==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-OCT-11 3U4G . COMPND 2 MOLECULE: NAMN:DMB PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR M.E.CUFF,E.EVDOKIMOVA,A.MURSLEEN,A.SAVCHENKO,A.EDWARDS,A.JOA . 326 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13522.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 1 1 0 0 2 0 2 2 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 2 1 2 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X 0 0 137 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.6 -19.6 42.6 26.7 2 2 A K + 0 0 216 131,-0.0 2,-0.3 132,-0.0 3,-0.0 -0.308 360.0 164.4 -64.8 137.8 -20.4 39.0 26.0 3 3 A K - 0 0 64 -2,-0.1 130,-0.3 0, 0.0 129,-0.1 -0.966 46.1 -86.9-144.6 159.8 -18.9 37.3 22.9 4 4 A V B -a 133 0A 63 128,-2.5 130,-2.5 -2,-0.3 131,-0.4 -0.463 39.3-128.0 -66.1 145.1 -18.4 33.8 21.6 5 5 A K S S+ 0 0 148 1,-0.2 130,-0.4 128,-0.2 2,-0.3 0.952 83.3 1.4 -61.4 -50.5 -15.1 32.4 22.9 6 6 A S - 0 0 11 128,-0.2 2,-0.5 127,-0.1 -1,-0.2 -1.000 57.0-164.8-146.6 134.7 -13.8 31.3 19.5 7 7 A L E -b 136 0B 10 128,-2.2 130,-2.2 -2,-0.3 2,-0.4 -0.989 16.0-145.5-120.9 125.9 -14.9 31.4 15.9 8 8 A F E -bc 137 80B 0 71,-2.6 73,-1.8 -2,-0.5 2,-0.4 -0.750 14.2-166.4 -90.2 132.3 -13.2 29.3 13.2 9 9 A L E -bc 138 81B 0 128,-2.8 130,-3.1 -2,-0.4 2,-0.7 -0.979 9.2-155.7-117.7 133.6 -12.9 30.8 9.8 10 10 A L E -bc 139 82B 0 71,-1.8 73,-3.4 -2,-0.4 2,-0.6 -0.933 13.0-158.7-110.6 112.1 -12.0 28.8 6.7 11 11 A V E -bc 140 83B 0 128,-3.0 130,-2.2 -2,-0.7 2,-0.4 -0.822 5.5-155.4 -97.4 122.5 -10.5 31.0 4.1 12 12 A L E +bc 141 84B 0 71,-2.8 73,-1.6 -2,-0.6 74,-1.5 -0.782 19.5 163.9 -98.7 138.6 -10.6 29.7 0.5 13 13 A G E - c 0 86B 0 128,-2.3 2,-0.3 -2,-0.4 74,-0.3 -0.973 19.2-159.9-145.9 160.5 -8.2 30.7 -2.2 14 14 A N - 0 0 0 72,-1.8 89,-2.3 -2,-0.3 2,-0.3 -0.981 5.2-171.9-136.5 158.4 -6.9 29.8 -5.6 15 15 A T B > -h 103 0C 0 128,-0.5 3,-1.8 -2,-0.3 4,-0.2 -0.997 33.1-129.5-144.8 140.1 -3.8 30.7 -7.6 16 16 A E G > S+ 0 0 58 87,-3.0 3,-1.9 -2,-0.3 4,-0.4 0.745 103.7 78.7 -56.7 -24.8 -2.8 30.0 -11.2 17 17 A I G > S+ 0 0 0 1,-0.3 3,-1.5 87,-0.2 -1,-0.3 0.826 81.9 64.1 -52.9 -35.8 0.4 28.7 -9.7 18 18 A S G < S+ 0 0 2 -3,-1.8 6,-0.3 125,-0.4 -1,-0.3 0.619 89.4 69.1 -72.5 -7.8 -1.4 25.4 -8.8 19 19 A T G < S+ 0 0 65 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.707 74.5 100.7 -73.2 -22.2 -1.9 24.7 -12.5 20 20 A I S X S- 0 0 19 -3,-1.5 3,-2.1 -4,-0.4 4,-0.4 -0.529 87.7-108.2 -70.6 122.1 1.8 24.1 -12.9 21 21 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.130 98.9 10.8 -54.5 138.6 2.4 20.3 -13.0 22 22 A G T 3 S+ 0 0 57 2,-0.3 143,-0.1 -4,-0.1 3,-0.1 0.292 99.8 102.4 79.5 -7.2 4.1 18.9 -9.9 23 23 A I S < S+ 0 0 7 -3,-2.1 2,-0.3 1,-0.2 121,-0.1 0.835 84.5 24.0 -80.7 -33.8 3.7 22.1 -7.9 24 24 A S - 0 0 29 -4,-0.4 -2,-0.3 -6,-0.3 -1,-0.2 -0.984 45.0-169.3-133.1 142.9 0.6 21.1 -5.7 25 25 A V + 0 0 69 -2,-0.3 2,-2.2 33,-0.1 35,-0.1 0.196 57.3 115.8-109.8 17.9 -0.8 17.8 -4.5 26 26 A A S S+ 0 0 38 32,-0.1 10,-0.2 116,-0.0 2,-0.2 -0.379 84.4 14.7 -83.6 63.9 -4.1 19.5 -3.1 27 27 A G S S- 0 0 4 -2,-2.2 6,-0.2 30,-0.2 -3,-0.0 -0.587 93.7 -90.4 138.2 154.9 -6.2 17.6 -5.6 28 28 A A S S+ 0 0 16 30,-0.2 -1,-0.1 -2,-0.2 30,-0.1 0.749 106.2 5.3 -72.3 -23.7 -5.8 14.6 -8.0 29 29 A T S > S- 0 0 62 -3,-0.1 4,-1.0 1,-0.1 -1,-0.0 -0.941 83.1 -99.5-147.4 165.0 -4.6 16.7 -10.9 30 30 A P T >4 S+ 0 0 49 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.893 123.3 53.6 -55.9 -37.9 -3.7 20.3 -11.6 31 31 A E G >4 S+ 0 0 124 1,-0.2 3,-1.7 2,-0.2 4,-0.2 0.930 105.7 53.2 -60.7 -44.4 -7.2 20.9 -13.1 32 32 A L G >> S+ 0 0 70 1,-0.3 3,-1.7 2,-0.2 4,-1.4 0.654 88.8 77.5 -71.1 -14.4 -8.9 19.5 -10.0 33 33 A T G << S+ 0 0 1 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.785 85.1 66.3 -64.0 -22.7 -7.0 21.9 -7.8 34 34 A K G <4 S+ 0 0 57 -3,-1.7 55,-0.4 -4,-0.4 -1,-0.3 0.778 107.5 37.7 -64.6 -21.9 -9.5 24.4 -9.1 35 35 A I T X> S+ 0 0 32 -3,-1.7 4,-2.3 -4,-0.2 3,-0.6 0.653 93.3 89.7-101.6 -26.7 -12.3 22.5 -7.3 36 36 A T H 3X S+ 0 0 5 -4,-1.4 4,-2.8 1,-0.2 5,-0.2 0.859 83.7 50.3 -45.3 -52.9 -10.4 21.5 -4.1 37 37 A P H 3> S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.893 113.9 45.2 -62.1 -35.7 -11.2 24.6 -1.9 38 38 A V H <> S+ 0 0 0 -3,-0.6 4,-2.6 -4,-0.2 5,-0.2 0.899 113.2 48.9 -73.7 -36.1 -15.0 24.4 -2.5 39 39 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.903 110.2 52.4 -69.2 -40.9 -15.2 20.7 -2.0 40 40 A D H X S+ 0 0 4 -4,-2.8 4,-1.1 -5,-0.3 -1,-0.2 0.931 112.9 44.4 -54.4 -49.3 -13.3 21.0 1.2 41 41 A A H X S+ 0 0 0 -4,-1.7 4,-0.5 -5,-0.2 3,-0.4 0.914 114.0 48.9 -64.3 -45.2 -15.6 23.7 2.5 42 42 A E H >X S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 4,-1.4 0.889 104.0 59.9 -65.4 -42.9 -18.8 21.9 1.4 43 43 A Y H 3< S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.839 93.2 67.6 -54.0 -33.7 -17.7 18.6 3.0 44 44 A L H 3< S+ 0 0 1 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.828 112.8 29.5 -57.5 -28.4 -17.5 20.3 6.4 45 45 A F H << S+ 0 0 71 -3,-1.5 2,-0.3 -4,-0.5 -1,-0.2 0.604 120.6 47.6-108.7 -15.7 -21.3 20.8 6.4 46 46 A Y S < S- 0 0 114 -4,-1.4 4,-0.0 -3,-0.1 -1,-0.0 -0.872 83.0-112.2-129.2 158.5 -22.6 17.8 4.3 47 47 A E S S+ 0 0 112 -2,-0.3 -4,-0.1 1,-0.1 -1,-0.1 0.848 108.4 11.3 -59.9 -33.5 -21.9 14.0 4.2 48 48 A K S S- 0 0 61 -6,-0.1 6,-0.1 275,-0.1 5,-0.1 -0.933 95.3 -95.3-136.3 155.3 -20.3 14.6 0.8 49 49 A P - 0 0 4 0, 0.0 -10,-0.1 0, 0.0 -9,-0.1 -0.183 28.5-144.9 -60.0 171.7 -19.2 17.8 -1.0 50 50 A L S S+ 0 0 83 -12,-0.2 3,-0.1 3,-0.0 -11,-0.1 0.756 89.9 60.7-113.8 -39.4 -21.8 19.2 -3.6 51 51 A T S S- 0 0 46 1,-0.2 2,-0.3 -13,-0.1 -12,-0.0 0.911 133.8 -1.4 -60.3 -41.7 -19.7 20.7 -6.4 52 52 A I S S- 0 0 58 -17,-0.1 -1,-0.2 2,-0.1 0, 0.0 -0.928 78.1-128.8-138.5 158.2 -18.4 17.2 -6.9 53 53 A D S S+ 0 0 101 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.0 0.307 82.1 75.9 -99.2 7.4 -19.4 14.3 -4.7 54 54 A T S S- 0 0 55 -6,-0.1 3,-0.1 269,-0.1 -2,-0.1 -0.949 82.7-113.5-120.0 145.9 -16.0 13.0 -3.8 55 55 A I - 0 0 17 -2,-0.4 -2,-0.1 1,-0.1 -19,-0.1 -0.310 43.7 -92.3 -70.3 150.1 -13.6 14.6 -1.3 56 56 A P - 0 0 14 0, 0.0 8,-2.3 0, 0.0 2,-0.3 -0.319 49.6-178.3 -61.6 148.6 -10.4 16.0 -2.7 57 57 A V B -I 63 0D 42 6,-0.2 -30,-0.2 -3,-0.1 -21,-0.1 -0.940 29.4-106.4-139.9 158.6 -7.4 13.6 -2.7 58 58 A T > - 0 0 8 4,-1.9 3,-2.6 -2,-0.3 -30,-0.2 -0.439 45.2 -99.7 -74.3 164.6 -3.7 13.8 -3.7 59 59 A P T 3 S+ 0 0 71 0, 0.0 -31,-0.1 0, 0.0 -1,-0.1 0.836 130.6 56.0 -52.1 -30.2 -2.7 12.0 -6.9 60 60 A E T 3 S- 0 0 93 -35,-0.1 -32,-0.0 2,-0.1 -35,-0.0 0.505 124.2-108.1 -75.7 -10.1 -1.5 9.3 -4.5 61 61 A G < + 0 0 31 -3,-2.6 219,-0.0 1,-0.3 -33,-0.0 0.713 64.6 151.6 85.9 23.8 -5.0 9.1 -3.0 62 62 A H - 0 0 6 1,-0.1 -4,-1.9 221,-0.1 -1,-0.3 -0.784 47.3-115.8 -85.6 130.5 -4.4 10.7 0.4 63 63 A P B -I 57 0D 1 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.274 30.6 -94.2 -68.1 146.4 -7.6 12.4 1.7 64 64 A T > - 0 0 9 -8,-2.3 3,-1.7 1,-0.1 4,-0.2 -0.280 29.6-123.8 -45.7 139.9 -7.9 16.1 2.2 65 65 A P T >> S+ 0 0 13 0, 0.0 3,-1.5 0, 0.0 4,-1.5 0.568 97.8 94.2 -68.8 -1.8 -7.2 17.2 5.8 66 66 A A H 3> S+ 0 0 0 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.811 74.0 68.9 -53.2 -27.2 -10.7 18.7 5.7 67 67 A I H <> S+ 0 0 0 -3,-1.7 4,-2.1 2,-0.2 -1,-0.3 0.862 97.6 48.5 -63.6 -30.9 -11.6 15.4 7.3 68 68 A I H <> S+ 0 0 0 -3,-1.5 4,-2.7 2,-0.2 5,-0.2 0.930 111.3 49.1 -72.9 -45.9 -9.7 16.3 10.4 69 69 A T H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.938 111.7 49.5 -57.4 -48.2 -11.4 19.7 10.6 70 70 A K H X S+ 0 0 5 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.922 111.8 49.1 -58.2 -47.9 -14.8 18.0 10.1 71 71 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.919 111.1 47.9 -55.4 -52.5 -14.1 15.5 12.9 72 72 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.900 113.7 48.0 -60.8 -41.2 -13.0 18.2 15.3 73 73 A R H X S+ 0 0 63 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.878 108.8 54.6 -65.7 -38.4 -16.1 20.3 14.6 74 74 A E H < S+ 0 0 69 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.874 114.3 40.4 -67.0 -34.8 -18.3 17.3 15.0 75 75 A L H < S+ 0 0 39 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.892 129.1 26.6 -73.1 -45.7 -16.9 16.5 18.4 76 76 A S H < S- 0 0 26 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.634 86.9-138.8-101.5 -17.0 -16.7 20.1 19.8 77 77 A N < + 0 0 137 -4,-2.6 -4,-0.1 -5,-0.3 -3,-0.1 0.650 35.5 173.1 70.6 17.5 -19.4 22.0 17.9 78 78 A F - 0 0 16 -6,-0.3 -1,-0.2 1,-0.1 2,-0.2 -0.178 37.3-103.1 -60.6 149.0 -17.2 25.2 17.4 79 79 A P - 0 0 52 0, 0.0 -71,-2.6 0, 0.0 2,-0.4 -0.508 39.7-167.4 -76.9 148.4 -18.7 27.8 15.1 80 80 A I E -c 8 0B 18 -73,-0.2 2,-0.4 -2,-0.2 -71,-0.2 -0.982 15.8-174.9-134.4 140.7 -17.5 28.1 11.6 81 81 A L E -c 9 0B 72 -73,-1.8 -71,-1.8 -2,-0.4 2,-0.4 -0.984 22.1-139.0-128.8 130.6 -17.9 30.6 8.8 82 82 A V E -c 10 0B 1 12,-0.4 14,-3.3 -2,-0.4 2,-0.5 -0.709 16.3-160.1 -81.3 135.9 -16.4 30.0 5.4 83 83 A V E -cd 11 96B 0 -73,-3.4 -71,-2.8 -2,-0.4 2,-1.2 -0.967 11.5-147.6-123.9 122.9 -14.8 32.9 3.8 84 84 A R E +cd 12 97B 23 12,-3.6 14,-2.0 -2,-0.5 15,-1.4 -0.728 20.9 175.0 -89.5 98.0 -14.2 33.0 -0.0 85 85 A G E S- 0 0 0 -73,-1.6 16,-0.3 -2,-1.2 -72,-0.2 0.948 71.3 -43.1 -68.0 -45.9 -10.9 35.1 -0.2 86 86 A G E S+c 13 0B 0 -74,-1.5 -72,-1.8 -3,-0.2 2,-0.3 -0.485 78.2 154.7 174.5 115.2 -10.7 34.6 -4.0 87 87 A T - 0 0 0 12,-0.5 -53,-0.1 -74,-0.3 3,-0.1 -0.906 53.2-109.4-142.3 163.1 -11.4 31.3 -5.8 88 88 A Y S S+ 0 0 69 -2,-0.3 2,-0.3 -54,-0.2 -1,-0.1 0.938 103.8 27.2 -60.0 -43.9 -12.5 30.1 -9.3 89 89 A L S S- 0 0 71 -55,-0.4 -1,-0.1 -3,-0.1 -3,-0.1 -0.888 78.5-120.0-124.8 149.0 -15.9 29.0 -7.8 90 90 A A - 0 0 42 -2,-0.3 2,-0.1 -3,-0.1 -52,-0.0 -0.636 40.5-114.9 -74.5 138.7 -18.2 29.9 -5.0 91 91 A P - 0 0 3 0, 0.0 2,-1.9 0, 0.0 -52,-0.1 -0.502 24.8-114.7 -73.7 151.7 -18.7 27.0 -2.6 92 92 A L S S+ 0 0 100 -2,-0.1 -2,-0.0 -54,-0.1 -54,-0.0 -0.383 90.0 74.0 -86.2 60.2 -22.3 25.7 -2.5 93 93 A I S S- 0 0 15 -2,-1.9 2,-0.1 -43,-0.0 -51,-0.1 -0.949 100.2 -74.0-153.1 161.6 -22.9 26.7 1.1 94 94 A P + 0 0 120 0, 0.0 -12,-0.4 0, 0.0 2,-0.3 -0.471 67.1 157.4 -60.8 138.7 -23.4 30.0 2.8 95 95 A H - 0 0 56 -2,-0.1 2,-0.5 -14,-0.1 -12,-0.2 -0.981 46.9 -98.2-159.5 156.5 -20.1 31.8 2.9 96 96 A V E -d 83 0B 41 -14,-3.3 -12,-3.6 -2,-0.3 2,-0.6 -0.696 37.3-141.3 -82.6 127.4 -18.6 35.3 3.3 97 97 A H E +d 84 0B 99 -2,-0.5 -12,-0.1 -14,-0.2 3,-0.1 -0.795 36.0 155.5 -91.9 123.4 -17.7 36.8 -0.1 98 98 A I - 0 0 4 -14,-2.0 2,-0.3 -2,-0.6 -13,-0.2 0.753 68.6 -32.8-104.9 -53.7 -14.5 38.8 -0.2 99 99 A S - 0 0 1 -15,-1.4 -12,-0.5 2,-0.1 -1,-0.4 -0.978 31.9-134.5-158.4 169.0 -13.7 38.4 -4.0 100 100 A N + 0 0 110 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.1 0.063 66.0 129.9-109.7 22.5 -13.9 36.1 -7.0 101 101 A V - 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