==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-JAN-12 4DA6 . COMPND 2 MOLECULE: PURINE NUCLEOSIDE PHOSPHORYLASE DEOD-TYPE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR N.H.MARTINS,P.O.GIUSEPPE,A.N.MEZA,M.T.MURAKAMI . 231 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 2 0 0 0 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 0 0 0 1 0 1 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 2 0 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 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 2 A S 0 0 56 0, 0.0 3,-0.4 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 162.5 -42.7 22.0 -2.2 2 3 A V + 0 0 122 1,-0.2 3,-0.0 68,-0.1 68,-0.0 0.844 360.0 24.6 -59.3 -39.4 -41.6 25.1 -0.3 3 4 A H S S+ 0 0 36 67,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.396 112.0 68.1-113.0 1.2 -41.1 23.5 3.1 4 5 A I - 0 0 3 -3,-0.4 -1,-0.1 2,-0.1 35,-0.1 -0.984 60.0-157.1-127.6 122.6 -40.4 19.8 2.3 5 6 A G + 0 0 44 -2,-0.4 2,-0.1 36,-0.1 34,-0.1 0.115 49.9 126.5 -85.9 25.1 -37.3 18.6 0.5 6 7 A A - 0 0 10 1,-0.1 2,-0.2 33,-0.0 -2,-0.1 -0.413 49.3-135.5 -87.4 157.9 -38.6 15.3 -0.8 7 8 A E > - 0 0 139 1,-0.2 3,-2.2 -2,-0.1 4,-0.4 -0.605 46.7 -61.3-100.9 166.4 -38.7 13.9 -4.4 8 9 A K T 3 S+ 0 0 195 1,-0.3 -1,-0.2 -2,-0.2 71,-0.1 -0.152 121.9 6.9 -45.4 127.1 -41.5 12.2 -6.3 9 10 A G T 3 S+ 0 0 76 2,-0.2 -1,-0.3 70,-0.1 70,-0.0 0.403 94.8 111.0 79.0 -2.0 -42.7 9.0 -4.6 10 11 A Q < + 0 0 54 -3,-2.2 2,-0.4 28,-0.1 -2,-0.1 0.763 68.8 64.6 -75.2 -23.7 -40.5 9.5 -1.5 11 12 A I S S- 0 0 11 -4,-0.4 -2,-0.2 68,-0.1 37,-0.1 -0.882 85.7-126.8-104.2 134.5 -43.6 10.0 0.7 12 13 A A - 0 0 10 -2,-0.4 44,-0.1 2,-0.3 70,-0.1 -0.098 23.5-108.1 -71.9 168.5 -46.1 7.2 1.2 13 14 A D S S+ 0 0 106 42,-0.2 70,-2.5 68,-0.2 69,-1.9 0.708 110.4 52.9 -62.4 -28.3 -49.9 7.3 0.6 14 15 A T E S-a 83 0A 5 41,-0.3 43,-2.6 68,-0.2 2,-0.4 -0.957 70.7-176.3-118.4 127.1 -50.3 7.3 4.4 15 16 A V E -ab 84 57A 0 68,-2.5 70,-2.8 -2,-0.4 2,-0.3 -0.990 17.5-145.6-129.5 127.3 -48.5 9.7 6.7 16 17 A L E -ab 85 58A 2 41,-3.0 43,-2.7 -2,-0.4 70,-0.2 -0.737 17.0-152.3 -83.2 142.3 -48.4 9.9 10.5 17 18 A L E +a 86 0A 0 68,-3.2 70,-0.8 -2,-0.3 43,-0.2 -0.672 19.8 170.8-128.7 77.0 -48.3 13.4 11.8 18 19 A P - 0 0 4 0, 0.0 43,-1.5 0, 0.0 44,-0.3 -0.492 34.3-133.1 -72.2 153.7 -46.6 14.0 15.2 19 20 A G S S+ 0 0 16 68,-0.4 43,-1.9 41,-0.2 69,-0.1 0.850 89.6 67.1 -73.1 -36.1 -46.0 17.6 16.2 20 21 A D >> - 0 0 74 1,-0.1 4,-1.6 41,-0.1 3,-0.9 -0.771 70.0-152.3 -95.1 120.7 -42.4 17.1 17.4 21 22 A P H 3> S+ 0 0 25 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.787 98.6 59.1 -61.9 -25.6 -39.9 16.2 14.6 22 23 A L H 3> S+ 0 0 111 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.801 105.8 49.5 -72.7 -27.2 -37.8 14.3 17.2 23 24 A R H <> S+ 0 0 88 -3,-0.9 4,-2.8 2,-0.2 -1,-0.2 0.802 105.2 57.0 -75.7 -30.7 -40.9 12.1 17.8 24 25 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.935 109.4 46.1 -61.4 -44.0 -41.2 11.6 14.1 25 26 A K H X S+ 0 0 87 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.928 112.4 50.3 -61.5 -47.1 -37.6 10.2 14.1 26 27 A F H X S+ 0 0 83 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.913 111.5 48.2 -60.8 -44.9 -38.4 8.1 17.2 27 28 A I H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 5,-0.4 0.943 113.7 45.1 -60.0 -50.7 -41.5 6.6 15.6 28 29 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.940 118.0 43.2 -62.8 -45.3 -39.9 5.8 12.2 29 30 A E H < S+ 0 0 118 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.845 119.8 42.1 -71.5 -34.4 -36.8 4.2 13.8 30 31 A T H < S+ 0 0 77 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.827 128.8 23.7 -78.8 -34.9 -38.7 2.3 16.5 31 32 A Y H < S+ 0 0 37 -4,-2.4 2,-0.3 -5,-0.2 -3,-0.2 0.646 109.4 66.0-111.1 -22.7 -41.6 1.0 14.4 32 33 A L < - 0 0 9 -4,-2.0 3,-0.3 -5,-0.4 2,-0.3 -0.774 61.0-138.7-114.2 153.8 -40.6 0.9 10.7 33 34 A E E S+C 50 0A 130 17,-2.5 17,-2.4 -2,-0.3 -3,-0.0 -0.689 80.3 17.9 -99.5 157.9 -38.1 -1.0 8.6 34 35 A N E S- 0 0 138 -2,-0.3 2,-0.3 15,-0.2 -1,-0.2 0.887 83.6-168.8 53.4 51.8 -35.9 0.3 5.8 35 36 A V E - 0 0 52 -3,-0.3 2,-0.4 14,-0.1 14,-0.2 -0.524 15.2-176.9 -83.4 132.6 -36.2 3.9 6.8 36 37 A E E -C 48 0A 123 12,-2.6 12,-2.6 -2,-0.3 2,-0.6 -0.969 24.4-132.8-120.5 143.2 -35.1 6.9 4.7 37 38 A C E +C 47 0A 49 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.879 24.9 177.0 -92.0 117.7 -35.2 10.5 5.8 38 39 A Y E + 0 0 11 8,-1.7 2,-0.4 -2,-0.6 9,-0.2 0.545 62.6 43.2 -97.5 -10.4 -36.7 12.5 3.0 39 40 A N E +C 46 0A 1 7,-1.5 7,-1.3 -35,-0.1 -1,-0.2 -0.968 37.2 152.6-144.2 129.3 -36.8 15.9 4.6 40 41 A E > + 0 0 138 -2,-0.4 3,-2.5 5,-0.2 5,-0.2 0.294 36.2 134.4-124.7 0.7 -34.4 17.9 6.8 41 42 A V G > S- 0 0 60 1,-0.3 3,-2.1 2,-0.2 -36,-0.1 -0.337 88.8 -4.6 -58.1 129.5 -35.7 21.4 5.9 42 43 A R G 3 S- 0 0 197 1,-0.3 -1,-0.3 -38,-0.0 3,-0.1 0.564 119.0 -81.8 59.0 14.2 -36.0 23.5 9.1 43 44 A G G < S+ 0 0 29 -3,-2.5 2,-1.7 1,-0.2 -1,-0.3 0.643 94.3 139.1 65.2 15.0 -35.2 20.3 11.0 44 45 A M < - 0 0 25 -3,-2.1 -3,-0.2 -41,-0.1 -1,-0.2 -0.567 47.6-149.8 -88.9 74.5 -38.8 19.3 10.6 45 46 A Y - 0 0 66 -2,-1.7 15,-2.4 -5,-0.2 2,-0.4 -0.037 21.3-174.2 -58.8 142.1 -37.9 15.7 9.8 46 47 A G E -CD 39 59A 0 -7,-1.3 -8,-1.7 13,-0.2 -7,-1.5 -0.992 8.0-176.1-131.0 142.7 -40.0 13.4 7.6 47 48 A F E -CD 37 58A 12 11,-2.2 11,-2.3 -2,-0.4 2,-0.4 -0.948 14.2-155.7-136.9 151.6 -39.2 9.7 7.1 48 49 A T E +CD 36 57A 12 -12,-2.6 -12,-2.6 -2,-0.3 2,-0.2 -0.999 29.4 137.3-130.6 138.0 -40.5 6.8 5.1 49 50 A G E - D 0 56A 0 7,-2.3 7,-2.6 -2,-0.4 2,-0.4 -0.797 46.5 -88.8-152.6-169.1 -40.2 3.1 5.9 50 51 A T E -CD 33 55A 28 -17,-2.4 -17,-2.5 -2,-0.2 2,-0.5 -0.920 19.3-164.5-119.2 148.5 -42.4 -0.0 5.9 51 52 A Y E > S- D 0 54A 52 3,-2.8 3,-1.4 -2,-0.4 -19,-0.1 -0.989 87.0 -16.8-127.9 117.4 -44.7 -1.6 8.4 52 53 A K T 3 S- 0 0 171 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.867 131.5 -51.2 51.0 41.7 -45.6 -5.2 7.6 53 54 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 -20,-0.0 -1,-0.3 0.567 115.5 113.6 78.8 11.1 -44.3 -4.7 4.1 54 55 A K E < S- D 0 51A 89 -3,-1.4 -3,-2.8 2,-0.0 -1,-0.2 -0.974 71.3-112.7-119.6 132.0 -46.4 -1.5 3.4 55 56 A K E + D 0 50A 125 -2,-0.4 2,-0.3 -5,-0.2 -41,-0.3 -0.347 40.1 173.4 -59.4 131.3 -44.9 2.0 2.9 56 57 A I E - D 0 49A 13 -7,-2.6 -7,-2.3 -44,-0.1 2,-0.3 -0.992 15.0-153.4-141.7 136.9 -45.7 4.5 5.7 57 58 A S E -bD 15 48A 0 -43,-2.6 -41,-3.0 -2,-0.3 2,-0.4 -0.781 2.6-159.2-112.9 160.0 -44.4 8.0 6.2 58 59 A V E -bD 16 47A 0 -11,-2.3 -11,-2.2 -2,-0.3 2,-0.4 -0.958 14.7-180.0-140.2 116.5 -43.9 10.0 9.4 59 60 A Q E - D 0 46A 0 -43,-2.7 -13,-0.2 -2,-0.4 -14,-0.1 -0.979 24.7-131.0-128.6 121.5 -43.7 13.8 9.2 60 61 A G - 0 0 0 -15,-2.4 -41,-0.2 -2,-0.4 -40,-0.1 -0.392 18.2-170.1 -64.6 144.9 -43.3 16.4 12.0 61 62 A T - 0 0 0 -43,-1.5 10,-0.3 1,-0.2 -42,-0.2 0.600 24.7-133.2-111.6 -16.3 -45.8 19.2 11.8 62 63 A G - 0 0 9 -43,-1.9 2,-0.4 -44,-0.3 -1,-0.2 -0.238 43.2 -56.7 75.6-176.6 -44.6 21.8 14.4 63 64 A M S S+ 0 0 155 4,-0.1 4,-0.3 -2,-0.1 116,-0.1 -0.839 92.7 23.0-108.5 132.4 -47.1 23.4 16.8 64 65 A G S > S- 0 0 6 -2,-0.4 4,-2.3 114,-0.3 3,-0.4 0.051 88.4 -75.4 101.5 150.5 -50.3 25.3 16.0 65 66 A V H > S+ 0 0 6 1,-0.2 4,-2.4 90,-0.2 5,-0.2 0.874 125.0 52.8 -44.7 -48.3 -52.7 25.6 13.1 66 67 A P H > S+ 0 0 89 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.918 111.9 45.3 -63.4 -35.4 -50.4 27.7 10.9 67 68 A S H >> S+ 0 0 31 -3,-0.4 4,-1.6 -4,-0.3 3,-0.6 0.978 115.6 43.6 -74.8 -50.9 -47.5 25.2 11.1 68 69 A I H 3X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.871 109.1 60.2 -63.0 -32.0 -49.5 22.0 10.5 69 70 A S H 3X S+ 0 0 19 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.871 102.1 52.9 -63.6 -38.0 -51.4 23.8 7.7 70 71 A I H S+ 0 0 23 -4,-2.3 4,-2.3 -5,-0.2 5,-1.1 0.900 111.6 52.4 -69.4 -39.3 -47.8 20.5 0.8 75 76 A L H X5S+ 0 0 0 -4,-2.8 6,-2.0 -5,-0.2 4,-0.7 0.925 118.1 38.6 -59.6 -43.3 -48.2 16.7 1.6 76 77 A I H X5S+ 0 0 1 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.953 124.4 35.6 -72.1 -50.0 -51.6 16.8 -0.2 77 78 A Q H <5S+ 0 0 116 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.861 129.8 27.7 -80.2 -39.2 -50.9 19.1 -3.1 78 79 A S H <5S+ 0 0 70 -4,-2.3 -3,-0.2 -5,-0.3 -1,-0.1 0.752 132.5 30.7 -94.9 -28.1 -47.3 18.2 -3.9 79 80 A Y H < S- 0 0 76 80,-0.7 3,-1.2 1,-0.1 110,-0.0 -0.982 71.9-136.0-133.7 143.9 -62.6 16.5 32.1 95 96 A K T 3 S+ 0 0 175 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.865 104.9 63.9 -61.5 -34.5 -62.1 14.1 35.0 96 97 A D T 3 S+ 0 0 88 2,-0.1 2,-0.9 -3,-0.1 -1,-0.2 0.577 82.0 87.6 -72.6 -6.1 -63.8 11.3 33.0 97 98 A V S < S- 0 0 0 -3,-1.2 2,-0.2 77,-0.1 -3,-0.1 -0.832 78.6-149.3 -90.5 107.9 -61.0 11.4 30.5 98 99 A K > - 0 0 103 -2,-0.9 3,-2.1 1,-0.1 102,-0.1 -0.490 20.5-115.4 -84.9 155.2 -58.5 9.1 32.1 99 100 A V T 3 S+ 0 0 29 1,-0.3 101,-0.6 -2,-0.2 -1,-0.1 0.773 116.3 47.6 -58.3 -28.1 -54.7 9.3 31.8 100 101 A R T 3 S+ 0 0 118 99,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.493 85.5 116.0 -90.9 -3.5 -54.6 6.0 30.0 101 102 A D < - 0 0 21 -3,-2.1 2,-0.5 46,-0.1 99,-0.3 -0.442 57.3-144.8 -71.3 133.9 -57.4 6.8 27.5 102 103 A V E -g 147 0A 1 44,-2.1 46,-2.5 -2,-0.1 2,-0.4 -0.902 22.1-144.3 -91.8 126.1 -56.5 7.0 23.8 103 104 A I E -gH 148 198A 0 95,-3.3 95,-2.7 -2,-0.5 2,-0.6 -0.803 13.9-164.0-100.3 129.0 -58.7 9.7 22.2 104 105 A L E -gH 149 197A 0 44,-2.3 46,-1.9 -2,-0.4 2,-0.6 -0.974 21.5-139.9-105.3 117.4 -60.1 9.5 18.7 105 106 A A E -g 150 0A 0 91,-2.1 91,-0.5 -2,-0.6 46,-0.2 -0.665 22.4-178.4 -85.4 116.4 -61.3 13.0 17.7 106 107 A M E S- 0 0 97 44,-2.9 22,-2.6 -2,-0.6 2,-0.3 0.839 75.1 -21.9 -73.6 -31.9 -64.6 13.0 15.7 107 108 A T E -g 151 0A 42 43,-0.6 45,-1.7 20,-0.2 2,-0.3 -0.912 64.2-131.4-164.4 174.3 -64.4 16.8 15.4 108 109 A S E -g 152 0A 5 18,-0.3 45,-0.2 -2,-0.3 2,-0.2 -0.991 3.9-145.5-146.4 140.8 -62.7 19.8 17.0 109 110 A S E -g 153 0A 52 43,-2.4 45,-3.1 -2,-0.3 2,-0.3 -0.445 30.3-171.7 -85.6 167.4 -63.8 23.3 18.2 110 111 A T E -g 154 0A 45 43,-0.2 45,-0.2 -2,-0.2 68,-0.0 -0.996 42.9-150.6-156.9 159.2 -61.3 26.1 17.8 111 112 A D + 0 0 62 43,-1.6 44,-0.1 -2,-0.3 2,-0.1 0.272 69.9 114.4-107.9 8.7 -60.3 29.7 18.5 112 113 A S - 0 0 14 42,-0.6 3,-0.3 1,-0.1 4,-0.3 -0.476 64.5-144.3 -67.0 145.6 -58.4 29.8 15.3 113 114 A Q S > S+ 0 0 133 1,-0.2 4,-2.6 -2,-0.1 5,-0.2 0.363 71.3 108.7 -87.1 4.1 -59.9 32.3 12.8 114 115 A M H > S+ 0 0 41 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.857 83.0 37.9 -55.7 -38.3 -59.0 30.0 9.8 115 116 A N H > S+ 0 0 13 -3,-0.3 4,-3.0 2,-0.2 5,-0.3 0.856 113.0 54.6 -86.0 -30.8 -62.5 28.9 9.1 116 117 A R H > S+ 0 0 155 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.848 103.1 59.9 -65.1 -29.8 -64.2 32.3 9.8 117 118 A V H < S+ 0 0 117 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.894 116.6 32.4 -60.8 -39.0 -61.7 33.7 7.2 118 119 A A H < S+ 0 0 74 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.841 134.9 24.2 -82.3 -36.1 -63.3 31.3 4.7 119 120 A F H >< S- 0 0 98 -4,-3.0 3,-1.5 1,-0.2 2,-0.4 0.481 76.4-167.1-117.8 -11.2 -66.9 31.2 5.9 120 121 A G T 3< S+ 0 0 45 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.1 -0.358 80.7 18.9 61.8-112.3 -67.6 34.4 7.8 121 122 A S T 3 S+ 0 0 132 -2,-0.4 2,-0.4 2,-0.1 -1,-0.3 0.570 108.6 95.7 -72.7 -5.3 -70.9 33.9 9.7 122 123 A V < - 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