==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-FEB-05 1YTK . COMPND 2 MOLECULE: NICOTINATE PHOSPHORIBOSYLTRANSFERASE FROM THERMOP . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR D.H.SHIN,BERKELEY STRUCTURAL GENOMICS CENTER (BSGC) . 389 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19088.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 20 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 2 1 0 1 1 1 3 1 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 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 0 0 PARALLEL BRIDGES PER LADDER . 1 3 3 1 1 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 . 1 0 1 0 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 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 0 179 0, 0.0 2,-0.2 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 -38.6 114.3 61.1 38.0 2 2 A N - 0 0 58 4,-0.5 4,-0.1 2,-0.4 6,-0.0 -0.627 360.0 -86.6-120.3 179.1 112.2 64.1 37.1 3 3 A V S S+ 0 0 127 -2,-0.2 2,-0.1 2,-0.1 -1,-0.0 0.922 106.2 40.1 -47.0 -63.9 109.6 66.5 38.6 4 4 A F S S- 0 0 147 1,-0.1 2,-2.3 -3,-0.0 -2,-0.4 -0.358 104.0 -87.7 -88.3 170.7 106.4 64.6 37.8 5 5 A N S S+ 0 0 159 -2,-0.1 2,-0.3 -4,-0.1 -2,-0.1 -0.376 87.7 113.0 -79.3 63.8 105.8 60.8 38.1 6 6 A T - 0 0 52 -2,-2.3 2,-0.5 -4,-0.1 -4,-0.5 -0.807 67.9-116.3-130.5 168.9 107.0 60.1 34.6 7 7 A A - 0 0 50 -2,-0.3 -2,-0.0 -6,-0.1 10,-0.0 -0.932 32.8-132.1-107.7 125.6 109.9 58.3 32.9 8 8 A S > - 0 0 27 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.302 26.0-107.8 -72.1 163.8 112.1 60.6 30.8 9 9 A D H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.848 123.9 54.1 -60.7 -32.2 113.1 59.5 27.3 10 10 A E H > S+ 0 0 120 2,-0.2 4,-1.8 1,-0.2 6,-0.2 0.959 106.9 50.4 -63.8 -52.5 116.5 58.8 28.7 11 11 A D H 4>S+ 0 0 11 1,-0.2 5,-2.5 2,-0.2 6,-0.5 0.907 112.7 44.8 -53.3 -47.9 115.1 56.6 31.4 12 12 A I H ><5S+ 0 0 25 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.891 111.1 54.0 -69.1 -34.2 113.1 54.5 28.9 13 13 A K H 3<5S+ 0 0 125 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.784 105.9 54.7 -67.0 -26.2 116.0 54.3 26.5 14 14 A K T 3<5S- 0 0 143 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.436 120.9-106.5 -86.6 -0.6 118.2 52.9 29.4 15 15 A G T < 5S+ 0 0 3 -3,-1.3 -3,-0.2 -4,-0.3 8,-0.1 0.612 85.3 126.8 84.7 12.3 115.7 50.1 30.1 16 16 A L < + 0 0 92 -5,-2.5 2,-1.4 -6,-0.2 -4,-0.2 0.752 56.6 69.3 -73.8 -26.7 114.6 51.9 33.3 17 17 A A S S+ 0 0 39 -6,-0.5 2,-0.3 -5,-0.1 -1,-0.2 -0.575 89.1 92.2 -91.8 69.9 110.9 51.8 32.4 18 18 A S S S- 0 0 29 -2,-1.4 2,-0.4 89,-0.1 87,-0.1 -0.959 84.7 -82.6-154.9 172.0 110.5 48.0 32.7 19 19 A D >> - 0 0 82 -2,-0.3 3,-1.7 85,-0.2 4,-0.5 -0.671 42.7-133.0 -76.5 127.2 109.7 45.0 34.9 20 20 A V H 3> S+ 0 0 73 -2,-0.4 4,-2.3 1,-0.3 5,-0.3 0.795 96.1 75.1 -57.5 -30.7 112.8 44.2 36.9 21 21 A Y H 3> S+ 0 0 135 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.727 89.8 62.6 -58.2 -16.2 112.7 40.5 36.3 22 22 A F H <> S+ 0 0 12 -3,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.969 109.0 35.0 -72.0 -57.0 114.0 41.2 32.8 23 23 A E H X S+ 0 0 100 -4,-0.5 4,-3.0 -3,-0.3 5,-0.2 0.924 118.2 55.3 -64.8 -38.0 117.3 42.8 33.6 24 24 A R H X S+ 0 0 168 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.826 110.9 44.1 -61.2 -34.5 117.6 40.4 36.6 25 25 A T H X S+ 0 0 67 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.860 112.5 50.9 -78.7 -37.6 117.1 37.4 34.3 26 26 A I H X S+ 0 0 22 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.922 110.9 50.8 -64.5 -40.4 119.5 38.8 31.7 27 27 A S H < S+ 0 0 94 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.907 108.5 50.7 -61.3 -43.8 122.0 39.3 34.5 28 28 A A H < S+ 0 0 88 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.877 105.5 57.1 -61.7 -40.1 121.5 35.7 35.6 29 29 A I H >< S+ 0 0 45 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.856 80.3 154.4 -59.9 -38.5 122.1 34.4 32.1 30 30 A G G >< + 0 0 34 -4,-1.5 3,-2.3 1,-0.3 4,-0.3 -0.143 64.4 13.4 48.8-125.7 125.5 36.1 32.1 31 31 A D G > S+ 0 0 137 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.770 118.7 67.3 -53.7 -32.7 128.0 34.6 29.7 32 32 A K G X S+ 0 0 138 -3,-1.7 3,-2.4 1,-0.2 -1,-0.3 0.779 81.2 84.4 -61.0 -22.3 125.4 32.5 27.9 33 33 A a G X S+ 0 0 25 -3,-2.3 3,-1.9 1,-0.3 67,-0.3 0.862 80.2 59.7 -45.3 -46.7 124.0 35.8 26.6 34 34 A N G < S+ 0 0 112 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.763 108.3 46.9 -55.8 -26.0 126.5 35.9 23.8 35 35 A D G < S+ 0 0 101 -3,-2.4 2,-0.5 -4,-0.3 -1,-0.3 0.103 88.4 92.9-107.0 22.3 125.0 32.6 22.5 36 36 A L < + 0 0 45 -3,-1.9 63,-3.0 -4,-0.1 2,-0.5 -0.741 43.1 170.3-123.5 88.5 121.2 33.3 22.7 37 37 A R E +A 98 0A 120 -2,-0.5 274,-3.6 61,-0.3 2,-0.3 -0.809 15.2 173.5 -94.0 129.7 119.7 34.7 19.5 38 38 A V E -AB 97 310A 7 59,-2.8 59,-2.1 -2,-0.5 2,-0.4 -0.894 31.2-144.4-135.4 164.9 116.0 34.8 19.5 39 39 A A E -AB 96 309A 1 270,-1.6 269,-3.6 -2,-0.3 270,-1.1 -1.000 22.1-169.5-127.8 122.5 113.0 36.0 17.5 40 40 A M E -AB 95 307A 6 55,-2.3 55,-2.4 -2,-0.4 2,-0.4 -0.943 3.8-158.3-115.8 139.3 110.1 37.4 19.5 41 41 A E E -AB 94 306A 7 265,-2.3 265,-1.9 -2,-0.4 2,-0.5 -0.955 10.4-139.2-121.2 138.7 106.7 38.2 18.0 42 42 A A E +AB 93 305A 0 51,-2.2 50,-2.9 -2,-0.4 51,-0.6 -0.829 29.3 174.5 -96.0 129.3 104.0 40.5 19.4 43 43 A T E -AB 91 304A 14 261,-2.8 261,-2.9 -2,-0.5 2,-0.8 -0.912 34.4-104.9-133.1 160.6 100.4 39.2 19.1 44 44 A V E + B 0 303A 0 46,-0.6 259,-0.2 -2,-0.3 46,-0.1 -0.758 38.5 159.0 -91.1 111.4 97.0 40.3 20.3 45 45 A S + 0 0 52 257,-3.0 -1,-0.2 -2,-0.8 258,-0.2 0.828 61.2 92.6 -87.0 -40.9 95.6 38.3 23.2 46 46 A G S S- 0 0 11 256,-1.9 255,-0.1 -3,-0.2 -2,-0.0 0.590 93.2 -16.3 -32.7-170.4 93.4 41.4 23.7 47 47 A P + 0 0 52 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.068 55.8 179.4 -41.5 123.9 89.9 42.0 22.4 48 48 A L + 0 0 78 1,-0.1 35,-0.2 33,-0.1 -2,-0.1 0.523 66.7 79.4-106.2 -9.7 89.4 39.6 19.5 49 49 A D S S+ 0 0 147 32,-0.1 2,-0.3 33,-0.1 -1,-0.1 -0.002 95.1 48.1 -87.4 31.8 85.8 40.7 18.7 50 50 A T S S- 0 0 24 -3,-0.2 2,-0.1 30,-0.0 30,-0.0 -0.983 80.6-111.5-164.8 153.2 87.1 43.8 16.8 51 51 A W - 0 0 27 -2,-0.3 2,-0.4 30,-0.2 30,-0.3 -0.375 35.5-134.2 -81.9 169.8 89.5 44.8 14.1 52 52 A I E -G 80 0B 0 28,-3.7 28,-1.9 -2,-0.1 2,-0.8 -0.965 10.7-146.6-131.7 144.5 92.5 47.0 15.1 53 53 A N E -G 79 0B 0 64,-0.5 68,-0.2 -2,-0.4 26,-0.2 -0.902 35.3-134.9-107.9 97.2 94.1 50.1 13.6 54 54 A F + 0 0 0 24,-1.7 23,-2.7 -2,-0.8 24,-0.3 -0.331 38.1 156.5 -59.8 122.5 97.8 49.5 14.4 55 55 A T + 0 0 0 58,-0.3 62,-0.4 21,-0.2 61,-0.1 -0.973 38.0 54.7-146.3 156.7 99.6 52.5 15.8 56 56 A G >> + 0 0 4 -2,-0.3 4,-0.9 60,-0.2 3,-0.9 0.372 61.5 119.6 103.9 -4.9 102.6 53.4 18.0 57 57 A L H 3> + 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.748 66.4 68.5 -63.8 -26.5 105.3 51.5 16.0 58 58 A D H 3> S+ 0 0 12 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.874 99.2 50.1 -60.9 -37.2 107.2 54.8 15.4 59 59 A E H <> S+ 0 0 65 -3,-0.9 4,-1.1 2,-0.2 -1,-0.2 0.840 107.3 54.5 -69.3 -35.1 108.0 54.9 19.1 60 60 A V H X S+ 0 0 0 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.900 106.8 50.5 -67.3 -41.8 109.2 51.3 19.0 61 61 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.908 107.4 52.7 -63.5 -42.7 111.7 52.1 16.1 62 62 A K H < S+ 0 0 108 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.800 112.9 47.2 -63.5 -26.8 113.1 55.1 18.1 63 63 A L H < S+ 0 0 11 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.890 118.0 37.4 -81.5 -40.8 113.7 52.7 21.0 64 64 A L H >< S+ 0 0 0 -4,-2.3 3,-1.6 -5,-0.1 5,-0.3 0.580 84.2 116.0 -89.0 -12.1 115.3 49.9 19.1 65 65 A E T 3< S+ 0 0 91 -4,-1.9 301,-0.2 1,-0.2 3,-0.1 -0.396 80.4 25.6 -58.4 128.6 117.3 51.9 16.7 66 66 A G T 3 S+ 0 0 66 299,-1.4 -1,-0.2 1,-0.4 300,-0.1 -0.115 92.3 107.4 108.1 -38.1 121.0 51.2 17.4 67 67 A L S < S- 0 0 40 -3,-1.6 2,-2.7 298,-0.1 -1,-0.4 -0.441 86.9-106.4 -71.5 149.9 120.7 47.8 19.0 68 68 A D S S+ 0 0 66 297,-0.1 30,-0.4 -3,-0.1 2,-0.3 -0.420 79.2 125.3 -78.4 72.1 122.0 45.0 16.7 69 69 A V - 0 0 1 -2,-2.7 296,-2.5 -5,-0.3 2,-0.4 -0.928 57.1-136.1-131.8 154.9 118.4 43.9 15.9 70 70 A D E -C 96 0A 26 26,-1.9 26,-2.1 -2,-0.3 2,-0.4 -0.871 24.7-160.5-104.0 140.8 116.2 43.2 12.9 71 71 A L E -CD 95 362A 0 291,-2.5 290,-2.7 -2,-0.4 291,-1.3 -0.973 12.4-179.5-132.9 124.2 112.7 44.5 13.1 72 72 A Y E +CD 94 360A 44 22,-2.6 22,-2.5 -2,-0.4 2,-0.3 -0.858 18.6 149.5-113.4 152.2 109.6 43.4 11.1 73 73 A A E -CD 93 359A 0 286,-1.5 286,-1.7 -2,-0.3 20,-0.3 -0.990 49.3 -94.9-171.5 165.5 106.2 44.9 11.5 74 74 A I - 0 0 0 18,-2.2 284,-0.1 -2,-0.3 -17,-0.1 -0.757 55.8-106.2 -87.4 133.8 102.9 45.8 10.1 75 75 A P > - 0 0 18 0, 0.0 3,-1.4 0, 0.0 -21,-0.2 -0.321 39.4 -99.0 -61.5 146.7 102.9 49.5 9.1 76 76 A E T 3 S+ 0 0 3 1,-0.2 -21,-0.2 -23,-0.1 3,-0.1 -0.287 109.4 39.5 -60.0 151.6 100.9 51.9 11.3 77 77 A G T 3 S+ 0 0 0 -23,-2.7 2,-0.3 1,-0.3 -1,-0.2 0.398 81.0 131.2 87.9 -6.2 97.5 52.7 9.9 78 78 A T < - 0 0 0 -3,-1.4 -24,-1.7 -24,-0.3 2,-0.5 -0.638 46.3-150.2 -78.5 137.6 96.9 49.2 8.6 79 79 A I E +G 53 0B 0 -2,-0.3 2,-0.3 -26,-0.2 -26,-0.2 -0.952 34.8 124.6-116.1 130.2 93.5 47.9 9.7 80 80 A L E -G 52 0B 2 -28,-1.9 -28,-3.7 -2,-0.5 4,-0.1 -0.965 55.0 -84.3-164.6 176.6 92.8 44.2 10.3 81 81 A F - 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