==== 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 1UXR . 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) . 20576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 72.1 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 . 46 9.2 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 . 37 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.4 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 . 3 3 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 . 1 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 78 0, 0.0 2,-1.4 0, 0.0 3,-1.3 0.000 360.0 360.0 360.0 105.1 0.6 80.4 20.3 2 4 A G G > + 0 0 61 1,-0.3 3,-0.8 2,-0.2 4,-0.3 -0.383 360.0 32.1 60.4 -89.8 -1.2 83.5 21.7 3 5 A L G 3 S+ 0 0 20 -2,-1.4 -1,-0.3 1,-0.2 3,-0.2 0.910 136.8 28.5 -62.5 -46.7 -4.6 81.9 22.5 4 6 A L G X> S+ 0 0 5 -3,-1.3 4,-2.6 1,-0.2 3,-1.0 0.052 85.6 132.3-104.7 24.3 -3.1 78.5 23.3 5 7 A E T <4 S+ 0 0 133 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.891 80.6 24.4 -39.3 -70.7 0.3 79.9 24.4 6 8 A G T 34 S+ 0 0 81 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.441 122.3 59.3 -82.6 3.0 0.7 78.0 27.7 7 9 A V T <4 S+ 0 0 15 -3,-1.0 -2,-0.2 11,-0.0 -1,-0.2 0.893 88.3 70.8 -94.7 -53.6 -1.5 75.1 26.6 8 10 A I S < S- 0 0 15 -4,-2.6 2,-0.6 9,-0.1 9,-0.2 -0.445 70.1-152.0 -67.2 137.6 0.1 73.8 23.5 9 11 A K E -A 16 0A 100 7,-2.2 7,-1.8 -2,-0.1 2,-0.8 -0.944 8.1-141.6-116.4 111.7 3.4 71.9 24.1 10 12 A E E +A 15 0A 146 -2,-0.6 2,-0.4 5,-0.2 3,-0.1 -0.615 34.3 168.1 -72.7 111.3 6.0 71.9 21.3 11 13 A K E > -A 14 0A 94 3,-1.3 3,-1.3 -2,-0.8 -2,-0.1 -0.976 62.9 -10.8-133.1 118.5 7.4 68.4 21.6 12 14 A G T 3 S- 0 0 80 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.897 123.6 -60.6 62.9 42.4 9.6 66.9 18.9 13 15 A G T 3 S+ 0 0 78 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.374 119.9 97.4 69.5 -5.8 8.9 69.7 16.4 14 16 A V E < S-A 11 0A 37 -3,-1.3 -3,-1.3 -5,-0.1 30,-0.1 -0.962 80.0-115.3-120.6 122.6 5.2 69.0 16.3 15 17 A P E -A 10 0A 40 0, 0.0 30,-2.2 0, 0.0 2,-0.6 -0.279 27.6-149.1 -55.2 128.3 2.7 71.0 18.5 16 18 A V E -Ab 9 45A 0 -7,-1.8 -7,-2.2 28,-0.2 30,-0.2 -0.912 5.7-157.1-108.4 113.8 1.0 68.7 21.0 17 19 A Y E - b 0 46A 24 28,-4.0 30,-2.6 -2,-0.6 -9,-0.1 -0.768 10.6-151.3 -90.4 117.2 -2.6 69.7 22.0 18 20 A P - 0 0 5 0, 0.0 9,-0.2 0, 0.0 2,-0.1 -0.343 19.3-107.9 -83.4 168.9 -3.8 68.4 25.4 19 21 A S E -D 26 0B 0 7,-2.4 7,-2.9 28,-0.2 2,-0.6 -0.494 29.0-118.9 -86.2 163.0 -7.4 67.6 26.4 20 22 A Y E -DE 25 217B 7 197,-2.5 197,-2.6 5,-0.2 2,-0.5 -0.935 22.7-164.6-107.7 116.8 -9.3 69.9 28.8 21 23 A L - 0 0 31 3,-2.4 195,-0.2 -2,-0.6 3,-0.1 -0.279 53.2 -86.6 -97.3 48.6 -10.3 67.9 31.9 22 24 A A S S+ 0 0 6 -2,-0.5 194,-0.1 193,-0.4 -1,-0.1 0.933 121.8 18.8 50.9 55.1 -12.9 70.2 33.5 23 25 A G S S+ 0 0 27 192,-0.2 2,-0.3 188,-0.0 -1,-0.2 -0.147 125.6 31.8 153.0 -47.8 -10.3 72.3 35.4 24 26 A E S S- 0 0 154 -3,-0.1 -3,-2.4 188,-0.1 2,-0.3 -0.995 72.4-118.1-141.9 143.0 -6.9 71.8 33.8 25 27 A W E +D 20 0B 51 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.605 66.8 98.5 -75.2 138.8 -5.5 71.1 30.4 26 28 A G E -D 19 0B 21 -7,-2.9 -7,-2.4 -2,-0.3 21,-0.2 -0.868 39.4-169.1 179.5-145.0 -3.7 67.8 30.4 27 29 A G - 0 0 20 -2,-0.3 21,-0.1 -9,-0.2 -2,-0.0 -0.192 16.4-160.9 130.6 137.4 -3.9 64.1 29.6 28 30 A S + 0 0 92 20,-0.1 3,-0.1 -2,-0.1 -1,-0.1 0.158 62.1 102.2-127.6 12.0 -1.9 60.9 30.2 29 31 A G S S- 0 0 23 19,-2.2 21,-0.2 1,-0.2 19,-0.1 -0.187 85.9 -53.6 -88.2-173.8 -3.4 58.7 27.5 30 32 A Q - 0 0 112 19,-0.2 18,-2.2 17,-0.1 2,-0.3 -0.218 55.6-123.6 -57.3 147.6 -1.9 57.7 24.1 31 33 A E E -C 47 0A 70 16,-0.2 2,-0.4 -3,-0.1 16,-0.2 -0.733 27.7-155.0 -92.6 146.2 -0.9 60.6 21.9 32 34 A I E -C 46 0A 30 14,-2.4 14,-2.2 -2,-0.3 2,-0.1 -0.986 11.5-122.7-130.6 136.3 -2.5 60.7 18.5 33 35 A E E -C 45 0A 104 -2,-0.4 2,-0.5 12,-0.2 12,-0.2 -0.438 17.2-155.8 -75.1 144.5 -1.3 62.3 15.2 34 36 A V E -C 44 0A 2 10,-2.5 9,-2.8 -2,-0.1 10,-1.2 -0.989 16.9-164.9-121.7 123.9 -3.5 64.9 13.5 35 37 A K E -C 42 0A 107 -2,-0.5 7,-0.2 158,-0.3 6,-0.1 -0.689 18.5-124.1-113.7 162.4 -2.9 65.2 9.7 36 38 A S > - 0 0 2 5,-2.2 4,-1.6 -2,-0.2 3,-0.4 -0.823 9.1-147.6-100.4 140.0 -3.7 67.7 7.0 37 39 A P T 4 S+ 0 0 7 0, 0.0 300,-0.2 0, 0.0 333,-0.1 0.573 94.5 73.5 -80.8 -8.1 -5.6 66.4 3.9 38 40 A I T 4 S- 0 0 13 63,-0.5 288,-0.2 1,-0.1 332,-0.1 0.856 126.2 -6.4 -71.9 -34.4 -3.7 69.0 1.9 39 41 A D T 4 S- 0 0 77 -3,-0.4 -1,-0.1 2,-0.2 3,-0.1 0.257 88.6-116.2-145.3 11.2 -0.4 67.0 2.1 40 42 A L < + 0 0 91 -4,-1.6 2,-0.2 1,-0.2 -5,-0.0 0.563 69.4 141.2 61.0 9.4 -1.1 64.0 4.4 41 43 A A - 0 0 41 -5,-0.2 -5,-2.2 1,-0.1 2,-0.4 -0.511 60.6-107.7 -85.1 152.1 1.5 65.4 6.7 42 44 A T E + C 0 35A 43 -7,-0.2 -7,-0.3 -2,-0.2 3,-0.1 -0.639 37.0 173.9 -76.1 124.3 1.3 65.4 10.5 43 45 A I E - 0 0 37 -9,-2.8 2,-0.3 -2,-0.4 -8,-0.2 0.503 61.1 -18.8-111.0 -7.3 0.6 68.9 11.7 44 46 A A E - C 0 34A 0 -10,-1.2 -10,-2.5 -30,-0.1 2,-0.3 -0.977 56.3-122.2-177.9 178.4 0.1 68.3 15.4 45 47 A K E -bC 16 33A 61 -30,-2.2 -28,-4.0 -2,-0.3 2,-0.4 -0.965 15.1-149.7-138.8 152.8 -0.7 65.7 18.1 46 48 A V E -bC 17 32A 1 -14,-2.2 -14,-2.4 -2,-0.3 2,-0.7 -0.964 15.6-131.7-124.7 142.2 -3.5 65.5 20.7 47 49 A I E - C 0 31A 5 -30,-2.6 172,-0.5 -2,-0.4 -28,-0.2 -0.847 20.4-149.4 -95.3 119.3 -3.2 63.9 24.0 48 50 A S - 0 0 3 -18,-2.2 -19,-2.2 -2,-0.7 2,-0.2 -0.517 22.9-110.9 -82.0 155.4 -6.2 61.6 24.8 49 51 A P - 0 0 5 0, 0.0 -19,-0.2 0, 0.0 2,-0.1 -0.526 28.3-115.8 -84.9 157.0 -7.2 61.2 28.4 50 52 A S > - 0 0 30 -2,-0.2 4,-2.2 -21,-0.2 3,-0.2 -0.404 32.3-102.4 -82.9 167.5 -6.7 58.0 30.3 51 53 A R H > S+ 0 0 185 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.925 126.2 52.0 -53.9 -46.3 -9.7 56.0 31.6 52 54 A E H > S+ 0 0 129 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.838 109.8 48.1 -58.9 -37.3 -9.0 57.4 35.0 53 55 A E H > S+ 0 0 16 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.806 110.4 51.3 -76.3 -29.6 -9.0 61.0 33.7 54 56 A V H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.949 112.6 46.9 -68.5 -49.0 -12.2 60.4 31.8 55 57 A E H X S+ 0 0 87 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.916 114.4 46.4 -57.4 -47.8 -13.8 59.1 35.0 56 58 A R H X S+ 0 0 124 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.899 111.3 52.3 -65.0 -40.8 -12.4 62.0 37.0 57 59 A T H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.937 110.7 46.8 -60.9 -47.2 -13.6 64.5 34.4 58 60 A L H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.914 110.7 53.9 -61.8 -40.2 -17.1 63.1 34.4 59 61 A D H X S+ 0 0 38 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.910 111.0 45.3 -61.1 -42.1 -17.1 63.2 38.2 60 62 A V H X>S+ 0 0 29 -4,-2.5 4,-2.6 2,-0.2 5,-2.5 0.944 113.5 49.3 -66.0 -47.4 -16.1 66.9 38.2 61 63 A L H <>S+ 0 0 0 -4,-2.9 5,-2.1 3,-0.2 -2,-0.2 0.915 117.9 40.8 -56.6 -45.4 -18.7 67.8 35.5 62 64 A F H <5S+ 0 0 68 -4,-2.8 5,-0.2 3,-0.2 4,-0.2 0.958 122.1 36.9 -70.3 -54.4 -21.4 65.9 37.4 63 65 A K H <5S+ 0 0 116 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.804 141.0 3.6 -72.9 -29.5 -20.6 67.0 41.0 64 66 A R T X5S+ 0 0 127 -4,-2.6 4,-2.4 -5,-0.3 -3,-0.2 0.707 120.0 63.8-124.6 -40.8 -19.5 70.5 40.3 65 67 A G H > S+ 0 0 118 -5,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.837 110.9 54.5 -74.4 -34.3 -23.9 73.6 39.6 68 70 A S H < S+ 0 0 32 -4,-2.4 4,-0.3 2,-0.2 -2,-0.2 0.886 115.9 40.0 -65.6 -41.4 -21.3 76.0 38.2 69 71 A A H >< S+ 0 0 0 -4,-2.5 3,-1.0 -5,-0.2 -2,-0.2 0.946 120.2 43.8 -72.0 -48.9 -23.2 76.3 35.0 70 72 A R H 3< S+ 0 0 91 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.904 113.8 50.0 -65.1 -41.3 -26.6 76.4 36.6 71 73 A D T 3< S+ 0 0 110 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.472 87.8 90.6 -80.9 -0.2 -25.7 78.8 39.3 72 74 A M S < S- 0 0 28 -3,-1.0 5,-0.1 -4,-0.3 -4,-0.0 -0.858 90.5-119.4 -89.0 115.5 -24.1 81.3 37.0 73 75 A P >> - 0 0 61 0, 0.0 4,-2.0 0, 0.0 3,-1.6 -0.189 17.7-111.9 -57.1 150.8 -27.1 83.5 36.2 74 76 A G H 3> S+ 0 0 32 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.839 116.3 63.2 -50.4 -38.0 -28.2 83.7 32.6 75 77 A T H 3> S+ 0 0 104 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.865 108.3 41.4 -59.6 -33.9 -27.1 87.3 32.4 76 78 A E H <> S+ 0 0 101 -3,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.868 109.3 57.7 -80.5 -37.6 -23.5 86.2 33.0 77 79 A R H X S+ 0 0 25 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.930 107.4 49.7 -55.6 -43.5 -23.7 83.2 30.8 78 80 A L H X S+ 0 0 24 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.911 109.0 50.9 -61.4 -44.1 -24.6 85.6 28.0 79 81 A A H X S+ 0 0 45 -4,-1.2 4,-2.3 -5,-0.2 -1,-0.2 0.899 109.7 52.1 -62.2 -40.0 -21.6 87.8 28.9 80 82 A V H X S+ 0 0 8 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.964 110.9 45.4 -60.0 -52.5 -19.4 84.8 28.7 81 83 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.879 113.6 50.2 -60.8 -38.2 -20.6 83.7 25.3 82 84 A R H X S+ 0 0 109 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.883 110.7 48.7 -66.8 -40.2 -20.3 87.3 24.0 83 85 A K H X S+ 0 0 94 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.910 109.7 52.7 -66.1 -41.9 -16.8 87.7 25.3 84 86 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.893 106.1 54.4 -61.0 -38.4 -15.9 84.4 23.7 85 87 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.929 107.9 49.6 -60.7 -44.2 -17.3 85.7 20.4 86 88 A D H X S+ 0 0 55 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.913 111.0 49.4 -60.3 -44.3 -15.0 88.7 20.7 87 89 A I H X S+ 0 0 8 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.892 113.4 45.2 -64.1 -41.1 -11.9 86.5 21.3 88 90 A I H < S+ 0 0 1 -4,-2.5 3,-0.5 2,-0.2 7,-0.2 0.924 112.1 53.5 -69.7 -41.2 -12.6 84.3 18.4 89 91 A E H >< S+ 0 0 90 -4,-2.8 3,-1.7 -5,-0.2 -2,-0.2 0.927 108.4 47.1 -59.4 -47.1 -13.3 87.2 16.2 90 92 A R H 3< S+ 0 0 177 -4,-2.6 -1,-0.2 1,-0.3 3,-0.2 0.732 115.0 48.5 -69.4 -17.0 -10.0 89.0 16.9 91 93 A N T 3X S+ 0 0 34 -4,-0.9 4,-2.5 -3,-0.5 -1,-0.3 0.025 77.3 125.8-105.2 24.6 -8.3 85.6 16.3 92 94 A L H <> + 0 0 34 -3,-1.7 4,-3.4 1,-0.2 5,-0.2 0.912 68.7 49.1 -50.1 -55.5 -10.1 85.1 13.1 93 95 A D H > S+ 0 0 103 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.888 112.8 48.7 -54.8 -42.6 -7.1 84.5 10.8 94 96 A V H > S+ 0 0 66 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.913 113.1 46.8 -64.7 -43.8 -5.6 82.0 13.3 95 97 A F H X S+ 0 0 1 -4,-2.5 4,-1.5 -7,-0.2 -2,-0.2 0.943 115.3 47.0 -63.1 -45.5 -9.0 80.1 13.5 96 98 A A H X S+ 0 0 0 -4,-3.4 4,-3.1 -5,-0.2 3,-0.3 0.940 107.4 55.2 -62.1 -48.3 -9.4 80.2 9.7 97 99 A E H X S+ 0 0 119 -4,-3.0 4,-2.9 1,-0.3 5,-0.2 0.892 108.2 49.5 -52.3 -44.7 -5.8 79.0 9.0 98 100 A V H X S+ 0 0 23 -4,-1.7 4,-3.2 2,-0.2 5,-0.5 0.853 110.2 50.4 -65.1 -34.5 -6.3 76.0 11.2 99 101 A L H X>S+ 0 0 0 -4,-1.5 4,-2.2 -3,-0.3 6,-1.2 0.940 111.9 48.4 -68.2 -45.1 -9.5 75.1 9.4 100 102 A V H X5S+ 0 0 7 -4,-3.1 4,-1.2 4,-0.2 -2,-0.2 0.959 121.8 34.4 -57.7 -52.6 -7.8 75.5 6.1 101 103 A M H <5S+ 0 0 44 -4,-2.9 -63,-0.5 -5,-0.2 -2,-0.2 0.910 125.3 38.6 -70.7 -47.1 -4.9 73.3 7.2 102 104 A N H <5S+ 0 0 1 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.899 131.4 25.2 -75.2 -37.7 -6.6 70.8 9.4 103 105 A A H <5S- 0 0 1 -4,-2.2 -3,-0.2 -5,-0.5 -2,-0.2 0.551 98.5-122.7-103.8 -11.1 -9.9 70.3 7.5 104 106 A G << + 0 0 0 -4,-1.2 -4,-0.2 -5,-0.6 231,-0.2 0.781 53.7 164.0 74.4 27.9 -8.6 71.2 4.0 105 107 A K - 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