==== 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 TRANSFERASE 20-APR-07 2YWJ . COMPND 2 MOLECULE: GLUTAMINE AMIDOTRANSFERASE SUBUNIT PDXT; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR M.MANZOKU,A.EBIHARA,S.YOKOYAMA,S.KURAMITSU,RIKEN STRUCTURAL . 185 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8979.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 16.2 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 16 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 18.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 0 0 2 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 1 1 0 1 0 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 0 0 0 1 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 84 0, 0.0 24,-3.0 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 117.9 1.9 34.8 16.6 2 2 A I E -a 25 0A 38 22,-0.2 37,-3.3 24,-0.0 38,-1.0 -0.947 360.0-168.1-113.2 118.8 3.2 35.3 13.1 3 3 A I E -ab 26 40A 1 22,-3.2 24,-2.2 -2,-0.6 2,-0.2 -0.921 9.7-150.6-109.5 118.7 5.5 32.6 11.7 4 4 A G E -ab 27 41A 0 36,-2.9 38,-2.7 -2,-0.6 2,-0.5 -0.609 3.7-155.8 -86.8 146.8 7.4 33.4 8.5 5 5 A V E -ab 28 42A 0 22,-2.6 24,-2.8 -2,-0.2 2,-0.2 -0.986 19.5-125.4-125.6 120.2 8.3 30.6 6.0 6 6 A L E +a 29 0A 10 36,-2.9 24,-0.2 -2,-0.5 22,-0.1 -0.460 44.5 149.9 -67.2 126.9 11.2 31.2 3.6 7 7 A A + 0 0 6 22,-2.8 3,-0.1 -2,-0.2 5,-0.1 -0.435 7.5 159.9-158.0 69.1 10.3 30.7 -0.0 8 8 A I S S+ 0 0 8 1,-0.2 2,-0.3 43,-0.1 22,-0.1 0.825 90.2 8.0 -62.1 -30.1 12.4 33.0 -2.2 9 9 A Q S S+ 0 0 142 -3,-0.0 -1,-0.2 2,-0.0 2,-0.1 -0.952 112.4 44.9-144.3 150.7 11.3 30.5 -4.9 10 10 A G S S- 0 0 43 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.0 -0.187 81.0 -69.0 103.8 168.3 8.7 27.7 -4.5 11 11 A D + 0 0 123 1,-0.1 3,-0.2 -2,-0.1 4,-0.1 -0.870 33.3 178.0-105.7 128.5 5.3 27.0 -3.2 12 12 A V > + 0 0 7 -2,-0.5 4,-2.7 1,-0.1 5,-0.2 0.010 42.6 119.0-118.7 28.4 4.6 27.0 0.6 13 13 A E H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.853 79.9 52.1 -60.9 -33.7 0.9 26.3 0.8 14 14 A E H > S+ 0 0 107 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.931 111.0 44.9 -67.9 -46.3 1.6 23.1 2.7 15 15 A H H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.910 112.7 52.9 -63.7 -42.9 3.9 24.8 5.3 16 16 A E H X S+ 0 0 45 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.908 108.7 48.9 -60.1 -43.2 1.3 27.7 5.6 17 17 A E H X S+ 0 0 92 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.909 110.0 51.2 -64.7 -41.4 -1.5 25.2 6.3 18 18 A A H X S+ 0 0 8 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.877 109.4 51.3 -63.6 -37.2 0.6 23.4 8.9 19 19 A I H <>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 4,-0.4 0.910 110.4 48.7 -65.2 -42.4 1.3 26.7 10.6 20 20 A K H ><5S+ 0 0 120 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.906 109.8 51.1 -64.0 -43.0 -2.5 27.5 10.7 21 21 A K H 3<5S+ 0 0 118 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.827 104.1 58.8 -63.4 -32.0 -3.3 24.1 12.1 22 22 A A T 3<5S- 0 0 9 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.640 125.9-105.6 -71.9 -13.4 -0.7 24.8 14.8 23 23 A G T < 5S+ 0 0 60 -3,-1.3 2,-0.2 -4,-0.4 -3,-0.2 0.615 81.3 108.4 99.5 18.0 -2.7 27.8 15.7 24 24 A Y S S- 0 0 84 -3,-0.2 3,-1.9 28,-0.1 4,-0.4 -0.885 89.7-100.0-128.9 161.5 11.9 39.0 -0.4 32 32 A V G > S+ 0 0 36 26,-0.6 3,-1.2 -2,-0.3 4,-0.2 0.788 117.6 61.9 -49.8 -35.0 13.9 40.8 2.4 33 33 A E G > S+ 0 0 140 1,-0.2 3,-1.3 2,-0.2 -1,-0.3 0.778 91.6 67.1 -64.7 -28.2 11.0 43.1 3.2 34 34 A D G < S+ 0 0 47 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.678 82.5 74.9 -67.5 -19.1 8.8 40.2 4.2 35 35 A L G X S+ 0 0 15 -3,-1.2 3,-0.9 -4,-0.4 -1,-0.2 0.722 76.5 97.0 -66.8 -21.0 11.1 39.4 7.3 36 36 A E T < S+ 0 0 149 -3,-1.3 -3,-0.0 -4,-0.2 0, 0.0 -0.428 83.9 20.2 -71.6 140.8 9.6 42.4 9.1 37 37 A G T 3 S+ 0 0 38 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.675 91.5 122.4 78.7 17.5 6.8 41.7 11.5 38 38 A I < - 0 0 17 -3,-0.9 -1,-0.2 1,-0.1 -35,-0.2 -0.812 52.3-151.9-111.9 155.2 7.3 38.0 12.2 39 39 A D S S- 0 0 76 -37,-3.3 2,-0.3 -2,-0.3 -36,-0.2 0.638 80.2 -3.6 -94.9 -19.4 8.0 36.2 15.5 40 40 A A E -b 3 0A 0 -38,-1.0 -36,-2.9 29,-0.2 2,-0.4 -0.973 64.9-129.9-164.9 163.8 10.0 33.4 14.0 41 41 A L E -bc 4 71A 1 29,-2.4 31,-2.5 -2,-0.3 2,-0.5 -0.982 6.0-155.6-130.3 137.0 11.2 32.0 10.7 42 42 A I E -bc 5 72A 0 -38,-2.7 -36,-2.9 -2,-0.4 31,-0.2 -0.939 7.1-162.7-109.0 128.4 11.0 28.5 9.2 43 43 A I E + c 0 73A 0 29,-3.2 31,-2.4 -2,-0.5 34,-0.4 -0.892 23.2 165.3-114.4 95.9 13.6 27.7 6.5 44 44 A P + 0 0 8 0, 0.0 2,-0.2 0, 0.0 31,-0.1 -0.334 9.7 111.3 -97.3-176.1 12.4 24.6 4.6 45 45 A G - 0 0 19 -2,-0.1 31,-2.5 31,-0.1 32,-0.3 -0.531 52.9-114.2 131.4 162.6 13.5 23.0 1.3 46 46 A G S S+ 0 0 22 1,-0.3 2,-0.4 29,-0.2 82,-0.0 0.828 93.0 39.9 -92.5 -87.2 15.2 20.1 -0.4 47 47 A E > - 0 0 77 1,-0.1 4,-1.0 28,-0.0 -1,-0.3 -0.515 66.9-160.5 -71.7 119.7 18.5 21.0 -2.1 48 48 A S H > S+ 0 0 3 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.807 79.0 60.8 -72.8 -36.6 20.5 23.5 0.0 49 49 A T H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 104.2 50.1 -62.2 -41.4 22.9 25.1 -2.4 50 50 A A H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 113.2 46.7 -62.9 -42.1 20.2 26.6 -4.6 51 51 A I H X S+ 0 0 34 -4,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.884 109.2 54.5 -67.6 -37.8 18.5 28.1 -1.6 52 52 A G H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.922 109.2 48.2 -61.1 -43.2 21.8 29.4 -0.3 53 53 A K H X S+ 0 0 139 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.885 110.8 50.9 -64.2 -40.5 22.4 31.2 -3.6 54 54 A L H X S+ 0 0 26 -4,-1.9 4,-2.5 2,-0.2 6,-0.3 0.872 107.2 53.8 -64.8 -39.7 18.8 32.6 -3.6 55 55 A M H <>S+ 0 0 0 -4,-2.3 6,-2.1 2,-0.2 5,-0.8 0.898 114.8 40.6 -61.8 -42.6 19.2 34.0 -0.1 56 56 A K H ><5S+ 0 0 128 -4,-1.8 3,-1.1 4,-0.2 -2,-0.2 0.926 113.3 53.8 -71.3 -46.5 22.4 35.8 -1.0 57 57 A K H 3<5S+ 0 0 151 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.902 117.8 35.7 -55.3 -45.1 21.1 37.0 -4.4 58 58 A Y T 3<5S- 0 0 85 -4,-2.5 -26,-0.6 -5,-0.2 -1,-0.3 0.317 114.5-112.9 -95.4 10.3 18.0 38.6 -2.9 59 59 A G T <>5S+ 0 0 35 -3,-1.1 4,-1.5 -4,-0.2 3,-0.2 0.377 82.5 120.2 78.8 -2.4 19.7 39.8 0.3 60 60 A L H >< + 0 0 0 -5,-0.8 4,-2.3 -6,-0.3 5,-0.2 0.758 64.7 69.6 -66.5 -21.6 18.0 37.5 2.8 61 61 A L H > S+ 0 0 16 -6,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.966 106.1 33.8 -60.1 -58.8 21.3 36.0 3.8 62 62 A E H > S+ 0 0 134 -7,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.873 116.0 58.0 -68.2 -33.8 22.7 39.0 5.6 63 63 A K H < S+ 0 0 113 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.914 107.9 45.7 -61.7 -45.6 19.3 40.1 6.8 64 64 A I H >< S+ 0 0 2 -4,-2.3 3,-1.7 1,-0.2 5,-0.3 0.905 110.8 52.8 -65.1 -41.5 18.7 36.8 8.7 65 65 A K H 3< S+ 0 0 80 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.782 107.6 54.1 -63.1 -28.9 22.2 36.9 10.2 66 66 A N T 3< S+ 0 0 139 -4,-1.5 -1,-0.3 -5,-0.1 2,-0.3 0.312 99.8 82.0 -87.8 6.8 21.5 40.4 11.4 67 67 A S < - 0 0 35 -3,-1.7 -3,-0.0 -5,-0.1 0, 0.0 -0.753 68.1-145.4-112.4 161.4 18.3 39.3 13.2 68 68 A N + 0 0 119 -2,-0.3 -3,-0.1 2,-0.0 -4,-0.1 -0.140 52.5 145.2-111.1 33.6 17.6 37.6 16.6 69 69 A L - 0 0 25 -5,-0.3 2,-0.2 1,-0.1 -29,-0.2 -0.467 56.1-116.4 -76.4 138.4 14.8 35.6 15.1 70 70 A P - 0 0 16 0, 0.0 -29,-2.4 0, 0.0 2,-0.4 -0.564 40.2-158.1 -69.4 140.9 14.0 32.1 16.4 71 71 A I E -cd 41 159A 1 87,-1.3 89,-2.6 -31,-0.2 2,-0.6 -0.992 21.5-163.0-133.4 135.5 14.6 29.8 13.4 72 72 A L E -cd 42 160A 0 -31,-2.5 -29,-3.2 -2,-0.4 2,-0.5 -0.970 15.6-166.1-112.5 114.2 13.4 26.3 12.5 73 73 A G E -cd 43 161A 0 87,-3.2 89,-3.0 -2,-0.6 2,-0.5 -0.912 2.8-169.9-105.7 124.5 15.4 24.8 9.7 74 74 A T E > - d 0 162A 0 -31,-2.4 3,-2.3 -2,-0.5 2,-0.7 -0.971 59.3 -44.9-118.7 127.1 14.1 21.6 8.0 75 75 A C T >> S+ 0 0 1 87,-2.7 4,-1.8 -2,-0.5 3,-0.9 -0.397 147.3 25.1 56.5 -99.4 16.2 19.6 5.6 76 76 A A H 3> S+ 0 0 0 -31,-2.5 4,-2.7 -2,-0.7 -1,-0.3 0.874 125.4 56.5 -57.3 -34.5 17.8 22.4 3.5 77 77 A G H <> S+ 0 0 0 -3,-2.3 4,-1.9 -34,-0.4 -1,-0.3 0.790 101.2 54.9 -66.8 -32.3 17.2 24.6 6.5 78 78 A M H <> S+ 0 0 0 -3,-0.9 4,-1.1 84,-0.4 -1,-0.2 0.922 111.7 44.9 -66.0 -44.8 19.2 22.2 8.8 79 79 A V H >< S+ 0 0 5 -4,-1.8 3,-0.7 1,-0.2 5,-0.3 0.955 113.0 50.3 -61.9 -51.1 22.1 22.5 6.4 80 80 A L H 3< S+ 0 0 1 -4,-2.7 12,-3.2 1,-0.2 13,-0.8 0.827 107.1 53.4 -59.0 -36.7 21.8 26.3 6.0 81 81 A L H 3< S+ 0 0 0 -4,-1.9 14,-2.7 11,-0.2 13,-2.1 0.795 95.5 93.8 -69.6 -28.5 21.7 26.9 9.8 82 82 A S S << S- 0 0 0 -4,-1.1 11,-1.4 -3,-0.7 12,-0.2 0.029 74.3-133.8 -63.6 169.7 24.9 25.0 10.3 83 83 A K S S+ 0 0 88 14,-2.7 2,-0.2 12,-0.3 15,-0.2 0.119 85.3 9.6-109.3 15.9 28.5 26.2 10.5 84 84 A G + 0 0 16 13,-0.3 15,-3.1 -5,-0.3 -1,-0.3 -0.752 37.0 174.6 169.2 142.1 29.9 23.5 8.2 85 85 A T - 0 0 23 2,-0.3 16,-0.4 13,-0.2 3,-0.1 0.317 58.0-109.5-135.4 -2.0 29.0 20.7 5.8 86 86 A G S S+ 0 0 93 1,-0.2 2,-0.4 14,-0.1 14,-0.1 0.337 95.5 87.6 86.2 -10.5 32.5 19.7 4.5 87 87 A I S S- 0 0 89 2,-0.0 2,-0.7 0, 0.0 -2,-0.3 -0.954 90.2-105.0-122.7 142.1 31.6 21.2 1.1 88 88 A N + 0 0 169 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.0 -0.558 66.5 128.6 -70.5 109.4 32.1 24.8 0.0 89 89 A Q - 0 0 29 -2,-0.7 2,-0.4 -37,-0.0 -4,-0.1 -0.975 63.8 -79.2-156.0 164.5 28.6 26.4 0.1 90 90 A I + 0 0 47 -2,-0.3 2,-0.3 -41,-0.2 -38,-0.1 -0.557 53.2 173.1 -73.2 124.7 26.7 29.4 1.4 91 91 A L - 0 0 19 -2,-0.4 -10,-0.2 1,-0.1 -11,-0.1 -0.937 41.6-137.1-133.1 154.9 25.6 29.0 5.0 92 92 A L - 0 0 2 -12,-3.2 -11,-0.2 -2,-0.3 -9,-0.1 0.774 33.0-152.3 -77.9 -28.3 24.0 31.1 7.7 93 93 A E + 0 0 110 -11,-1.4 -10,-0.2 -13,-0.8 -11,-0.2 0.928 54.7 121.3 54.9 52.0 26.6 29.8 10.3 94 94 A L + 0 0 33 -13,-2.1 2,-0.3 -14,-0.2 -12,-0.2 0.791 50.8 65.1-108.9 -44.7 24.2 30.3 13.2 95 95 A M S S- 0 0 0 -14,-2.7 2,-2.4 -17,-0.1 -12,-0.3 -0.678 83.7-120.5 -88.7 136.3 23.7 26.9 14.9 96 96 A D S S+ 0 0 33 -2,-0.3 41,-2.7 -14,-0.1 42,-0.7 -0.353 79.4 92.1 -74.8 63.2 26.7 25.2 16.6 97 97 A I E -E 136 0A 0 -2,-2.4 -14,-2.7 39,-0.2 2,-0.3 -0.960 62.6-140.7-148.7 156.6 26.6 22.1 14.5 98 98 A T E - 0 0 11 37,-2.1 36,-2.9 -2,-0.3 2,-0.4 -0.866 27.7-141.5-114.2 154.8 28.2 20.7 11.3 99 99 A V E -E 133 0A 2 -15,-3.1 2,-0.7 -2,-0.3 34,-0.2 -0.953 10.3-142.4-127.1 143.3 26.0 18.7 9.0 100 100 A K E > -E 132 0A 112 32,-2.9 32,-2.0 -2,-0.4 3,-0.6 -0.908 28.8-142.0-100.8 112.3 26.5 15.6 6.8 101 101 A R T 3 S+ 0 0 50 -2,-0.7 4,-0.1 -16,-0.4 29,-0.1 -0.423 77.6 11.4 -74.2 150.7 24.5 16.1 3.6 102 102 A N T > S+ 0 0 35 27,-0.4 3,-1.9 1,-0.1 -1,-0.2 0.894 74.8 174.3 47.9 50.8 22.7 13.2 1.9 103 103 A A T < S+ 0 0 22 27,-1.5 -1,-0.1 -3,-0.6 -2,-0.1 0.724 75.3 45.7 -57.8 -30.0 23.2 11.0 5.0 104 104 A Y T 3 S- 0 0 57 26,-0.7 -1,-0.3 1,-0.3 4,-0.3 0.280 118.8-109.5 -98.7 9.7 21.1 8.2 3.7 105 105 A G < - 0 0 38 -3,-1.9 -1,-0.3 25,-0.2 24,-0.2 -0.194 20.8 -94.0 88.9 175.9 22.7 8.3 0.3 106 106 A R S S+ 0 0 191 1,-0.1 -1,-0.1 -3,-0.1 -3,-0.0 0.159 103.7 79.3-116.8 15.8 21.4 9.3 -3.1 107 107 A Q S S+ 0 0 177 -3,-0.2 2,-0.4 1,-0.1 -2,-0.1 0.721 83.0 67.4 -94.0 -25.5 20.2 6.0 -4.5 108 108 A V S S- 0 0 92 -4,-0.3 21,-0.3 1,-0.1 3,-0.1 -0.845 70.6-147.8-101.3 132.6 16.9 5.9 -2.5 109 109 A D - 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