==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-MAR-04 1UXQ . COMPND 2 MOLECULE: GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE (NADP+); . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPROTEUS TENAX; . AUTHOR E.LORENTZEN,R.HENSEL,E.POHL . 499 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 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 . 40 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 1 0 0 1 1 1 2 3 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 3 4 0 0 0 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 2 1 1 0 0 0 1 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 1 1 0 0 1 1 0 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 3 A A 0 0 72 0, 0.0 2,-2.2 0, 0.0 93,-0.0 0.000 360.0 360.0 360.0 114.2 -0.9 79.5 18.9 2 4 A G + 0 0 42 1,-0.3 3,-0.3 92,-0.0 4,-0.2 -0.372 360.0 47.5 81.2 -61.0 -1.2 82.7 20.9 3 5 A L S S+ 0 0 15 -2,-2.2 -1,-0.3 1,-0.2 3,-0.2 0.841 124.3 34.6 -75.7 -36.3 -4.6 81.7 22.2 4 6 A L S >> S+ 0 0 1 1,-0.2 4,-2.1 2,-0.1 3,-0.9 0.118 81.7 126.8-105.1 19.0 -3.0 78.4 23.0 5 7 A E T 34 S+ 0 0 155 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.867 81.7 33.1 -45.2 -51.5 0.4 79.6 24.0 6 8 A G T 34 S+ 0 0 82 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.635 119.3 55.2 -84.6 -9.3 0.6 78.0 27.4 7 9 A V T <4 S+ 0 0 15 -3,-0.9 -2,-0.2 -4,-0.1 -1,-0.1 0.952 88.8 73.4 -85.6 -58.2 -1.4 74.9 26.3 8 10 A I < - 0 0 18 -4,-2.1 2,-0.5 9,-0.1 9,-0.2 -0.309 65.5-152.3 -61.9 139.3 0.3 73.4 23.3 9 11 A K E -A 16 0A 92 7,-1.9 7,-2.5 5,-0.1 2,-1.4 -0.967 8.2-144.3-115.7 121.5 3.6 71.6 23.9 10 12 A E E +A 15 0A 146 -2,-0.5 2,-0.6 5,-0.2 3,-0.3 -0.693 31.1 171.0 -87.0 92.7 6.1 71.5 21.0 11 13 A K E > -A 14 0A 94 -2,-1.4 3,-1.4 3,-1.1 -2,-0.1 -0.919 68.5 -12.6-104.9 121.8 7.5 68.0 21.5 12 14 A G T 3 S- 0 0 80 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.0 0.925 125.0 -58.4 54.6 50.9 9.8 66.8 18.8 13 15 A G T 3 S+ 0 0 76 -3,-0.3 -1,-0.3 1,-0.1 -3,-0.1 0.371 116.5 100.3 65.3 -3.8 8.9 69.6 16.3 14 16 A V E < S-A 11 0A 39 -3,-1.4 -3,-1.1 -5,-0.1 30,-0.2 -0.952 78.9-116.1-117.9 122.6 5.2 68.8 16.2 15 17 A P E -A 10 0A 40 0, 0.0 30,-2.2 0, 0.0 2,-0.7 -0.322 28.7-149.4 -55.6 127.8 2.7 70.9 18.3 16 18 A V E -Ab 9 45A 0 -7,-2.5 -7,-1.9 28,-0.2 30,-0.2 -0.899 6.4-158.1-107.0 107.7 1.1 68.6 20.8 17 19 A Y E - b 0 46A 20 28,-3.7 30,-2.4 -2,-0.7 -9,-0.1 -0.733 10.9-152.0 -86.2 116.9 -2.5 69.5 21.7 18 20 A P - 0 0 2 0, 0.0 9,-0.2 0, 0.0 2,-0.1 -0.403 20.3-104.3 -85.5 166.2 -3.7 68.2 25.1 19 21 A S E -D 26 0B 0 7,-2.1 7,-3.0 28,-0.3 2,-0.7 -0.477 30.1-119.9 -81.2 157.7 -7.3 67.3 26.1 20 22 A Y E -DE 25 217B 6 197,-2.1 197,-2.6 5,-0.2 2,-0.4 -0.912 23.2-164.3-102.8 115.5 -9.1 69.7 28.4 21 23 A L - 0 0 29 3,-2.7 195,-0.2 -2,-0.7 3,-0.1 -0.235 52.4 -87.3 -95.0 46.0 -10.1 67.8 31.6 22 24 A A S S+ 0 0 6 -2,-0.4 194,-0.1 193,-0.4 191,-0.1 0.960 121.1 18.8 50.9 60.7 -12.7 70.1 33.1 23 25 A G S S+ 0 0 26 192,-0.2 2,-0.3 189,-0.1 -1,-0.2 -0.225 126.5 31.7 148.8 -50.7 -10.2 72.2 35.0 24 26 A E S S- 0 0 154 -3,-0.1 -3,-2.7 188,-0.0 2,-0.3 -0.982 72.1-119.4-139.7 146.2 -6.8 71.6 33.5 25 27 A W E +D 20 0B 53 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.644 66.9 94.6 -79.9 140.3 -5.4 70.9 30.1 26 28 A G E -D 19 0B 16 -7,-3.0 -7,-2.1 -2,-0.3 21,-0.2 -0.865 39.8-170.2 176.6-140.3 -3.5 67.6 30.0 27 29 A G - 0 0 18 -2,-0.3 21,-0.1 -9,-0.2 -2,-0.0 -0.025 15.0-158.5 122.5 132.2 -3.9 63.9 29.3 28 30 A S + 0 0 85 -2,-0.1 2,-0.1 19,-0.1 3,-0.1 -0.019 61.5 103.5-127.2 27.8 -1.7 60.9 29.9 29 31 A G S S- 0 0 22 19,-2.0 21,-0.2 1,-0.3 19,-0.1 -0.359 85.5 -51.3 -98.7-175.9 -3.2 58.6 27.3 30 32 A Q - 0 0 114 19,-0.2 18,-2.4 17,-0.1 2,-0.3 -0.137 56.8-124.0 -53.9 150.2 -1.9 57.6 23.9 31 33 A E E -C 47 0A 68 16,-0.2 2,-0.4 -3,-0.1 16,-0.2 -0.763 26.1-157.1 -96.6 146.1 -0.8 60.5 21.7 32 34 A I E -C 46 0A 31 14,-2.6 14,-2.5 -2,-0.3 2,-0.2 -0.989 12.8-123.6-131.7 136.5 -2.4 60.6 18.2 33 35 A E E -C 45 0A 96 -2,-0.4 2,-0.5 12,-0.2 12,-0.3 -0.526 15.7-152.8 -79.7 139.9 -1.2 62.2 15.0 34 36 A V E -C 44 0A 1 10,-3.1 9,-2.8 -2,-0.2 10,-1.3 -0.954 18.9-165.2-111.3 123.7 -3.4 64.8 13.3 35 37 A K E -C 42 0A 109 -2,-0.5 7,-0.2 158,-0.3 6,-0.1 -0.706 17.8-123.0-113.1 162.1 -2.8 65.0 9.6 36 38 A S >> - 0 0 1 5,-2.1 4,-1.7 -2,-0.3 3,-0.6 -0.822 7.9-146.4-100.6 140.2 -3.7 67.4 6.9 37 39 A P T 34 S+ 0 0 5 0, 0.0 300,-0.2 0, 0.0 333,-0.1 0.618 96.1 73.5 -77.2 -11.3 -5.7 66.2 3.8 38 40 A I T 34 S- 0 0 11 63,-0.5 332,-0.1 1,-0.1 64,-0.1 0.850 126.1 -7.1 -69.5 -34.2 -3.7 68.8 1.9 39 41 A D T <4 S- 0 0 75 -3,-0.6 -1,-0.1 2,-0.2 3,-0.1 0.208 87.2-115.2-148.7 16.7 -0.5 66.7 2.0 40 42 A L S < S+ 0 0 86 -4,-1.7 2,-0.2 1,-0.2 -5,-0.0 0.588 71.0 141.5 55.3 10.8 -1.1 63.7 4.3 41 43 A A - 0 0 41 -5,-0.2 -5,-2.1 1,-0.1 2,-0.5 -0.584 61.1-109.9 -87.2 146.4 1.5 65.2 6.6 42 44 A T E + C 0 35A 48 -2,-0.2 -7,-0.3 -7,-0.2 3,-0.1 -0.603 36.3 174.8 -72.4 120.4 1.3 65.2 10.4 43 45 A I E - 0 0 39 -9,-2.8 2,-0.3 -2,-0.5 -8,-0.2 0.536 62.4 -19.2-105.2 -9.8 0.6 68.8 11.5 44 46 A A E - C 0 34A 0 -10,-1.3 -10,-3.1 -30,-0.2 2,-0.3 -0.981 57.4-120.1-177.0 177.5 0.1 68.0 15.2 45 47 A K E -bC 16 33A 59 -30,-2.2 -28,-3.7 -2,-0.3 2,-0.4 -0.960 16.1-150.4-135.9 152.2 -0.6 65.5 17.8 46 48 A V E -bC 17 32A 0 -14,-2.5 -14,-2.6 -2,-0.3 2,-0.6 -0.959 16.0-131.5-123.8 142.8 -3.4 65.3 20.4 47 49 A I E - C 0 31A 4 -30,-2.4 172,-0.5 -2,-0.4 -28,-0.3 -0.848 19.5-148.9 -95.1 122.1 -3.2 63.7 23.8 48 50 A S - 0 0 6 -18,-2.4 -19,-2.0 -2,-0.6 2,-0.2 -0.579 22.9-113.0 -85.0 153.3 -6.1 61.4 24.5 49 51 A P - 0 0 5 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.539 28.9-113.3 -84.3 156.5 -7.1 61.1 28.1 50 52 A S > - 0 0 26 -2,-0.2 4,-2.2 -21,-0.2 5,-0.2 -0.328 32.2-102.9 -78.6 169.9 -6.6 57.8 30.0 51 53 A R H > S+ 0 0 189 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.878 126.3 53.9 -60.1 -35.6 -9.6 55.8 31.2 52 54 A E H > S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.850 109.4 46.5 -66.7 -35.8 -8.9 57.2 34.6 53 55 A E H > S+ 0 0 18 2,-0.2 4,-2.8 -3,-0.2 -2,-0.2 0.822 110.2 52.5 -77.3 -32.3 -8.9 60.8 33.3 54 56 A V H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.964 112.8 45.9 -64.0 -51.3 -12.1 60.2 31.4 55 57 A E H X S+ 0 0 94 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.903 114.6 47.1 -57.1 -45.5 -13.7 58.9 34.6 56 58 A R H X S+ 0 0 120 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.903 111.0 52.2 -66.7 -40.1 -12.3 61.8 36.6 57 59 A T H X S+ 0 0 2 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.935 109.6 48.2 -61.9 -46.3 -13.5 64.3 34.0 58 60 A L H X S+ 0 0 3 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.914 109.3 54.6 -59.9 -42.0 -17.0 63.0 34.0 59 61 A D H X S+ 0 0 39 -4,-2.1 4,-2.9 -5,-0.2 5,-0.3 0.899 110.7 45.2 -60.0 -41.9 -17.0 63.0 37.8 60 62 A V H X>S+ 0 0 29 -4,-2.2 4,-2.7 2,-0.2 5,-2.3 0.946 113.1 49.4 -67.5 -47.4 -16.1 66.7 37.8 61 63 A L H <>S+ 0 0 0 -4,-2.8 5,-2.1 3,-0.2 -2,-0.2 0.928 118.2 41.1 -55.9 -46.2 -18.6 67.7 35.1 62 64 A F H <5S+ 0 0 64 -4,-3.0 5,-0.2 3,-0.2 -2,-0.2 0.948 121.5 37.7 -69.2 -51.8 -21.3 65.8 37.0 63 65 A K H <5S+ 0 0 113 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.794 140.7 3.1 -75.2 -26.4 -20.5 66.9 40.6 64 66 A R T X5S+ 0 0 132 -4,-2.7 4,-2.4 -5,-0.3 -3,-0.2 0.687 119.4 64.5-128.1 -39.8 -19.5 70.4 39.9 65 67 A G H > S+ 0 0 114 2,-0.2 4,-3.5 -5,-0.2 -1,-0.2 0.854 111.3 52.8 -73.8 -35.9 -23.8 73.5 39.1 68 70 A S H < S+ 0 0 35 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.872 116.1 41.6 -66.1 -39.6 -21.2 76.0 37.8 69 71 A A H >< S+ 0 0 0 -4,-2.5 3,-1.2 -5,-0.2 -2,-0.2 0.964 120.8 41.6 -70.5 -53.0 -23.1 76.2 34.5 70 72 A R H 3< S+ 0 0 89 -4,-2.5 -2,-0.2 113,-0.4 -3,-0.2 0.901 113.6 52.2 -63.7 -41.3 -26.5 76.3 36.2 71 73 A D T 3< S+ 0 0 113 -4,-3.5 -1,-0.3 -5,-0.2 -2,-0.2 0.471 88.3 88.2 -80.5 2.2 -25.5 78.6 39.0 72 74 A M S < S- 0 0 22 -3,-1.2 5,-0.1 -4,-0.3 -4,-0.0 -0.874 90.1-120.5 -91.6 118.1 -24.0 81.2 36.6 73 75 A P >> - 0 0 66 0, 0.0 4,-2.1 0, 0.0 3,-1.2 -0.218 18.4-112.0 -61.3 153.9 -27.0 83.3 35.7 74 76 A G H 3> S+ 0 0 32 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.841 116.1 61.2 -51.2 -39.1 -28.0 83.5 32.1 75 77 A T H 3> S+ 0 0 113 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.886 109.7 42.1 -59.2 -35.0 -27.0 87.2 31.9 76 78 A E H <> S+ 0 0 98 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.873 110.4 55.9 -78.7 -37.9 -23.5 86.1 32.7 77 79 A R H X S+ 0 0 26 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.899 107.2 50.8 -59.3 -40.7 -23.6 83.1 30.4 78 80 A L H X S+ 0 0 23 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.879 108.3 52.2 -64.0 -38.6 -24.5 85.4 27.6 79 81 A A H X S+ 0 0 51 -4,-1.2 4,-2.5 -5,-0.2 -2,-0.2 0.914 108.6 51.1 -65.5 -42.0 -21.5 87.7 28.6 80 82 A V H X S+ 0 0 6 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.968 111.9 46.0 -58.6 -52.7 -19.2 84.6 28.4 81 83 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.857 113.0 49.7 -61.0 -35.6 -20.4 83.7 25.0 82 84 A R H X S+ 0 0 93 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.892 111.3 49.0 -70.7 -36.7 -20.2 87.2 23.7 83 85 A K H X S+ 0 0 89 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.936 110.0 51.5 -65.5 -46.4 -16.6 87.5 25.0 84 86 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.876 106.6 54.6 -58.6 -37.9 -15.7 84.2 23.4 85 87 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.920 108.9 49.1 -62.0 -41.8 -17.1 85.5 20.1 86 88 A D H X S+ 0 0 55 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.911 110.7 49.0 -63.4 -44.2 -14.8 88.5 20.5 87 89 A I H X S+ 0 0 8 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.944 114.2 45.1 -62.2 -47.3 -11.7 86.4 21.1 88 90 A I H < S+ 0 0 0 -4,-2.6 3,-0.3 1,-0.2 7,-0.3 0.915 111.8 53.5 -63.1 -42.5 -12.4 84.1 18.2 89 91 A E H >< S+ 0 0 96 -4,-2.6 3,-1.1 -5,-0.2 -1,-0.2 0.867 108.5 47.5 -62.2 -38.3 -13.2 87.1 16.0 90 92 A R H 3< S+ 0 0 175 -4,-2.2 -1,-0.2 1,-0.3 3,-0.2 0.755 115.6 46.8 -75.9 -18.7 -9.9 88.8 16.8 91 93 A N T 3X S+ 0 0 33 -4,-1.3 4,-2.4 -3,-0.3 -1,-0.3 0.012 77.6 126.5-104.8 24.5 -8.1 85.5 16.1 92 94 A L H <> + 0 0 33 -3,-1.1 4,-3.3 1,-0.2 5,-0.3 0.915 68.8 49.4 -49.5 -56.3 -10.0 84.9 12.9 93 95 A D H > S+ 0 0 104 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.893 112.3 49.5 -53.8 -42.9 -7.0 84.3 10.6 94 96 A V H > S+ 0 0 48 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.907 113.1 46.9 -63.1 -42.3 -5.5 81.8 13.1 95 97 A F H X S+ 0 0 2 -4,-2.4 4,-1.4 -7,-0.3 -2,-0.2 0.935 114.7 46.5 -64.8 -45.9 -8.8 80.0 13.3 96 98 A A H X S+ 0 0 0 -4,-3.3 4,-3.1 -5,-0.2 3,-0.3 0.918 108.2 55.5 -62.5 -45.4 -9.3 80.0 9.6 97 99 A E H X S+ 0 0 113 -4,-2.8 4,-3.3 -5,-0.3 5,-0.2 0.909 107.3 49.6 -55.3 -46.2 -5.7 78.8 8.9 98 100 A V H X S+ 0 0 21 -4,-1.7 4,-3.1 2,-0.2 5,-0.4 0.836 111.5 50.0 -63.3 -32.1 -6.2 75.8 11.1 99 101 A L H X>S+ 0 0 0 -4,-1.4 4,-2.4 -3,-0.3 6,-1.4 0.944 112.0 46.6 -71.3 -46.7 -9.4 75.0 9.3 100 102 A V H X5S+ 0 0 5 -4,-3.1 4,-1.3 4,-0.2 -2,-0.2 0.961 122.7 36.5 -58.0 -50.3 -7.7 75.3 5.9 101 103 A M H <5S+ 0 0 45 -4,-3.3 -63,-0.5 -5,-0.2 -2,-0.2 0.945 124.6 36.7 -69.6 -51.9 -4.8 73.1 7.1 102 104 A N H <5S+ 0 0 0 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.846 132.1 25.9 -73.7 -32.7 -6.5 70.6 9.3 103 105 A A H <5S- 0 0 0 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.578 97.6-122.0-107.7 -13.9 -9.7 70.2 7.3 104 106 A G << + 0 0 0 -4,-1.3 -4,-0.2 -5,-0.7 231,-0.2 0.749 54.7 163.2 78.4 23.3 -8.6 71.0 3.8 105 107 A K - 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