==== 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 13-JAN-12 4DAN . COMPND 2 MOLECULE: PURINE NUCLEOSIDE PHOSPHORYLASE DEOD-TYPE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR P.O.GIUSEPPE,N.H.MARTINS,A.N.MEZA,M.T.MURAKAMI . 460 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 2 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 . 38 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 1 0 3 0 0 0 2 2 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 2 1 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 3 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 2 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 66 0, 0.0 3,-0.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 161.9 39.6 26.7 -3.2 2 3 A V T 3 + 0 0 101 1,-0.2 3,-0.1 3,-0.1 0, 0.0 0.703 360.0 23.0 -59.6 -29.6 41.7 24.2 -1.1 3 4 A H T 3 S+ 0 0 6 67,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.360 114.1 65.9-119.9 -0.1 40.1 24.9 2.4 4 5 A I < - 0 0 3 -3,-0.8 -1,-0.1 2,-0.1 35,-0.1 -0.989 61.4-157.6-132.0 121.2 36.6 26.4 1.6 5 6 A G + 0 0 47 -2,-0.4 2,-0.2 36,-0.1 -3,-0.1 0.034 49.0 125.1 -90.1 29.3 34.0 24.3 -0.2 6 7 A A - 0 0 9 -5,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.546 50.2-137.0 -95.9 152.3 31.9 27.1 -1.7 7 8 A E > - 0 0 135 -2,-0.2 3,-1.4 1,-0.2 4,-0.3 -0.457 48.2 -65.7 -87.4 170.6 30.9 27.7 -5.2 8 9 A K T 3 S+ 0 0 196 1,-0.2 -1,-0.2 -2,-0.2 71,-0.1 -0.316 121.3 17.6 -45.9 132.8 30.9 31.0 -7.0 9 10 A G T 3 S+ 0 0 73 2,-0.2 -1,-0.2 -3,-0.1 70,-0.0 0.229 92.9 101.1 87.1 -11.6 28.4 33.5 -5.5 10 11 A Q S < S+ 0 0 56 -3,-1.4 2,-0.5 28,-0.1 -2,-0.1 0.665 70.5 73.3 -75.1 -18.9 27.8 31.7 -2.1 11 12 A I S S- 0 0 17 -4,-0.3 -2,-0.2 46,-0.1 4,-0.1 -0.863 80.0-126.2-109.9 133.1 30.1 34.1 -0.2 12 13 A A - 0 0 6 -2,-0.5 44,-0.1 2,-0.2 70,-0.1 -0.073 19.0-118.3 -68.9 164.2 29.3 37.7 0.6 13 14 A D S S+ 0 0 106 42,-0.2 70,-2.3 68,-0.2 69,-1.8 0.820 107.5 53.9 -63.8 -32.3 31.3 40.8 -0.2 14 15 A T E S-a 83 0A 12 41,-0.5 43,-2.5 68,-0.2 2,-0.4 -0.888 72.6-176.2-115.2 131.8 31.4 41.2 3.6 15 16 A V E -ab 84 57A 0 68,-2.5 70,-2.4 -2,-0.4 2,-0.3 -0.990 16.9-148.9-138.9 124.8 32.6 38.5 5.9 16 17 A L E -ab 85 58A 2 41,-2.9 43,-2.9 -2,-0.4 70,-0.2 -0.700 14.6-157.8 -85.8 147.2 32.9 38.2 9.6 17 18 A L + 0 0 0 68,-2.2 70,-0.5 -2,-0.3 43,-0.2 -0.715 15.8 172.3-138.1 77.1 35.7 36.2 11.0 18 19 A P - 0 0 2 0, 0.0 43,-1.1 0, 0.0 44,-0.3 -0.501 36.2-128.5 -72.2 156.1 35.4 34.7 14.4 19 20 A G S S+ 0 0 9 68,-0.4 43,-2.2 41,-0.2 42,-0.4 0.917 91.4 65.6 -68.5 -42.7 38.1 32.3 15.5 20 21 A D > - 0 0 25 40,-0.2 4,-1.2 41,-0.1 3,-0.2 -0.664 69.6-150.9 -91.5 126.0 35.7 29.6 16.6 21 22 A P H > S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.810 100.0 55.7 -65.2 -28.3 33.5 27.9 14.0 22 23 A L H > S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 5,-0.0 0.799 106.1 50.5 -73.7 -29.2 30.7 27.3 16.7 23 24 A R H > S+ 0 0 97 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.784 108.4 55.6 -69.3 -28.0 30.7 31.0 17.4 24 25 A A H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.914 110.1 42.6 -67.9 -49.9 30.4 31.4 13.5 25 26 A K H X S+ 0 0 86 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.903 113.4 54.8 -57.9 -45.1 27.2 29.2 13.5 26 27 A F H X S+ 0 0 80 -4,-1.8 4,-2.2 2,-0.2 5,-0.3 0.938 111.2 43.1 -54.0 -51.9 26.1 31.0 16.6 27 28 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 5,-0.5 0.900 116.4 48.4 -57.6 -47.3 26.4 34.5 14.8 28 29 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.935 116.1 41.6 -63.1 -48.8 24.8 33.2 11.6 29 30 A E H < S+ 0 0 125 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.841 120.0 41.4 -73.0 -34.4 21.8 31.5 13.3 30 31 A T H < S+ 0 0 81 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.840 128.2 22.7 -83.5 -38.2 21.1 34.3 15.9 31 32 A Y H < S+ 0 0 38 -4,-2.0 2,-0.4 -5,-0.3 -3,-0.2 0.634 108.9 71.9-108.6 -17.2 21.5 37.5 13.8 32 33 A L < - 0 0 9 -4,-1.5 2,-0.3 -5,-0.5 3,-0.2 -0.834 59.8-148.4-110.5 145.4 21.1 36.5 10.1 33 34 A E E S+C 50 0A 137 17,-2.3 17,-2.9 -2,-0.4 -3,-0.0 -0.727 77.9 22.6 -97.4 154.0 18.0 35.5 8.1 34 35 A N E S- 0 0 132 -2,-0.3 2,-0.4 15,-0.2 -1,-0.2 0.947 84.6-174.1 58.2 60.8 18.0 33.1 5.2 35 36 A V E - 0 0 51 -3,-0.2 2,-0.4 14,-0.1 14,-0.3 -0.711 18.2-176.0-101.3 129.7 21.2 31.3 6.2 36 37 A E E -C 48 0A 128 12,-2.6 12,-1.9 -2,-0.4 2,-0.9 -0.995 26.5-131.9-122.7 129.7 23.1 28.6 4.2 37 38 A C E +C 47 0A 52 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.715 27.4 179.6 -76.9 108.6 26.2 26.7 5.5 38 39 A Y E + 0 0 10 8,-1.7 2,-0.3 -2,-0.9 9,-0.2 0.559 60.4 38.8 -91.8 -11.4 28.5 27.0 2.5 39 40 A N E +C 46 0A 4 7,-1.3 7,-1.2 -35,-0.1 -1,-0.2 -0.964 37.1 154.6-149.1 129.5 31.5 25.2 4.0 40 41 A E > + 0 0 125 -2,-0.3 3,-2.5 5,-0.2 5,-0.1 0.269 37.2 133.5-126.3 3.4 32.1 22.1 6.2 41 42 A V G > S- 0 0 62 1,-0.3 3,-1.5 3,-0.2 -36,-0.1 -0.394 88.9 -1.6 -59.3 126.3 35.7 21.2 5.1 42 43 A R G 3 S- 0 0 64 1,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.610 118.8 -82.9 60.4 19.7 37.7 20.6 8.2 43 44 A G G < S+ 0 0 4 -3,-2.5 2,-0.9 1,-0.2 -1,-0.3 0.790 94.8 136.3 53.1 28.9 34.7 21.5 10.3 44 45 A M < - 0 0 15 -3,-1.5 -1,-0.2 -41,-0.1 -3,-0.2 -0.815 48.0-151.3-102.3 87.6 35.6 25.1 9.8 45 46 A Y - 0 0 40 -2,-0.9 15,-1.9 -5,-0.1 2,-0.4 -0.308 20.2-172.9 -73.1 145.2 32.1 26.3 9.1 46 47 A G E -CD 39 59A 0 -7,-1.2 -8,-1.7 13,-0.2 -7,-1.3 -0.999 5.9-173.3-134.6 136.2 31.1 29.2 7.0 47 48 A F E -CD 37 58A 14 11,-2.9 11,-2.8 -2,-0.4 2,-0.4 -0.897 10.9-156.5-127.0 152.5 27.5 30.6 6.7 48 49 A T E +CD 36 57A 3 -12,-1.9 -12,-2.6 -2,-0.3 2,-0.2 -1.000 28.8 138.5-128.0 133.8 25.9 33.2 4.5 49 50 A G E - D 0 56A 0 7,-1.7 7,-2.7 -2,-0.4 2,-0.3 -0.762 45.2 -92.7-146.0-161.5 22.6 35.0 5.4 50 51 A T E -CD 33 55A 32 -17,-2.9 -17,-2.3 5,-0.3 2,-0.3 -0.924 20.9-170.4-125.3 147.8 21.2 38.5 5.2 51 52 A Y E > S- D 0 54A 47 3,-1.9 3,-0.7 -2,-0.3 -19,-0.1 -0.871 81.5 -18.9-138.7 107.7 21.1 41.4 7.7 52 53 A K T 3 S- 0 0 172 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.921 131.3 -45.4 58.4 50.6 18.8 44.3 6.8 53 54 A G T 3 S+ 0 0 82 1,-0.1 2,-0.4 0, 0.0 -1,-0.2 0.247 118.0 107.0 88.9 -8.7 18.7 43.4 3.1 54 55 A K E < S- D 0 51A 121 -3,-0.7 -3,-1.9 -42,-0.0 -1,-0.1 -0.886 71.5-117.1-120.1 127.5 22.5 42.7 2.8 55 56 A K E - D 0 50A 106 -2,-0.4 -41,-0.5 -5,-0.2 2,-0.4 -0.344 32.3-175.2 -58.9 128.2 24.4 39.4 2.4 56 57 A I E - D 0 49A 9 -7,-2.7 -7,-1.7 -44,-0.1 2,-0.2 -0.974 8.5-156.9-126.9 117.8 26.7 38.8 5.4 57 58 A S E -bD 15 48A 0 -43,-2.5 -41,-2.9 -2,-0.4 2,-0.4 -0.643 2.2-160.1 -89.1 151.2 29.1 35.8 5.4 58 59 A V E -bD 16 47A 0 -11,-2.8 -11,-2.9 -2,-0.2 2,-0.4 -0.994 13.9-179.9-135.5 122.9 30.4 34.4 8.6 59 60 A Q E - D 0 46A 0 -43,-2.9 -13,-0.2 -2,-0.4 2,-0.2 -0.989 24.7-133.2-135.9 130.1 33.5 32.3 8.5 60 61 A G - 0 0 0 -15,-1.9 -41,-0.2 -2,-0.4 -40,-0.2 -0.521 18.5-176.9 -77.0 146.6 35.6 30.4 11.1 61 62 A T - 0 0 0 -43,-1.1 10,-0.2 -42,-0.4 -42,-0.2 0.580 27.6-135.8-117.7 -15.8 39.3 31.0 10.8 62 63 A G - 0 0 8 -43,-2.2 2,-0.4 -44,-0.3 -1,-0.2 -0.310 42.2 -50.6 73.2-169.6 40.8 28.8 13.6 63 64 A M S S+ 0 0 11 230,-0.1 234,-0.4 -2,-0.1 4,-0.3 -0.854 92.8 24.2-110.6 134.5 43.6 30.0 15.9 64 65 A G S > S- 0 0 0 -2,-0.4 4,-2.5 232,-0.2 3,-0.4 0.070 85.5 -79.1 102.4 153.5 46.8 31.6 14.9 65 66 A V H > S+ 0 0 0 90,-0.3 4,-2.0 1,-0.2 5,-0.1 0.828 124.6 53.1 -47.7 -51.8 48.4 33.6 12.1 66 67 A P H > S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 322,-0.3 0.881 112.7 46.4 -55.1 -38.3 49.0 30.6 9.8 67 68 A S H >> S+ 0 0 2 -3,-0.4 4,-1.5 226,-0.3 3,-0.9 0.985 113.8 43.0 -74.7 -58.5 45.3 29.5 10.1 68 69 A I H 3X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.843 110.5 61.3 -57.1 -30.7 43.6 32.9 9.6 69 70 A S H 3X S+ 0 0 2 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.851 101.0 51.2 -63.5 -37.2 46.1 33.5 6.7 70 71 A I H S+ 0 0 1 -4,-1.5 4,-1.8 2,-0.2 5,-1.0 0.850 112.3 51.3 -77.8 -39.8 41.3 32.2 -0.1 75 76 A L H X5S+ 0 0 0 -4,-2.9 6,-1.7 3,-0.2 4,-1.0 0.961 120.0 37.7 -60.4 -49.4 38.4 34.5 0.8 76 77 A I H X5S+ 0 0 1 -4,-2.5 4,-1.2 4,-0.2 -2,-0.2 0.986 125.5 35.1 -63.4 -60.9 40.2 37.3 -0.9 77 78 A Q H <5S+ 0 0 126 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.910 129.5 28.8 -69.6 -45.3 41.8 35.5 -3.9 78 79 A S H <5S+ 0 0 69 -4,-1.8 -1,-0.2 -5,-0.3 -3,-0.2 0.756 132.0 31.4 -89.1 -25.0 39.1 32.9 -4.7 79 80 A Y H < S- 0 0 76 80,-0.8 3,-1.4 1,-0.1 110,-0.0 -0.936 73.1-134.0-124.5 150.3 46.2 46.7 31.1 95 96 A K T 3 S+ 0 0 173 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.884 106.4 60.4 -62.5 -40.7 44.1 47.8 34.1 96 97 A D T 3 S+ 0 0 87 2,-0.1 2,-0.7 1,-0.0 -1,-0.3 0.380 86.2 86.6 -74.7 5.5 42.6 50.7 32.1 97 98 A V S < S- 0 0 0 -3,-1.4 2,-0.2 77,-0.1 -5,-0.0 -0.953 75.3-157.7 -97.4 115.1 41.1 48.2 29.7 98 99 A K > - 0 0 106 -2,-0.7 3,-1.1 1,-0.1 102,-0.1 -0.559 26.3-108.7 -99.8 163.0 37.9 47.2 31.4 99 100 A V T 3 S+ 0 0 26 1,-0.3 101,-0.7 -2,-0.2 -1,-0.1 0.749 115.9 45.5 -64.7 -27.4 36.0 44.1 30.9 100 101 A R T 3 S+ 0 0 102 99,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.568 83.1 115.3 -91.7 -15.3 33.1 45.7 29.0 101 102 A D < - 0 0 29 -3,-1.1 2,-0.6 46,-0.1 99,-0.3 -0.400 59.9-142.4 -62.6 124.6 35.2 47.9 26.6 102 103 A V E -g 147 0A 0 44,-2.5 46,-2.9 -2,-0.2 2,-0.4 -0.805 21.1-146.5 -85.0 121.8 34.9 46.9 23.0 103 104 A I E -gH 148 198A 0 95,-2.6 95,-2.5 -2,-0.6 2,-0.5 -0.735 14.2-165.8 -93.7 135.5 38.3 47.3 21.4 104 105 A L E -gH 149 197A 0 44,-2.1 46,-1.7 -2,-0.4 2,-0.7 -0.987 22.9-133.1-112.7 126.7 38.9 48.3 17.7 105 106 A A E +g 150 0A 0 91,-2.0 91,-0.4 -2,-0.5 46,-0.2 -0.718 25.5 178.2 -86.1 117.2 42.5 47.6 16.6 106 107 A M E S- 0 0 100 44,-2.3 22,-2.0 -2,-0.7 2,-0.3 0.869 77.1 -19.1 -69.5 -40.4 44.3 50.5 14.7 107 108 A T E -gI 151 127A 44 43,-0.5 45,-1.6 20,-0.2 2,-0.3 -0.920 63.8-133.7-159.3 173.1 47.3 48.3 14.5 108 109 A S E -g 152 0A 3 18,-0.7 45,-0.2 -2,-0.3 2,-0.2 -0.991 3.3-149.4-148.0 134.3 49.0 45.3 15.9 109 110 A S E -g 153 0A 54 43,-2.2 45,-3.3 -2,-0.3 2,-0.3 -0.519 28.6-173.2 -87.7 164.9 52.5 44.3 17.1 110 111 A T E -g 154 0A 41 43,-0.2 45,-0.2 -2,-0.2 68,-0.0 -0.992 43.1-147.1-156.5 155.5 53.5 40.7 16.7 111 112 A D + 0 0 21 43,-1.3 44,-0.1 -2,-0.3 232,-0.1 0.280 69.7 120.6-101.7 7.0 56.1 38.1 17.5 112 113 A S - 0 0 4 42,-0.5 4,-0.4 1,-0.1 3,-0.3 -0.402 58.8-150.4 -69.0 141.5 55.1 36.5 14.1 113 114 A Q S > S+ 0 0 22 1,-0.2 4,-3.0 2,-0.1 5,-0.3 0.531 71.7 103.6 -89.4 -2.2 57.9 36.2 11.6 114 115 A M H > S+ 0 0 3 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.868 86.7 35.9 -53.0 -46.2 55.5 36.5 8.7 115 116 A N H >> S+ 0 0 10 -3,-0.3 4,-2.5 2,-0.2 3,-0.7 0.885 113.0 54.8 -79.2 -41.3 56.4 40.1 7.9 116 117 A R H 3> S+ 0 0 134 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.893 105.6 58.0 -52.9 -38.2 60.1 39.9 8.7 117 118 A V H 3< S+ 0 0 40 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.803 114.2 37.4 -58.3 -32.6 60.0 37.0 6.1 118 119 A A H << S+ 0 0 42 -3,-0.7 -2,-0.2 -4,-0.7 -1,-0.2 0.825 130.0 27.3 -84.3 -34.2 58.5 39.6 3.6 119 120 A F H >< S- 0 0 94 -4,-2.5 2,-0.6 1,-0.2 3,-0.5 0.365 76.4-155.2-120.4 -2.5 60.6 42.7 4.5 120 121 A G T 3< S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.1 -0.422 84.9 11.1 62.2-105.8 64.0 41.8 6.1 121 122 A S T 3 S+ 0 0 132 -2,-0.6 2,-0.4 2,-0.1 -1,-0.2 0.030 107.2 100.7 -96.7 22.2 65.0 44.8 8.2 122 123 A V < - 0 0 75 -3,-0.5 2,-0.8 -7,-0.1 -3,-0.2 -0.906 64.4-142.2-102.9 136.6 61.7 46.6 8.2 123 124 A D - 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