==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JAN-10 3LBA . COMPND 2 MOLECULE: PUTATIVE PURINE NUCLEOSIDE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR X.-D.SU,Q.M.HOU,H.F.WANG,X.LIU . 260 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11413.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 8.5 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 . 1 0.4 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 . 26 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 0 0 0 1 1 0 0 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 1 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 . 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 94 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 168.9 13.2 -34.3 -19.7 2 2 A S H > + 0 0 80 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.919 360.0 46.0 -46.5 -58.8 9.5 -34.4 -20.6 3 3 A L H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.928 112.1 51.6 -57.0 -49.5 8.1 -33.1 -17.2 4 4 A L H > S+ 0 0 24 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.921 106.9 51.3 -59.8 -46.1 10.6 -30.3 -17.0 5 5 A K H X S+ 0 0 136 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.914 111.1 49.6 -58.5 -41.9 9.9 -28.9 -20.5 6 6 A K H X S+ 0 0 46 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.914 108.6 53.5 -56.8 -43.9 6.1 -28.9 -19.6 7 7 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.963 114.3 41.8 -58.8 -53.2 7.0 -27.1 -16.4 8 8 A Y H X S+ 0 0 66 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.868 114.0 50.6 -63.4 -37.9 8.8 -24.4 -18.5 9 9 A E H X S+ 0 0 103 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.954 113.0 44.8 -65.2 -46.8 6.3 -24.2 -21.2 10 10 A T H X S+ 0 0 0 -4,-3.1 4,-1.2 1,-0.2 -2,-0.2 0.880 111.4 55.2 -67.2 -37.1 3.4 -23.7 -18.8 11 11 A R H X S+ 0 0 72 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.902 110.3 45.4 -58.2 -44.5 5.4 -21.2 -16.8 12 12 A D H X S+ 0 0 81 -4,-2.1 4,-3.5 1,-0.3 5,-0.3 0.962 109.9 54.7 -68.5 -46.3 6.1 -19.1 -20.0 13 13 A F H X S+ 0 0 57 -4,-2.6 4,-1.0 1,-0.2 -1,-0.3 0.843 112.1 43.8 -46.3 -36.3 2.5 -19.3 -21.0 14 14 A L H X>S+ 0 0 0 -4,-1.2 5,-2.6 2,-0.2 4,-0.7 0.912 111.2 52.0 -89.3 -41.0 1.5 -18.0 -17.7 15 15 A T H ><5S+ 0 0 74 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.954 110.5 50.7 -49.6 -54.7 4.1 -15.3 -17.6 16 16 A A H 3<5S+ 0 0 89 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.752 103.7 58.3 -54.3 -31.6 2.9 -14.2 -21.1 17 17 A K H 3<5S- 0 0 108 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.607 132.6 -92.0 -79.0 -11.4 -0.7 -14.1 -19.8 18 18 A G T <<5S+ 0 0 41 -3,-1.5 2,-1.6 -4,-0.7 -3,-0.2 0.605 75.1 149.4 115.4 18.7 0.5 -11.6 -17.3 19 19 A V < + 0 0 1 -5,-2.6 -1,-0.2 1,-0.2 -2,-0.1 -0.597 24.9 168.5 -83.3 87.5 1.4 -13.8 -14.3 20 20 A Q - 0 0 145 -2,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.974 53.4 -20.5 -71.8 -71.6 4.1 -11.5 -13.1 21 21 A K - 0 0 114 49,-0.1 -1,-0.2 78,-0.0 48,-0.2 -0.470 61.6-174.1-148.9 62.8 5.6 -12.0 -9.7 22 22 A P - 0 0 5 0, 0.0 48,-0.2 0, 0.0 3,-0.1 -0.416 6.5-172.2 -57.4 138.4 3.4 -14.0 -7.4 23 23 A E + 0 0 50 46,-2.4 78,-3.6 1,-0.2 79,-1.3 0.745 67.3 46.5 -95.5 -39.4 4.8 -14.2 -3.9 24 24 A F E -ab 70 102A 0 45,-2.9 47,-3.1 76,-0.2 2,-0.3 -0.912 63.7-147.1-117.3 129.9 2.3 -16.8 -2.5 25 25 A G E -ab 71 103A 0 77,-3.3 79,-2.8 -2,-0.5 2,-0.4 -0.662 23.9-167.1 -76.0 138.2 0.8 -20.0 -3.7 26 26 A L E -ab 72 104A 2 45,-2.8 47,-2.8 -2,-0.3 2,-0.8 -0.859 12.4-174.7-135.4 103.2 -2.8 -20.3 -2.4 27 27 A I E -ab 73 105A 4 77,-3.2 79,-3.0 -2,-0.4 2,-0.8 -0.837 11.6-160.8-101.7 113.1 -4.7 -23.6 -2.5 28 28 A L E -a 74 0A 4 45,-2.2 47,-0.9 -2,-0.8 4,-0.2 -0.761 11.3-162.4 -97.3 109.7 -8.3 -23.0 -1.4 29 29 A G - 0 0 3 -2,-0.8 78,-0.2 1,-0.2 4,-0.1 -0.552 50.7 -22.2 -93.3 159.8 -9.9 -26.2 -0.4 30 30 A S S S- 0 0 85 1,-0.2 -1,-0.2 -2,-0.2 195,-0.1 0.574 133.5 -4.4 8.2 101.3 -13.6 -27.1 0.0 31 31 A G S S+ 0 0 41 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.866 107.2 90.2 58.6 44.2 -15.4 -23.8 0.6 32 32 A L > + 0 0 3 -4,-0.2 3,-0.7 74,-0.1 4,-0.2 -0.014 61.8 100.7-124.8 10.3 -12.6 -21.3 0.7 33 33 A G G > + 0 0 17 1,-0.2 3,-2.0 2,-0.2 4,-0.2 0.887 69.4 64.0 -53.8 -41.6 -13.2 -21.1 -3.0 34 34 A E G > S+ 0 0 79 1,-0.3 3,-3.1 2,-0.2 4,-0.4 0.795 84.0 73.4 -53.9 -39.2 -15.2 -17.9 -2.5 35 35 A L G X S+ 0 0 1 -3,-0.7 3,-0.5 1,-0.3 -1,-0.3 0.628 80.1 73.0 -54.5 -16.9 -12.1 -16.0 -1.2 36 36 A A G X S+ 0 0 6 -3,-2.0 3,-1.0 1,-0.2 -1,-0.3 0.718 85.7 70.5 -71.5 -21.2 -10.9 -16.0 -4.8 37 37 A E G < S+ 0 0 138 -3,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.825 91.8 56.0 -46.7 -48.9 -13.7 -13.3 -5.3 38 38 A E G < S+ 0 0 69 -3,-0.5 2,-0.4 -4,-0.4 28,-0.3 0.239 78.7 119.5 -84.4 13.8 -11.8 -10.8 -3.3 39 39 A I X - 0 0 11 -3,-1.0 3,-0.7 26,-0.1 26,-0.2 -0.687 60.8-129.2 -84.2 131.5 -8.7 -11.0 -5.4 40 40 A E E 3 S-C 64 0A 124 24,-4.2 24,-2.5 -2,-0.4 3,-0.2 -0.538 79.6 -1.5 -90.8 144.3 -7.8 -7.6 -7.0 41 41 A N E 3 S- 0 0 172 -2,-0.2 -1,-0.2 22,-0.2 2,-0.2 0.892 95.2-159.0 45.7 46.6 -7.0 -7.0 -10.7 42 42 A A E < - 0 0 44 -3,-0.7 2,-0.7 -5,-0.1 21,-0.2 -0.322 24.6-154.1 -66.0 120.6 -7.6 -10.7 -11.1 43 43 A L E -C 62 0A 42 19,-3.7 19,-2.4 -2,-0.2 2,-0.6 -0.868 24.4-166.7 -81.3 116.5 -6.2 -12.8 -14.0 44 44 A V E +C 61 0A 75 -2,-0.7 2,-0.4 17,-0.2 17,-0.2 -0.930 9.3 179.7-115.7 114.6 -8.7 -15.7 -14.0 45 45 A L E -C 60 0A 18 15,-3.2 15,-2.5 -2,-0.6 2,-0.2 -0.940 26.2-127.6-120.5 136.8 -8.0 -18.8 -16.1 46 46 A N E > -C 59 0A 75 -2,-0.4 3,-1.5 13,-0.2 4,-0.3 -0.499 23.2-126.9 -74.3 145.4 -9.9 -22.0 -16.6 47 47 A Y G > S+ 0 0 4 11,-2.3 3,-1.7 1,-0.3 7,-1.3 0.886 108.7 61.2 -57.8 -38.5 -7.9 -25.1 -15.9 48 48 A A G 3 S+ 0 0 67 10,-0.3 -1,-0.3 1,-0.3 7,-0.2 0.670 100.5 53.7 -66.2 -17.3 -8.9 -26.4 -19.4 49 49 A D G < S+ 0 0 111 -3,-1.5 -1,-0.3 5,-0.1 -2,-0.2 0.407 87.0 94.7 -98.6 2.5 -7.2 -23.5 -21.1 50 50 A I S X> S- 0 0 4 -3,-1.7 3,-1.6 -4,-0.3 4,-0.9 -0.787 79.3-123.7-100.6 122.0 -3.8 -24.0 -19.4 51 51 A P T 34 S+ 0 0 43 0, 0.0 -2,-0.1 0, 0.0 -38,-0.1 -0.441 92.7 11.6 -72.3 145.9 -1.5 -26.0 -21.4 52 52 A N T 34 S+ 0 0 62 1,-0.1 -42,-0.1 -2,-0.1 38,-0.0 0.630 123.5 69.3 75.4 10.4 -0.1 -29.2 -19.7 53 53 A W T <4 + 0 0 14 -3,-1.6 -5,-0.1 -6,-0.2 -1,-0.1 0.600 68.3 165.5-122.7 -77.7 -2.6 -28.7 -16.9 54 54 A G < - 0 0 26 -7,-1.3 2,-0.8 -4,-0.9 -6,-0.2 -0.044 48.1 -24.2 83.6 176.4 -6.2 -29.4 -18.2 55 55 A R 0 0 82 -7,-0.2 -1,-0.0 1,-0.2 -9,-0.0 -0.501 360.0 360.0 -70.5 101.2 -9.5 -30.0 -16.4 56 56 A S 0 0 59 -2,-0.8 22,-0.4 19,-0.1 -1,-0.2 0.692 360.0 360.0 -26.1 360.0 -9.1 -31.3 -12.8 57 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 58 63 A G 0 0 49 0, 0.0 -11,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 108.5 -11.7 -25.4 -11.7 59 64 A K E -CD 46 74A 64 15,-2.2 15,-3.1 -13,-0.2 2,-0.4 -0.948 360.0-147.7-131.6 150.5 -9.8 -22.1 -11.9 60 65 A L E -CD 45 73A 2 -15,-2.5 -15,-3.2 -2,-0.3 2,-0.4 -0.956 26.2-168.5-107.5 131.3 -6.4 -20.5 -11.5 61 66 A I E -CD 44 72A 7 11,-3.1 11,-2.7 -2,-0.4 2,-0.4 -0.963 9.6-175.8-137.2 119.8 -6.4 -16.9 -10.3 62 67 A Y E +CD 43 71A 15 -19,-2.4 -19,-3.7 -2,-0.4 2,-0.3 -0.854 36.8 80.0-111.5 139.5 -3.6 -14.3 -10.1 63 68 A G E S- D 0 70A 3 7,-1.3 7,-2.0 -2,-0.4 2,-0.4 -0.978 77.3 -35.9 161.7-155.3 -3.8 -10.7 -8.7 64 69 A E E +CD 40 69A 70 -24,-2.5 -24,-4.2 -2,-0.3 2,-0.4 -0.757 45.6 170.9-101.9 138.1 -3.6 -9.0 -5.3 65 70 A L E > S- D 0 68A 2 3,-1.9 3,-2.8 -2,-0.4 -26,-0.1 -0.987 75.2 -12.3-141.0 132.2 -5.1 -10.2 -2.0 66 71 A A T 3 S- 0 0 32 -2,-0.4 3,-0.1 1,-0.3 -27,-0.1 0.764 128.7 -56.4 49.9 28.8 -4.6 -8.7 1.3 67 72 A G T 3 S+ 0 0 49 1,-0.3 -1,-0.3 192,-0.0 2,-0.3 0.447 116.0 103.4 87.5 -1.2 -1.7 -6.6 -0.2 68 73 A R E < S- D 0 65A 39 -3,-2.8 -3,-1.9 -45,-0.0 2,-0.6 -0.784 76.4-109.2-113.8 157.3 0.3 -9.6 -1.6 69 74 A K E - D 0 64A 48 -2,-0.3 -45,-2.9 -5,-0.2 -46,-2.4 -0.761 46.8-178.9 -79.6 120.6 0.8 -11.2 -5.0 70 75 A V E -aD 24 63A 0 -7,-2.0 -7,-1.3 -2,-0.6 2,-0.5 -0.919 30.5-155.9-123.0 147.8 -0.9 -14.5 -4.9 71 76 A L E -aD 25 62A 1 -47,-3.1 -45,-2.8 -2,-0.4 2,-0.4 -0.936 30.9-168.9-116.4 103.2 -1.4 -17.4 -7.3 72 77 A A E -aD 26 61A 0 -11,-2.7 -11,-3.1 -2,-0.5 2,-0.5 -0.777 19.9-154.8-103.0 137.2 -4.6 -19.1 -6.1 73 78 A L E -aD 27 60A 4 -47,-2.8 -45,-2.2 -2,-0.4 2,-0.7 -0.939 9.8-171.7-104.2 119.6 -6.1 -22.4 -7.1 74 79 A Q E S+aD 28 59A 49 -15,-3.1 -15,-2.2 -2,-0.5 2,-0.1 -0.897 75.7 16.6-110.2 104.4 -9.8 -22.5 -6.7 75 80 A G S S- 0 0 33 -47,-0.9 2,-0.3 -2,-0.7 -47,-0.1 0.105 89.2-151.0 93.7 127.3 -10.9 -26.0 -7.3 76 81 A R - 0 0 14 -2,-0.1 2,-0.2 -3,-0.1 12,-0.1 -0.958 18.9 -91.9-137.3 151.2 -7.8 -28.3 -7.1 77 82 A F - 0 0 5 -2,-0.3 2,-0.5 11,-0.2 3,-0.1 -0.445 39.5-154.4 -58.9 133.2 -6.7 -31.7 -8.6 78 83 A H > > - 0 0 40 -22,-0.4 3,-1.8 -2,-0.2 5,-1.2 -0.971 17.6-146.3-118.4 126.2 -7.6 -34.7 -6.5 79 84 A Y G > 5S+ 0 0 78 -2,-0.5 3,-1.8 125,-0.3 -1,-0.1 0.828 100.3 61.4 -48.7 -40.5 -5.8 -37.9 -6.6 80 85 A Y G 3 5S+ 0 0 72 124,-0.3 -1,-0.3 101,-0.3 102,-0.1 0.674 91.8 67.4 -68.2 -12.6 -9.1 -39.8 -5.9 81 86 A E G < 5S- 0 0 130 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.427 127.3 -98.7 -84.9 3.0 -10.5 -38.4 -9.2 82 87 A G T < 5S+ 0 0 68 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.544 77.0 146.5 90.8 11.5 -7.9 -40.5 -11.0 83 88 A N < - 0 0 24 -5,-1.2 -1,-0.3 -27,-0.1 -2,-0.1 -0.687 49.8-122.9 -77.5 132.0 -5.4 -37.7 -11.5 84 89 A S > - 0 0 64 -2,-0.4 4,-1.4 -3,-0.1 5,-0.1 -0.069 24.0-107.1 -58.5 174.9 -1.9 -39.0 -11.2 85 90 A M H > S+ 0 0 18 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.731 117.2 60.2 -82.2 -23.7 0.4 -37.5 -8.6 86 91 A E H > S+ 0 0 101 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.942 109.0 43.5 -64.9 -48.7 2.5 -35.7 -11.2 87 92 A L H 4 S+ 0 0 42 1,-0.2 3,-0.4 2,-0.2 -2,-0.2 0.840 110.3 56.3 -66.3 -35.7 -0.6 -33.8 -12.3 88 93 A V H < S+ 0 0 6 -4,-1.4 -11,-0.2 1,-0.2 -1,-0.2 0.901 116.6 35.2 -63.1 -36.3 -1.8 -33.1 -8.7 89 94 A T H >X S+ 0 0 4 -4,-1.4 4,-1.6 1,-0.2 3,-1.1 0.465 91.0 95.5-100.3 -0.5 1.5 -31.4 -7.8 90 95 A F H 3X S+ 0 0 7 -4,-0.6 4,-2.5 -3,-0.4 5,-0.2 0.922 81.0 56.9 -61.5 -41.8 2.1 -29.8 -11.2 91 96 A P H 3> S+ 0 0 5 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.839 105.3 53.6 -56.2 -24.9 0.5 -26.5 -10.0 92 97 A I H <> S+ 0 0 0 -3,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.873 106.8 49.4 -77.3 -40.3 3.2 -26.6 -7.2 93 98 A R H X S+ 0 0 13 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.937 111.8 50.7 -56.4 -49.3 6.0 -26.9 -9.6 94 99 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.888 107.2 53.1 -56.8 -45.0 4.5 -24.0 -11.5 95 100 A M H <>S+ 0 0 2 -4,-2.1 5,-2.5 -5,-0.2 -1,-0.2 0.925 113.6 43.1 -60.2 -42.5 4.2 -21.8 -8.3 96 101 A K H ><5S+ 0 0 72 -4,-2.0 3,-2.1 3,-0.2 -2,-0.2 0.946 113.6 49.6 -65.3 -48.6 7.9 -22.3 -7.6 97 102 A A H 3<5S+ 0 0 24 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.707 107.6 56.5 -64.1 -25.8 9.1 -21.8 -11.2 98 103 A L T 3<5S- 0 0 16 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.291 126.7-101.8 -84.5 8.3 7.0 -18.6 -11.2 99 104 A G T < 5 + 0 0 53 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.472 62.1 161.4 86.3 -0.7 9.0 -17.4 -8.2 100 105 A C < - 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