==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-OCT-11 3UAX . COMPND 2 MOLECULE: PURINE NUCLEOSIDE PHOSPHORYLASE DEOD-TYPE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR P.DESSANTI,Y.ZHANG,S.ALLEGRINI,M.G.TOZZI,F.SGARRELLA,S.E.EAL . 226 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 10.2 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 . 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 . 15 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 0 1 0 0 2 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 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 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 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 52 0, 0.0 3,-0.4 0, 0.0 73,-0.0 0.000 360.0 360.0 360.0-178.0 35.9 18.4 67.6 2 3 A V + 0 0 121 1,-0.2 3,-0.1 3,-0.0 0, 0.0 0.895 360.0 21.5 -59.2 -41.3 35.0 21.6 65.8 3 4 A H S S+ 0 0 36 67,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.363 119.1 62.8-111.2 3.6 34.5 19.9 62.4 4 5 A I - 0 0 0 -3,-0.4 -1,-0.1 2,-0.1 35,-0.1 -0.986 58.4-162.8-133.8 122.5 33.8 16.3 63.4 5 6 A E + 0 0 110 -2,-0.4 34,-0.1 33,-0.1 -1,-0.1 0.282 45.8 130.8 -92.1 15.0 30.8 15.4 65.5 6 7 A A - 0 0 9 1,-0.1 2,-0.1 3,-0.0 -2,-0.1 -0.323 56.6-122.0 -67.6 145.6 32.0 12.0 66.6 7 8 A K > - 0 0 74 1,-0.1 3,-2.1 -2,-0.0 4,-0.3 -0.467 46.8 -77.9 -75.6 155.8 32.0 10.9 70.2 8 9 A Q T 3 S+ 0 0 141 1,-0.3 -1,-0.1 -2,-0.1 71,-0.1 -0.312 119.7 20.8 -53.6 133.5 35.2 9.8 71.8 9 10 A G T 3 S+ 0 0 75 2,-0.2 -1,-0.3 70,-0.1 70,-0.1 0.254 92.8 103.6 89.3 -9.3 36.2 6.3 70.7 10 11 A E < + 0 0 87 -3,-2.1 2,-0.5 2,-0.1 -2,-0.1 0.664 68.3 70.6 -79.7 -18.6 34.1 6.3 67.5 11 12 A I S S- 0 0 9 -4,-0.3 -2,-0.2 68,-0.1 37,-0.1 -0.884 83.8-127.8-103.6 128.2 37.0 6.8 65.2 12 13 A A - 0 0 13 -2,-0.5 45,-0.1 2,-0.2 44,-0.1 -0.273 19.1-115.9 -70.2 160.8 39.5 4.0 64.8 13 14 A E S S+ 0 0 128 68,-0.2 69,-2.6 42,-0.1 70,-2.4 0.707 104.2 58.4 -71.8 -21.2 43.2 4.4 65.3 14 15 A S E S+a 83 0A 21 41,-0.3 43,-2.5 68,-0.2 2,-0.4 -0.947 73.1 176.2-110.2 132.7 43.8 3.6 61.6 15 16 A I E -ab 84 57A 1 68,-2.5 70,-2.7 -2,-0.4 2,-0.4 -0.996 26.6-142.2-143.0 139.1 42.1 5.8 59.0 16 17 A L E -ab 85 58A 1 41,-2.5 43,-2.6 -2,-0.4 70,-0.2 -0.817 17.6-156.3 -96.6 142.2 41.9 6.3 55.3 17 18 A L E +a 86 0A 0 68,-2.5 70,-0.7 -2,-0.4 2,-0.2 -0.706 15.0 174.8-128.3 78.1 41.7 9.9 54.0 18 19 A P - 0 0 2 0, 0.0 43,-1.6 0, 0.0 44,-0.3 -0.500 33.1-133.6 -71.2 152.3 40.2 10.4 50.6 19 20 A G S S+ 0 0 15 68,-0.4 43,-1.9 41,-0.2 69,-0.1 0.868 91.5 68.1 -71.2 -35.0 39.8 14.0 49.5 20 21 A D S >> S- 0 0 78 1,-0.1 4,-1.4 41,-0.1 3,-1.0 -0.764 70.6-153.5 -91.3 118.1 36.2 13.3 48.3 21 22 A P H 3> S+ 0 0 28 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.817 97.9 60.5 -61.2 -28.1 33.7 12.5 51.1 22 23 A L H 3> S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.803 101.8 53.0 -68.0 -26.8 31.6 10.6 48.5 23 24 A R H <> S+ 0 0 42 -3,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.838 103.8 56.0 -73.8 -32.9 34.7 8.3 48.1 24 25 A A H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.936 108.9 47.6 -58.8 -44.0 34.7 7.8 51.8 25 26 A K H X S+ 0 0 86 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.922 111.8 49.9 -61.4 -45.6 31.1 6.6 51.5 26 27 A Y H X S+ 0 0 52 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.920 111.2 48.7 -59.0 -45.9 32.1 4.3 48.6 27 28 A I H X>S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 5,-0.6 0.931 112.8 47.5 -62.4 -45.8 35.0 2.9 50.5 28 29 A A H X5S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.936 116.5 43.0 -61.2 -47.3 32.9 2.2 53.6 29 30 A E H <5S+ 0 0 125 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.850 120.6 41.3 -67.6 -34.3 30.1 0.6 51.6 30 31 A T H <5S+ 0 0 66 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.871 130.2 17.0 -85.9 -37.3 32.4 -1.5 49.3 31 32 A F H <5S+ 0 0 28 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.654 106.3 74.7-112.7 -23.5 35.1 -2.7 51.7 32 33 A L << - 0 0 14 -4,-1.4 2,-0.3 -5,-0.6 3,-0.2 -0.676 52.2-157.3-106.2 152.7 33.9 -2.4 55.3 33 34 A E E S+C 50 0A 140 17,-2.2 17,-2.6 -2,-0.3 -3,-0.0 -0.780 74.9 29.0-114.1 166.5 31.4 -4.3 57.5 34 35 A D E S- 0 0 127 -2,-0.3 2,-0.3 15,-0.2 -1,-0.2 0.924 87.7-176.5 51.0 52.2 29.6 -3.2 60.7 35 36 A V E + 0 0 58 -3,-0.2 2,-0.4 14,-0.1 14,-0.2 -0.572 20.2 177.8 -90.0 137.6 29.7 0.4 59.4 36 37 A T E -C 48 0A 81 12,-2.4 12,-2.5 -2,-0.3 2,-0.6 -0.994 27.6-129.9-131.7 149.1 28.5 3.5 61.1 37 38 A C E +C 47 0A 55 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.851 24.5 177.9 -94.0 117.2 28.7 7.1 59.9 38 39 A Y E + 0 0 12 8,-1.8 2,-0.3 -2,-0.6 9,-0.2 0.514 61.3 41.5 -99.3 -7.3 30.2 9.2 62.7 39 40 A N E +C 46 0A 0 7,-1.4 7,-1.3 -35,-0.1 -1,-0.2 -0.971 33.5 152.4-149.9 134.8 30.2 12.6 60.9 40 41 A N > + 0 0 92 -2,-0.3 3,-2.4 5,-0.2 5,-0.2 0.214 37.0 136.3-129.2 3.0 28.1 14.7 58.6 41 42 A V G > S- 0 0 44 1,-0.3 3,-2.3 3,-0.2 -38,-0.0 -0.386 88.3 -5.0 -60.7 129.5 29.3 18.2 59.5 42 43 A R G 3 S- 0 0 198 1,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.652 121.8 -76.9 57.9 20.4 29.8 20.2 56.3 43 44 A G G < S+ 0 0 40 -3,-2.4 2,-2.0 1,-0.2 -1,-0.3 0.592 93.5 143.6 70.3 11.1 29.0 17.0 54.4 44 45 A M < - 0 0 20 -3,-2.3 -3,-0.2 -41,-0.1 -1,-0.2 -0.502 43.6-149.6 -90.5 77.8 32.5 15.8 55.2 45 46 A L - 0 0 21 -2,-2.0 15,-2.5 -5,-0.2 2,-0.3 -0.074 20.2-178.9 -55.0 137.6 31.5 12.2 55.7 46 47 A G E -CD 39 59A 0 -7,-1.3 -8,-1.8 13,-0.2 -7,-1.4 -0.997 2.5-177.1-137.8 141.7 33.3 9.9 58.0 47 48 A F E -CD 37 58A 15 11,-2.5 11,-2.4 -2,-0.3 2,-0.4 -0.938 15.0-155.3-135.1 153.0 32.7 6.2 58.8 48 49 A T E +CD 36 57A 3 -12,-2.5 -12,-2.4 -2,-0.3 2,-0.2 -0.996 31.2 138.2-128.5 138.1 34.0 3.4 61.0 49 50 A G E - D 0 56A 0 7,-2.4 7,-2.6 -2,-0.4 2,-0.4 -0.815 47.4 -83.3-155.0-163.4 33.7 -0.2 60.2 50 51 A T E -CD 33 55A 27 -17,-2.6 -17,-2.2 -2,-0.2 2,-0.4 -0.956 28.3-177.3-125.1 132.1 35.6 -3.5 60.2 51 52 A Y E > S- D 0 54A 24 3,-2.9 3,-1.9 -2,-0.4 -19,-0.1 -0.990 77.6 -22.5-130.3 118.3 38.1 -4.9 57.6 52 53 A K T 3 S- 0 0 142 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.873 129.4 -46.2 45.8 47.4 39.5 -8.3 58.2 53 54 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.420 118.6 105.3 87.5 -1.9 38.8 -8.2 61.9 54 55 A K E < S- D 0 51A 121 -3,-1.9 -3,-2.9 2,-0.0 2,-0.3 -0.932 70.2-123.7-118.0 136.9 40.2 -4.8 62.5 55 56 A R E + D 0 50A 120 -2,-0.4 -41,-0.3 -5,-0.2 2,-0.3 -0.544 39.1 170.7 -72.2 136.2 38.3 -1.5 63.1 56 57 A V E - D 0 49A 1 -7,-2.6 -7,-2.4 -2,-0.3 2,-0.2 -0.991 18.5-147.9-149.5 143.0 39.3 1.1 60.5 57 58 A S E -bD 15 48A 2 -43,-2.5 -41,-2.5 -2,-0.3 2,-0.3 -0.694 1.9-157.3-108.8 166.7 37.9 4.5 59.7 58 59 A V E +bD 16 47A 1 -11,-2.4 -11,-2.5 -43,-0.2 2,-0.4 -0.976 14.7 179.7-147.9 127.7 37.6 6.5 56.5 59 60 A Q E - D 0 46A 0 -43,-2.6 -13,-0.2 -2,-0.3 -14,-0.1 -0.992 25.8-128.5-136.8 119.6 37.2 10.3 56.5 60 61 A G - 0 0 0 -15,-2.5 -41,-0.2 -2,-0.4 -40,-0.1 -0.418 19.1-170.9 -61.6 148.7 36.9 12.8 53.6 61 62 A T - 0 0 0 -43,-1.6 10,-0.3 1,-0.2 -42,-0.2 0.552 25.8-132.9-112.8 -15.1 39.4 15.7 53.9 62 63 A G - 0 0 10 -43,-1.9 2,-0.4 -44,-0.3 -1,-0.2 -0.197 42.4 -56.1 71.5-179.2 38.3 18.1 51.2 63 64 A M S S+ 0 0 155 4,-0.1 4,-0.3 5,-0.0 117,-0.1 -0.831 92.0 25.6-105.1 134.4 40.8 19.7 48.8 64 65 A G S > S- 0 0 6 115,-0.5 4,-2.3 -2,-0.4 3,-0.5 0.086 86.7 -78.0 102.1 153.5 43.9 21.6 49.7 65 66 A V H > S+ 0 0 6 1,-0.2 4,-2.3 90,-0.2 5,-0.2 0.865 124.6 52.1 -51.0 -47.0 46.4 21.9 52.5 66 67 A P H > S+ 0 0 90 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.887 111.6 46.0 -64.3 -36.4 44.1 24.1 54.7 67 68 A S H > S+ 0 0 31 -3,-0.5 4,-1.6 -4,-0.3 3,-0.4 0.967 115.4 43.5 -70.7 -52.7 41.2 21.7 54.5 68 69 A I H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.886 108.7 60.6 -62.1 -33.8 43.1 18.5 55.2 69 70 A S H X S+ 0 0 22 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.893 102.1 52.9 -61.8 -39.5 45.1 20.2 58.0 70 71 A I H X S+ 0 0 62 -4,-1.4 4,-2.0 -3,-0.4 -1,-0.2 0.966 114.4 40.4 -56.8 -52.9 41.8 20.9 59.8 71 72 A Y H X S+ 0 0 9 -4,-1.6 4,-2.8 -10,-0.3 5,-0.2 0.911 115.4 49.8 -67.8 -42.6 40.8 17.3 59.7 72 73 A V H X S+ 0 0 1 -4,-3.0 4,-2.5 2,-0.2 5,-0.3 0.924 110.3 50.6 -65.1 -42.5 44.2 15.8 60.4 73 74 A N H X S+ 0 0 50 -4,-2.4 4,-2.8 -5,-0.3 5,-0.4 0.933 114.6 44.6 -56.6 -45.7 44.8 18.1 63.4 74 75 A E H X>S+ 0 0 24 -4,-2.0 4,-2.2 -5,-0.2 5,-0.9 0.914 112.3 50.9 -68.8 -42.4 41.4 17.1 64.9 75 76 A L H X5S+ 0 0 0 -4,-2.8 6,-2.0 3,-0.2 4,-0.8 0.922 118.7 37.5 -59.8 -45.4 41.8 13.4 64.2 76 77 A I H X5S+ 0 0 13 -4,-2.5 4,-0.9 4,-0.2 -2,-0.2 0.954 125.9 34.9 -72.0 -50.8 45.2 13.2 65.8 77 78 A Q H <5S+ 0 0 117 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.902 130.5 27.4 -76.3 -42.6 44.6 15.6 68.7 78 79 A S H <5S+ 0 0 52 -4,-2.2 -3,-0.2 -5,-0.4 -1,-0.2 0.704 130.8 32.5 -94.7 -24.1 41.0 15.0 69.6 79 80 A Y H < - 0 0 110 -2,-0.3 3,-2.3 1,-0.1 103,-0.3 -0.859 24.6 -91.8-115.6 149.3 51.0 6.5 33.2 99 100 A V T 3 S+ 0 0 49 -2,-0.3 103,-0.2 1,-0.3 3,-0.1 -0.274 114.0 26.7 -52.2 139.5 47.3 6.9 34.0 100 101 A R T 3 S+ 0 0 124 101,-2.9 -1,-0.3 1,-0.3 46,-0.2 0.265 88.6 134.3 77.5 -2.5 46.2 4.3 36.5 101 102 A D < - 0 0 11 -3,-2.3 100,-2.6 100,-0.1 2,-0.5 -0.381 55.5-128.7 -63.8 152.0 49.7 4.0 38.0 102 103 A V E -gH 147 200A 0 44,-2.9 46,-2.9 98,-0.2 2,-0.5 -0.927 21.7-161.2-104.0 125.2 49.8 4.0 41.8 103 104 A I E -gH 148 199A 0 96,-3.0 96,-3.0 -2,-0.5 2,-0.6 -0.922 7.1-161.7-108.2 130.4 52.2 6.5 43.3 104 105 A I E -gH 149 198A 0 44,-2.7 46,-1.9 -2,-0.5 2,-0.6 -0.965 24.1-132.7-107.4 117.9 53.4 6.2 46.9 105 106 A A E -g 150 0A 0 92,-2.1 92,-0.4 -2,-0.6 46,-0.2 -0.613 25.6-179.3 -79.4 116.0 54.7 9.5 48.0 106 107 A M E S- 0 0 99 44,-2.7 22,-2.6 -2,-0.6 2,-0.3 0.886 76.9 -21.2 -68.0 -43.4 58.1 9.4 49.8 107 108 A T E -gI 151 127A 34 43,-0.8 45,-1.0 20,-0.2 2,-0.4 -0.869 67.6-127.1-155.6 177.4 58.0 13.2 50.2 108 109 A A E -g 152 0A 6 18,-0.8 45,-0.2 -2,-0.3 2,-0.2 -0.996 2.4-148.6-145.7 138.3 56.3 16.2 48.7 109 110 A C E -g 153 0A 40 43,-3.0 45,-3.3 -2,-0.4 2,-0.3 -0.544 28.8-169.7 -86.0 165.2 57.3 19.6 47.3 110 111 A T E -g 154 0A 48 43,-0.2 45,-0.2 -2,-0.2 69,-0.0 -0.996 42.4-153.6-157.2 154.1 54.9 22.5 47.7 111 112 A D S S+ 0 0 63 43,-1.1 44,-0.1 -2,-0.3 2,-0.1 0.299 71.0 112.2-100.5 3.8 54.0 26.0 46.8 112 113 A S - 0 0 13 42,-0.5 3,-0.2 1,-0.1 4,-0.2 -0.429 64.5-144.5 -69.1 151.8 52.2 26.4 50.1 113 114 A N S > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.1 5,-0.2 0.342 72.1 105.9 -89.7 2.3 53.6 28.7 52.8 114 115 A M H > S+ 0 0 40 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.868 85.4 36.2 -61.5 -38.9 52.6 26.5 55.6 115 116 A N H > S+ 0 0 10 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.807 110.2 60.4 -85.1 -27.4 56.1 25.2 56.4 116 117 A R H 4 S+ 0 0 166 -4,-0.2 -2,-0.2 1,-0.2 6,-0.2 0.864 106.2 50.1 -63.1 -33.3 58.0 28.4 55.7 117 118 A L H < S+ 0 0 135 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.863 114.9 43.0 -72.6 -33.6 55.9 30.0 58.4 118 119 A T H < S+ 0 0 92 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.825 128.2 27.6 -78.4 -34.7 56.8 27.2 60.9 119 120 A F S >< S- 0 0 76 -4,-2.6 3,-2.4 3,-0.2 -1,-0.2 -0.621 83.8-157.9-129.5 69.3 60.5 27.0 60.0 120 121 A P T 3 S+ 0 0 100 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.278 78.8 14.8 -59.9 130.0 61.5 30.4 58.7 121 122 A G T 3 S+ 0 0 87 1,-0.3 2,-0.3 -5,-0.1 -5,-0.1 0.234 110.8 97.7 93.9 -11.6 64.6 30.3 56.6 122 123 A F < - 0 0 152 -3,-2.4 2,-0.7 -6,-0.2 -1,-0.3 -0.794 68.2-135.0-112.2 153.9 64.4 26.5 56.0 123 124 A D - 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