.7 3 3 A V E -a 29 0A 10 25,-1.9 27,-2.5 1,-0.1 2,-0.7 -0.417 34.7-129.9 -63.4 134.7 47.5 4.9 14.7 4 4 A R E -a 30 0A 82 25,-0.2 89,-2.1 87,-0.1 90,-1.4 -0.780 31.6-169.9 -92.1 114.9 46.2 6.7 17.8 5 5 A V E -ab 31 94A 0 25,-3.4 27,-2.6 -2,-0.7 28,-1.1 -0.833 21.0-158.2-113.0 146.1 42.4 7.2 17.8 6 6 A A E -ab 33 95A 0 88,-1.7 90,-3.2 -2,-0.3 2,-0.6 -0.939 15.4-145.0-108.8 134.8 39.8 9.0 19.7 7 7 A I E -ab 34 96A 0 26,-2.5 28,-2.3 -2,-0.4 2,-0.6 -0.880 7.8-157.4 -97.6 115.8 36.1 8.0 19.7 8 8 A N E S+ab 35 97A 6 88,-2.5 90,-1.8 -2,-0.6 28,-0.2 -0.860 73.0 17.5 -94.7 121.0 33.5 10.8 19.9 9 9 A G - 0 0 11 26,-2.8 5,-0.4 -2,-0.6 27,-0.2 0.760 66.8-145.8 82.4 107.2 30.1 9.5 21.2 10 10 A F + 0 0 3 4,-0.1 -1,-0.1 25,-0.1 518,-0.1 -0.190 56.8 128.6-101.5 36.5 30.3 6.2 23.0 11 11 A G S > S- 0 0 27 87,-0.3 4,-2.3 -3,-0.1 3,-0.2 -0.095 85.8 -65.5 -67.2-175.3 26.9 5.1 21.8 12 12 A R H > S+ 0 0 24 514,-0.2 4,-2.5 1,-0.2 5,-0.2 0.835 134.2 53.4 -46.5 -51.5 26.7 1.7 20.1 13 13 A I H > S+ 0 0 40 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.929 111.7 44.8 -53.2 -51.9 29.0 2.5 17.2 14 14 A G H > S+ 0 0 0 -5,-0.4 4,-1.4 84,-0.3 -1,-0.2 0.880 112.6 50.3 -56.5 -48.1 31.8 3.8 19.3 15 15 A R H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.898 110.0 50.9 -62.1 -39.8 31.6 0.9 21.8 16 16 A N H X S+ 0 0 2 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.866 102.8 58.5 -72.1 -31.8 31.7 -1.7 19.1 17 17 A I H X S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.956 110.7 44.8 -52.7 -53.3 34.7 -0.2 17.3 18 18 A L H X S+ 0 0 1 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.925 113.0 49.4 -52.8 -53.0 36.6 -0.7 20.6 19 19 A R H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.887 109.9 51.5 -61.6 -39.7 35.2 -4.1 21.2 20 20 A A H X S+ 0 0 9 -4,-2.9 4,-1.7 2,-0.2 6,-0.3 0.878 109.4 49.6 -64.2 -37.6 36.2 -5.1 17.7 21 21 A I H <>S+ 0 0 8 -4,-1.8 5,-0.6 -5,-0.2 4,-0.5 0.943 116.3 42.5 -63.7 -48.7 39.8 -3.9 18.1 22 22 A V H ><5S+ 0 0 27 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.910 114.7 48.6 -63.3 -48.4 40.2 -5.7 21.4 23 23 A E H 3<5S+ 0 0 67 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.860 110.2 51.7 -66.7 -32.7 38.5 -9.0 20.3 24 24 A S T 3<5S- 0 0 74 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.624 100.1-133.3 -77.2 -15.6 40.5 -9.2 17.0 25 25 A G T < 5 + 0 0 55 -3,-0.9 -3,-0.1 -4,-0.5 -4,-0.1 0.458 44.1 167.8 71.7 3.5 43.8 -8.8 18.8 26 26 A R < - 0 0 62 -5,-0.6 -1,-0.2 -6,-0.3 -2,-0.0 -0.075 25.9-169.7 -58.8 156.9 44.9 -6.2 16.2 27 27 A T + 0 0 129 1,-0.1 -25,-0.1 3,-0.0 -1,-0.1 0.341 68.0 82.7-129.1 -3.0 48.0 -4.2 16.9 28 28 A D S S+ 0 0 59 -26,-0.1 -25,-1.9 -27,-0.0 2,-0.3 0.503 93.4 37.2 -90.9 -4.3 47.8 -1.6 14.1 29 29 A I E -a 3 0A 6 -27,-0.3 2,-0.4 -8,-0.1 -25,-0.2 -0.989 61.7-166.7-145.4 150.5 45.3 0.8 15.8 30 30 A Q E -a 4 0A 75 -27,-2.5 -25,-3.4 -2,-0.3 2,-0.7 -0.961 19.1-136.9-147.2 129.6 44.8 2.1 19.4 31 31 A V E +a 5 0A 0 -2,-0.4 -25,-0.2 -27,-0.2 3,-0.1 -0.713 28.6 166.4 -82.0 116.9 42.0 3.9 21.1 32 32 A V E + 0 0 19 -27,-2.6 43,-0.9 -2,-0.7 2,-0.3 0.435 59.4 26.1-110.4 -3.0 43.6 6.6 23.3 33 33 A A E -ac 6 75A 0 -28,-1.1 -26,-2.5 41,-0.2 2,-0.3 -0.993 50.8-165.0-161.5 150.5 40.5 8.7 24.1 34 34 A I E -ac 7 76A 2 41,-2.0 43,-3.6 -2,-0.3 2,-0.4 -0.998 6.9-163.8-137.3 138.5 36.8 8.8 24.4 35 35 A N E +ac 8 77A 7 -28,-2.3 -26,-2.8 -2,-0.3 2,-0.3 -0.994 28.0 135.7-125.5 128.6 34.4 11.8 24.6 36 36 A D - 0 0 27 41,-1.8 4,-0.1 -2,-0.4 44,-0.1 -0.955 48.6-131.5-168.2 146.3 30.8 11.5 25.8 37 37 A L S S+ 0 0 111 -2,-0.3 3,-0.1 41,-0.1 41,-0.1 0.637 77.8 83.7 -91.5 -10.2 28.5 13.5 28.1 38 38 A G S S- 0 0 21 1,-0.1 -2,-0.1 2,-0.0 2,-0.1 -0.328 92.3 -66.6 -82.2 171.3 27.2 10.7 30.3 39 39 A P >> - 0 0 77 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.310 33.5-130.4 -69.8 134.6 28.8 9.1 33.3 40 40 A V H 3> S+ 0 0 23 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.796 107.5 53.0 -53.9 -34.1 31.9 7.1 33.2 41 41 A E H 3> S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.895 107.4 50.4 -73.1 -36.9 30.5 4.3 35.2 42 42 A T H <> S+ 0 0 14 -3,-0.6 4,-2.3 1,-0.2 -2,-0.2 0.946 109.4 51.7 -64.1 -45.3 27.4 4.0 32.9 43 43 A N H X S+ 0 0 5 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.810 110.0 49.8 -59.2 -32.3 29.7 3.8 29.8 44 44 A A H X S+ 0 0 0 -4,-1.4 4,-2.2 -5,-0.2 -1,-0.2 0.911 108.3 52.1 -75.2 -39.8 31.7 1.1 31.4 45 45 A H H X S+ 0 0 8 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.923 109.4 49.5 -60.1 -44.8 28.6 -0.9 32.3 46 46 A L H < S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.742 110.9 50.5 -63.8 -29.4 27.4 -0.7 28.6 47 47 A L H < S+ 0 0 0 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.868 112.1 47.6 -71.5 -41.9 30.8 -1.9 27.4 48 48 A R H < S+ 0 0 54 -4,-2.2 8,-2.0 1,-0.2 2,-0.5 0.863 117.0 43.1 -63.5 -39.7 30.7 -4.8 29.8 49 49 A Y E < +I 55 0B 16 -4,-2.0 2,-0.5 6,-0.2 -1,-0.2 -0.895 61.3 174.3-123.3 105.2 27.2 -5.9 28.9 50 50 A D E > -I 54 0B 2 4,-1.2 4,-1.5 -2,-0.5 -3,-0.0 -0.917 21.1-157.9-112.0 126.7 25.7 -6.1 25.4 51 51 A S T 4 S+ 0 0 4 -2,-0.5 -1,-0.1 2,-0.2 4,-0.1 0.584 97.6 30.6 -71.6 -9.0 22.3 -7.5 24.7 52 52 A V T 4 S+ 0 0 14 2,-0.2 -1,-0.1 186,-0.1 187,-0.1 0.710 131.5 31.9-111.7 -49.0 23.1 -8.3 21.1 53 53 A H T 4 S- 0 0 21 1,-0.2 -2,-0.2 -4,-0.0 2,-0.1 0.546 101.3-141.6 -91.7 -7.3 26.8 -9.1 21.2 54 54 A G E < -I 50 0B 16 -4,-1.5 -4,-1.2 2,-0.0 -1,-0.2 -0.336 50.2 -4.9 83.1-163.6 26.9 -10.5 24.7 55 55 A R E -I 49 0B 112 -6,-0.2 -6,-0.2 1237,-0.1 -7,-0.1 -0.462 69.9-119.3 -76.1 131.9 29.5 -10.2 27.4 56 56 A F - 0 0 14 -8,-2.0 -1,-0.1 -2,-0.2 4,-0.1 -0.545 25.8-135.1 -68.0 133.3 32.6 -8.3 26.6 57 57 A P S S+ 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.220 73.7 62.3 -90.8 17.7 35.3 -10.9 27.1 58 58 A K S S- 0 0 108 -10,-0.1 -2,-0.1 1,-0.0 12,-0.1 -0.920 89.6 -88.5-135.2 161.6 37.8 -8.8 28.9 59 59 A E - 0 0 146 -2,-0.3 2,-0.5 10,-0.1 -1,-0.0 -0.352 32.4-152.7 -66.2 146.8 38.0 -7.0 32.2 60 60 A V - 0 0 10 -4,-0.1 2,-0.6 10,-0.1 9,-0.2 -0.885 11.1-164.9-126.5 103.8 36.9 -3.4 32.3 61 61 A E E -D 68 0A 102 7,-1.9 7,-1.7 -2,-0.5 2,-0.5 -0.765 5.8-160.7 -96.6 122.4 38.6 -1.3 35.0 62 62 A V E +D 67 0A 38 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.859 17.3 166.9 -95.4 128.3 37.2 2.0 36.0 63 63 A A - 0 0 68 3,-1.6 3,-0.2 -2,-0.5 2,-0.1 -0.753 64.0 -59.0-143.4 89.4 39.7 4.3 37.8 64 64 A G S S- 0 0 57 -2,-0.3 2,-0.7 1,-0.2 -1,-0.3 -0.447 118.9 -13.7 67.7-143.8 38.4 7.8 38.0 65 65 A D S S+ 0 0 116 -3,-0.1 11,-2.7 -2,-0.1 2,-0.3 -0.052 123.8 90.8 -80.4 37.6 37.7 9.4 34.6 66 66 A T E - E 0 75A 27 -2,-0.7 -3,-1.6 -3,-0.2 2,-0.3 -0.897 55.6-161.2-134.4 157.7 39.6 6.5 33.0 67 67 A I E -DE 62 74A 3 7,-1.5 7,-2.6 -2,-0.3 2,-0.4 -0.997 4.9-161.1-144.7 139.6 38.9 3.1 31.6 68 68 A D E +DE 61 73A 33 -7,-1.7 -7,-1.9 -2,-0.3 -2,-0.0 -0.966 15.4 177.0-131.6 117.9 41.3 0.3 30.9 69 69 A V S S- 0 0 1 3,-0.5 -1,-0.1 -2,-0.4 -10,-0.1 0.280 79.4 -60.7-102.9 10.7 40.5 -2.6 28.6 70 70 A G S S+ 0 0 51 2,-0.3 -2,-0.1 -9,-0.1 -10,-0.1 0.464 126.0 63.7 131.2 5.8 43.9 -4.2 29.1 71 71 A Y S S- 0 0 85 1,-0.6 -3,-0.0 0, 0.0 0, 0.0 0.213 108.3 -62.5-141.2 19.8 46.5 -1.8 27.9 72 72 A G S S- 0 0 21 2,-0.0 -1,-0.6 0, 0.0 -3,-0.5 -0.463 75.6 -41.2 115.8 165.9 46.4 1.2 30.1 73 73 A P E - 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