==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-SEP-11 3TQV . COMPND 2 MOLECULE: NICOTINATE-NUCLEOTIDE PYROPHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. TULARENS . AUTHOR M.RUDOLPH,J.CHEUNG,M.FRANKLIN,M.CASSIDY,E.GARY,F.BURSHTEYN,J . 556 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 403 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 8.6 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 . 0 0.0 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 . 38 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 2 3 0 0 0 2 1 7 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 2 1 4 3 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 0 PARALLEL BRIDGES PER LADDER . 1 2 0 2 2 0 2 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 . 2 0 2 0 0 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 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 7 A N 0 0 158 0, 0.0 2,-0.2 0, 0.0 190,-0.1 0.000 360.0 360.0 360.0 -57.1 -14.0 13.2 12.2 2 8 A T - 0 0 32 155,-0.2 2,-0.3 1,-0.1 155,-0.1 -0.619 360.0 -80.0 -93.2 163.7 -14.6 10.4 14.7 3 9 A D - 0 0 121 -2,-0.2 2,-0.3 161,-0.1 -1,-0.1 -0.515 48.4-145.2 -62.6 126.8 -15.6 11.0 18.4 4 10 A Q - 0 0 55 -2,-0.3 2,-1.0 152,-0.1 3,-0.1 -0.777 7.2-131.3-100.8 145.5 -12.5 11.8 20.4 5 11 A I + 0 0 20 -2,-0.3 146,-0.2 142,-0.2 3,-0.1 -0.771 39.7 155.0-103.5 95.3 -12.1 10.7 24.0 6 12 A N S S+ 0 0 109 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.336 71.1 24.8-103.8 3.8 -11.0 13.6 26.1 7 13 A K S S- 0 0 109 -3,-0.1 -1,-0.2 137,-0.1 3,-0.0 -0.907 74.3-126.0-163.9 138.5 -12.4 12.2 29.3 8 14 A V - 0 0 0 -2,-0.3 5,-0.1 -3,-0.1 137,-0.0 -0.784 44.3-104.5 -86.0 126.0 -13.2 8.8 30.7 9 15 A P > - 0 0 48 0, 0.0 4,-1.8 0, 0.0 3,-0.4 -0.170 29.2-119.6 -56.2 139.6 -16.8 8.6 31.9 10 16 A N H > S+ 0 0 103 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.859 108.0 51.5 -49.3 -50.3 -17.0 8.7 35.7 11 17 A D H > S+ 0 0 115 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.897 106.2 54.7 -63.6 -39.4 -18.8 5.4 36.2 12 18 A I H > S+ 0 0 31 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.966 111.9 45.3 -50.6 -53.0 -16.2 3.6 34.1 13 19 A V H X S+ 0 0 5 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.894 115.3 48.6 -59.1 -39.1 -13.5 5.0 36.4 14 20 A T H X S+ 0 0 37 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.946 112.3 45.4 -67.0 -48.4 -15.6 4.2 39.4 15 21 A R H X S+ 0 0 69 -4,-3.4 4,-2.2 2,-0.2 5,-0.2 0.879 114.3 49.7 -65.7 -39.8 -16.3 0.6 38.5 16 22 A L H X S+ 0 0 10 -4,-2.5 4,-2.1 -5,-0.3 5,-0.2 0.981 113.3 44.7 -61.4 -57.1 -12.7 -0.1 37.4 17 23 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 5,-0.3 0.910 112.2 53.8 -54.8 -46.4 -11.2 1.3 40.7 18 24 A R H X S+ 0 0 132 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.943 111.2 43.6 -53.1 -52.8 -13.8 -0.5 42.8 19 25 A E H X S+ 0 0 28 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.856 114.0 50.6 -65.2 -33.2 -13.1 -4.0 41.3 20 26 A S H X S+ 0 0 1 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.820 112.0 47.1 -77.1 -31.6 -9.3 -3.4 41.4 21 27 A L H >X S+ 0 0 11 -4,-2.3 4,-3.6 -5,-0.2 3,-0.7 0.936 113.2 49.7 -67.8 -49.2 -9.4 -2.4 45.1 22 28 A A H 3X S+ 0 0 61 -4,-2.7 4,-1.7 1,-0.3 -2,-0.2 0.933 108.9 51.4 -54.6 -48.9 -11.7 -5.4 45.8 23 29 A E H 3< S+ 0 0 41 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.739 121.0 34.3 -65.1 -23.5 -9.4 -7.8 44.1 24 30 A D H << S+ 0 0 0 -3,-0.7 416,-2.7 -4,-0.7 417,-0.4 0.826 126.3 34.6 -95.6 -36.3 -6.4 -6.5 46.1 25 31 A I H >< + 0 0 28 -4,-3.6 3,-2.3 414,-0.2 -3,-0.2 0.886 69.5 157.7 -93.6 -45.0 -7.9 -5.6 49.5 26 32 A A T 3< S- 0 0 51 -4,-1.7 3,-0.1 -5,-0.4 -1,-0.1 -0.200 81.8 -0.7 46.7-136.7 -10.7 -8.1 50.2 27 33 A T T 3 S- 0 0 141 1,-0.2 -1,-0.3 -5,-0.0 2,-0.1 0.669 131.3 -69.7 -53.3 -20.1 -11.4 -8.3 54.0 28 34 A G < - 0 0 23 -3,-2.3 2,-0.8 -4,-0.1 -1,-0.2 -0.430 54.3 -67.7 140.6 151.6 -8.6 -5.7 54.4 29 35 A D > - 0 0 17 1,-0.2 3,-0.6 -2,-0.1 4,-0.4 -0.530 42.7-170.7 -67.3 103.9 -4.9 -5.1 54.2 30 36 A I G > S+ 0 0 32 410,-2.0 3,-0.6 -2,-0.8 -1,-0.2 0.750 79.1 56.6 -69.9 -26.5 -3.5 -7.2 57.1 31 37 A T G > S+ 0 0 2 409,-0.5 3,-1.1 412,-0.2 4,-0.3 0.703 93.6 68.9 -81.8 -20.7 0.1 -5.8 56.9 32 38 A A G X S+ 0 0 3 -3,-0.6 3,-0.9 1,-0.2 -1,-0.2 0.678 83.7 71.7 -70.0 -20.2 -1.1 -2.1 57.4 33 39 A Q G < S+ 0 0 96 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.1 0.674 89.6 61.4 -70.7 -16.3 -2.2 -2.9 61.0 34 40 A L G < S+ 0 0 4 -3,-1.1 -1,-0.3 -4,-0.1 -2,-0.2 0.698 92.3 85.2 -80.6 -22.4 1.5 -3.1 61.9 35 41 A A S < S- 0 0 1 -3,-0.9 2,-0.1 -4,-0.3 415,-0.1 -0.499 94.7 -90.6 -83.5 151.8 1.9 0.5 60.9 36 42 A E - 0 0 103 -2,-0.2 2,-2.7 1,-0.1 59,-0.3 -0.345 28.3-127.0 -61.6 131.8 1.2 3.5 63.1 37 43 A D S S+ 0 0 103 57,-0.1 2,-0.3 -4,-0.1 -1,-0.1 -0.311 72.8 120.1 -75.9 61.2 -2.3 4.9 62.9 38 44 A I - 0 0 89 -2,-2.7 56,-2.6 54,-0.0 2,-0.2 -0.813 68.8-102.6-127.7 156.5 -0.8 8.3 62.3 39 45 A D E +A 93 0A 110 -2,-0.3 54,-0.3 54,-0.2 2,-0.2 -0.591 47.4 159.6 -76.8 145.1 -0.9 11.0 59.6 40 46 A T E -A 92 0A 19 52,-4.3 52,-2.8 -2,-0.2 2,-0.3 -0.807 30.6-113.5-147.0-165.9 2.1 11.2 57.2 41 47 A T E +A 91 0A 67 -2,-0.2 236,-2.8 50,-0.2 2,-0.3 -0.853 26.9 174.2-132.8 161.2 3.2 12.5 53.9 42 48 A A E -AB 90 276A 2 48,-2.2 48,-3.0 -2,-0.3 2,-0.3 -0.988 13.7-155.4-163.0 163.7 4.3 11.0 50.6 43 49 A F E -AB 89 275A 44 232,-2.2 232,-2.5 -2,-0.3 2,-0.5 -0.983 14.7-135.3-142.4 154.7 5.2 11.7 47.0 44 50 A C E -AB 88 274A 0 44,-1.9 43,-3.1 -2,-0.3 44,-0.6 -0.943 22.2-167.2-113.9 129.7 5.2 9.7 43.8 45 51 A I E -AB 86 273A 19 228,-2.7 228,-1.9 -2,-0.5 2,-0.4 -0.905 16.0-138.5-119.0 142.4 8.1 9.8 41.4 46 52 A T E - B 0 272A 0 39,-2.0 38,-2.5 -2,-0.4 226,-0.2 -0.824 5.6-156.5 -90.9 137.1 8.6 8.7 37.8 47 53 A R S S+ 0 0 114 224,-2.6 2,-0.3 -2,-0.4 36,-0.1 0.233 75.5 31.5 -98.0 14.4 12.0 7.0 37.1 48 54 A E S S- 0 0 58 223,-0.3 37,-0.1 34,-0.2 36,-0.1 -0.986 97.0 -79.9-158.7 162.0 11.8 7.8 33.4 49 55 A E + 0 0 101 -2,-0.3 2,-0.3 34,-0.1 -2,-0.1 -0.404 64.2 155.4 -65.8 148.1 10.5 10.4 30.9 50 56 A X E -D 81 0B 4 31,-2.2 31,-3.6 -2,-0.1 2,-0.5 -0.996 48.0-112.0-168.6 154.8 6.9 9.9 30.3 51 57 A I E -D 80 0B 11 61,-0.5 65,-0.3 -2,-0.3 2,-0.3 -0.929 44.4-124.2 -99.2 131.4 3.5 11.2 29.3 52 58 A L + 0 0 0 27,-2.1 26,-3.2 -2,-0.5 2,-0.3 -0.514 39.6 156.1 -83.5 136.6 1.1 11.3 32.2 53 59 A C + 0 0 0 -2,-0.3 59,-0.5 24,-0.2 58,-0.2 -0.949 45.5 57.4-155.1 138.5 -2.3 9.5 32.2 54 60 A G >> + 0 0 1 -2,-0.3 4,-2.4 57,-0.2 3,-0.9 0.410 50.2 132.1 118.6 1.2 -4.5 8.2 35.0 55 61 A Q H 3> S+ 0 0 33 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.940 76.9 54.2 -36.1 -64.5 -5.2 11.2 37.2 56 62 A D H 3> S+ 0 0 49 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.781 111.0 46.9 -45.7 -35.1 -8.9 10.4 37.3 57 63 A F H <> S+ 0 0 3 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.891 111.3 47.9 -79.2 -43.7 -8.1 6.9 38.5 58 64 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -3,-0.3 -2,-0.2 0.967 115.2 46.8 -58.3 -54.3 -5.7 7.9 41.2 59 65 A N H X S+ 0 0 58 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.909 112.7 49.9 -48.0 -51.4 -8.1 10.5 42.5 60 66 A E H X S+ 0 0 33 -4,-1.6 4,-1.5 -5,-0.3 -1,-0.2 0.879 107.6 53.2 -65.8 -39.0 -11.0 8.0 42.4 61 67 A V H >X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 3,-0.7 0.955 109.4 49.4 -54.8 -51.9 -9.0 5.4 44.3 62 68 A I H 3X S+ 0 0 10 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.938 109.4 52.9 -50.4 -52.2 -8.3 8.0 47.0 63 69 A N H 3< S+ 0 0 72 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.728 112.0 44.0 -56.1 -32.6 -12.1 8.8 47.1 64 70 A Q H << S+ 0 0 63 -4,-1.5 -1,-0.2 -3,-0.7 -2,-0.2 0.834 121.9 38.3 -86.4 -34.3 -13.1 5.2 47.6 65 71 A L H < S- 0 0 58 -4,-2.5 2,-0.2 -5,-0.2 -2,-0.2 0.963 134.3 -19.0 -79.2 -58.6 -10.4 4.4 50.2 66 72 A D >< - 0 0 23 -4,-3.1 3,-2.5 -5,-0.2 -1,-0.2 -0.699 43.2-161.9-163.1 99.5 -10.1 7.5 52.4 67 73 A K T 3 S+ 0 0 147 -4,-0.3 -4,-0.1 1,-0.3 -5,-0.1 0.534 87.9 78.0 -63.4 -4.7 -11.3 11.0 51.5 68 74 A N T 3 S+ 0 0 131 -6,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.632 70.9 97.0 -79.4 -14.8 -9.0 12.3 54.2 69 75 A I < - 0 0 10 -3,-2.5 2,-0.5 -7,-0.2 23,-0.2 -0.630 67.9-148.3 -71.8 127.1 -6.0 11.9 51.9 70 76 A Q E -C 91 0A 103 21,-3.1 21,-2.2 -2,-0.4 2,-0.4 -0.868 12.7-164.5 -97.0 132.9 -5.1 15.2 50.3 71 77 A I E -C 90 0A 42 -2,-0.5 2,-0.4 19,-0.2 19,-0.2 -0.941 8.7-170.3-118.0 137.9 -3.6 15.0 46.8 72 78 A T E -C 89 0A 85 17,-2.3 17,-2.3 -2,-0.4 2,-0.5 -0.980 14.9-145.9-126.1 121.3 -1.7 17.7 45.0 73 79 A W E -C 88 0A 49 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.738 17.9-179.4 -90.0 124.1 -0.8 17.3 41.3 74 80 A L S S+ 0 0 76 13,-3.0 2,-0.3 -2,-0.5 14,-0.2 0.552 81.9 26.5 -90.5 -15.9 2.4 18.8 40.0 75 81 A Y S S- 0 0 60 12,-1.0 -1,-0.2 4,-0.0 2,-0.2 -0.980 78.6-146.8-144.6 145.1 1.7 17.5 36.5 76 82 A S > - 0 0 50 -2,-0.3 3,-1.6 1,-0.1 -24,-0.3 -0.601 40.3 -62.4-109.3 170.1 -1.7 16.7 34.9 77 83 A D T 3 S+ 0 0 20 1,-0.2 -24,-0.2 -2,-0.2 -1,-0.1 -0.302 119.0 19.5 -53.1 126.1 -3.0 14.2 32.4 78 84 A A T 3 S+ 0 0 50 -26,-3.2 -1,-0.2 1,-0.3 2,-0.2 0.488 93.3 123.1 91.7 12.3 -1.3 14.5 28.9 79 85 A Q < - 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