==== 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 1YTD . COMPND 2 MOLECULE: NICOTINATE PHOSPHORIBOSYLTRANSFERASE FROM THERMOP . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR D.H.SHIN,BERKELEY STRUCTURAL GENOMICS CENTER (BSGC) . 389 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18932.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 71.0 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 . 29 7.5 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 . 111 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 0 1 2 1 1 3 1 1 0 1 0 0 0 0 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 4 2 0 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 . 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 0 168 0, 0.0 2,-0.2 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 62.2 114.3 60.9 37.9 2 2 A N - 0 0 64 4,-0.5 4,-0.0 2,-0.5 0, 0.0 -0.439 360.0 -75.6-117.8-168.5 112.6 64.3 37.0 3 3 A V S S+ 0 0 129 -2,-0.2 2,-0.1 2,-0.1 -1,-0.0 0.966 109.9 43.9 -56.3 -62.3 110.1 66.7 38.6 4 4 A F S S- 0 0 147 1,-0.1 2,-1.9 -3,-0.0 -2,-0.5 -0.257 102.6 -91.9 -82.2 171.6 106.9 64.8 37.8 5 5 A N S S+ 0 0 161 -4,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.295 88.8 110.7 -81.5 54.9 106.2 61.0 38.1 6 6 A T - 0 0 49 -2,-1.9 2,-0.5 140,-0.0 -4,-0.5 -0.694 69.0-116.0-122.1 175.0 107.3 60.3 34.6 7 7 A A - 0 0 51 -2,-0.2 5,-0.1 -6,-0.1 -2,-0.1 -0.962 30.3-134.3-118.0 114.7 110.2 58.6 32.8 8 8 A S > - 0 0 36 -2,-0.5 4,-2.3 1,-0.1 5,-0.3 -0.106 27.0-106.8 -60.5 162.7 112.4 60.8 30.7 9 9 A D H > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.874 124.4 58.2 -58.8 -36.1 113.5 59.7 27.2 10 10 A E H > S+ 0 0 135 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.950 107.3 47.8 -57.0 -50.5 116.9 59.1 28.7 11 11 A D H >>>S+ 0 0 10 2,-0.2 5,-2.3 1,-0.2 4,-0.9 0.944 110.5 46.5 -57.8 -57.0 115.3 56.7 31.2 12 12 A I H ><5S+ 0 0 26 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.885 113.2 53.3 -58.2 -34.2 113.2 54.6 28.8 13 13 A K H 3<5S+ 0 0 118 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.830 106.2 51.0 -68.4 -33.2 116.3 54.4 26.5 14 14 A K H <<5S- 0 0 139 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.584 120.6-109.6 -79.7 -9.0 118.5 53.1 29.4 15 15 A G T <<5S+ 0 0 5 -4,-0.9 -3,-0.2 -3,-0.6 3,-0.2 0.721 83.3 127.8 87.1 22.3 115.9 50.5 30.1 16 16 A L < + 0 0 86 -5,-2.3 2,-1.0 1,-0.2 -4,-0.2 0.633 59.2 72.6 -83.6 -16.2 114.9 52.1 33.4 17 17 A A S S+ 0 0 37 -6,-0.5 2,-0.3 -5,-0.2 -1,-0.2 -0.534 89.3 83.3 -96.9 63.6 111.3 52.0 32.3 18 18 A S S S- 0 0 27 -2,-1.0 2,-0.3 -3,-0.2 87,-0.1 -0.978 87.0 -79.4-157.6 170.1 110.9 48.2 32.7 19 19 A D >> - 0 0 72 -2,-0.3 3,-1.8 1,-0.1 4,-0.5 -0.587 39.2-135.0 -73.2 130.7 110.2 45.3 35.0 20 20 A V H 3> S+ 0 0 65 -2,-0.3 4,-2.7 1,-0.3 5,-0.3 0.822 95.7 80.3 -59.0 -30.0 113.4 44.4 36.9 21 21 A Y H 3> S+ 0 0 114 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.784 90.7 58.4 -49.9 -22.5 113.0 40.7 36.3 22 22 A F H <> S+ 0 0 3 -3,-1.8 4,-3.4 2,-0.2 5,-0.3 0.980 108.1 37.8 -71.6 -59.7 114.5 41.5 32.9 23 23 A E H X S+ 0 0 105 -4,-0.5 4,-2.2 1,-0.2 -2,-0.2 0.858 120.1 52.7 -61.3 -30.2 117.8 43.1 33.9 24 24 A R H X S+ 0 0 167 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.836 113.1 41.4 -73.5 -33.4 117.9 40.4 36.7 25 25 A T H X S+ 0 0 63 -4,-1.7 4,-1.7 -5,-0.3 -2,-0.2 0.927 114.4 50.4 -79.2 -46.0 117.3 37.6 34.2 26 26 A I H >X S+ 0 0 22 -4,-3.4 4,-1.1 1,-0.2 3,-1.0 0.972 114.2 47.2 -50.6 -56.9 119.7 38.9 31.6 27 27 A S H >< S+ 0 0 89 -4,-2.2 3,-0.9 -5,-0.3 -1,-0.2 0.896 108.8 52.0 -49.9 -52.4 122.2 39.3 34.3 28 28 A A H 3< S+ 0 0 88 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.744 104.6 59.8 -59.8 -24.0 121.6 35.8 35.8 29 29 A I H X< S+ 0 0 41 -4,-1.7 3,-1.4 -3,-1.0 -1,-0.3 0.827 84.0 161.1 -73.5 -32.4 122.1 34.4 32.3 30 30 A G G X< + 0 0 31 -4,-1.1 3,-4.1 -3,-0.9 4,-0.2 -0.031 59.9 8.5 50.0-144.3 125.7 35.9 32.2 31 31 A D G > S+ 0 0 147 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.701 120.1 70.1 -39.1 -29.8 128.2 34.7 29.7 32 32 A K G X S+ 0 0 140 -3,-1.4 3,-1.1 1,-0.2 -1,-0.3 0.741 77.0 86.7 -64.9 -19.4 125.5 32.6 27.9 33 33 A a G X S+ 0 0 25 -3,-4.1 3,-1.5 1,-0.3 67,-0.4 0.865 83.2 54.2 -44.5 -48.9 124.1 36.0 26.8 34 34 A N G < S+ 0 0 90 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.823 107.7 50.0 -59.3 -35.0 126.4 36.0 23.8 35 35 A D G < S+ 0 0 113 -3,-1.1 2,-0.6 -4,-0.4 -1,-0.3 0.139 89.0 93.6 -94.5 21.8 125.2 32.6 22.6 36 36 A L < + 0 0 49 -3,-1.5 63,-2.3 -4,-0.1 2,-0.6 -0.795 46.6 169.7-119.1 90.2 121.5 33.4 22.8 37 37 A R E +A 98 0A 110 -2,-0.6 274,-4.2 61,-0.2 2,-0.3 -0.880 14.1 171.1-100.7 123.4 120.1 34.6 19.6 38 38 A V E -AB 97 310A 9 59,-2.9 59,-2.0 -2,-0.6 2,-0.5 -0.871 32.7-142.4-132.8 165.7 116.3 34.9 19.4 39 39 A A E -AB 96 309A 0 270,-1.9 269,-3.7 -2,-0.3 270,-0.9 -0.994 22.4-168.8-125.8 119.6 113.4 36.1 17.4 40 40 A M E -AB 95 307A 3 55,-2.4 55,-2.6 -2,-0.5 2,-0.4 -0.898 2.0-161.9-111.5 140.3 110.4 37.6 19.4 41 41 A E E -AB 94 306A 5 265,-2.4 265,-2.7 -2,-0.4 2,-0.5 -0.923 11.9-138.9-120.7 148.5 107.0 38.4 17.9 42 42 A A E +AB 93 305A 0 51,-2.3 50,-2.7 -2,-0.4 51,-0.6 -0.923 28.1 173.1-107.8 126.1 104.4 40.6 19.3 43 43 A T E -AB 91 304A 12 261,-2.4 261,-2.8 -2,-0.5 2,-0.7 -0.886 35.4-105.1-129.1 163.1 100.8 39.4 19.0 44 44 A V E + B 0 303A 0 46,-0.6 259,-0.2 -2,-0.3 46,-0.1 -0.796 34.9 165.5 -93.4 114.7 97.5 40.6 20.3 45 45 A S + 0 0 59 257,-2.8 258,-0.2 -2,-0.7 -1,-0.2 0.828 61.5 89.5 -86.5 -39.8 96.1 38.5 23.1 46 46 A G S S- 0 0 8 256,-1.4 255,-0.1 -3,-0.2 -2,-0.1 0.576 93.9 -15.1 -38.1-167.1 93.7 41.4 23.7 47 47 A P + 0 0 57 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.093 54.3 177.0 -42.5 122.6 90.2 42.0 22.2 48 48 A L + 0 0 73 1,-0.1 35,-0.2 -3,-0.1 -2,-0.1 0.475 67.6 79.2-108.3 -5.6 89.8 39.6 19.2 49 49 A D S S+ 0 0 145 32,-0.1 2,-0.3 33,-0.1 -1,-0.1 -0.006 95.6 49.6 -90.0 29.3 86.2 40.7 18.5 50 50 A T S S- 0 0 22 -3,-0.2 2,-0.1 30,-0.0 30,-0.0 -0.981 81.6-116.1-161.4 151.3 87.5 43.8 16.7 51 51 A W - 0 0 22 -2,-0.3 2,-0.4 30,-0.2 30,-0.3 -0.322 35.2-133.9 -80.9 175.8 89.9 44.9 14.1 52 52 A I E -G 80 0B 0 28,-2.8 28,-1.9 -2,-0.1 2,-0.8 -0.990 10.4-142.4-137.8 144.7 92.8 47.1 15.1 53 53 A N E -G 79 0B 0 64,-0.5 68,-0.3 -2,-0.4 26,-0.2 -0.897 35.5-133.5-104.5 99.5 94.4 50.2 13.7 54 54 A F + 0 0 0 24,-2.0 23,-3.1 -2,-0.8 2,-0.3 -0.272 38.8 156.8 -57.9 132.6 98.1 49.6 14.4 55 55 A T + 0 0 0 58,-0.3 62,-0.5 21,-0.2 61,-0.1 -0.993 38.5 52.9-158.9 148.9 99.9 52.6 16.0 56 56 A G > + 0 0 4 -2,-0.3 4,-1.0 60,-0.2 3,-0.3 0.430 63.9 118.5 104.8 -0.1 103.0 53.4 18.1 57 57 A L H > + 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.866 67.7 66.4 -64.6 -37.4 105.6 51.6 16.0 58 58 A D H > S+ 0 0 10 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.897 100.5 49.3 -49.8 -45.1 107.4 54.9 15.3 59 59 A E H > S+ 0 0 64 -3,-0.3 4,-0.8 1,-0.2 -1,-0.3 0.839 105.7 57.7 -65.5 -34.7 108.3 55.1 19.0 60 60 A V H X S+ 0 0 0 -4,-1.0 4,-2.9 -3,-0.4 3,-0.3 0.881 107.3 47.1 -65.1 -38.0 109.6 51.5 18.9 61 61 A L H X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.922 105.8 57.9 -68.8 -44.3 112.1 52.4 16.2 62 62 A K H < S+ 0 0 107 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.751 115.4 40.7 -57.3 -20.2 113.2 55.5 18.1 63 63 A L H < S+ 0 0 11 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.895 119.0 37.7 -95.0 -49.6 114.0 53.0 20.8 64 64 A L H >< S+ 0 0 0 -4,-2.9 3,-2.3 -5,-0.1 5,-0.2 0.710 86.3 113.8 -77.1 -20.1 115.5 50.0 19.2 65 65 A E T 3< S+ 0 0 89 -4,-2.6 301,-0.2 -5,-0.3 3,-0.1 -0.321 78.2 29.2 -53.5 120.7 117.4 52.1 16.6 66 66 A G T 3 S+ 0 0 63 299,-0.9 -1,-0.3 1,-0.5 2,-0.2 0.044 93.9 104.5 116.3 -27.8 121.1 51.6 17.4 67 67 A L S < S- 0 0 45 -3,-2.3 2,-2.4 298,-0.1 -1,-0.5 -0.536 87.1-102.0 -85.1 154.8 121.1 48.1 18.9 68 68 A D S S+ 0 0 66 -2,-0.2 30,-0.5 297,-0.1 2,-0.3 -0.492 82.1 118.5 -77.3 78.3 122.3 45.1 16.9 69 69 A V E -C 97 0A 1 -2,-2.4 296,-2.1 -5,-0.2 2,-0.4 -0.999 59.7-135.8-146.3 145.7 118.8 44.0 16.0 70 70 A D E -C 96 0A 26 26,-1.8 26,-3.1 -2,-0.3 2,-0.5 -0.841 24.8-163.4 -97.8 136.0 116.6 43.4 12.9 71 71 A L E -CD 95 362A 0 291,-2.2 290,-2.6 -2,-0.4 291,-1.7 -0.963 9.3-176.6-129.1 119.7 113.1 44.7 13.3 72 72 A Y E +CD 94 360A 41 22,-3.0 22,-3.1 -2,-0.5 2,-0.3 -0.827 17.7 158.1-107.8 150.3 110.1 43.7 11.1 73 73 A A E -CD 93 359A 0 286,-3.5 286,-2.5 -2,-0.3 20,-0.2 -0.992 44.5-101.4-164.1 167.0 106.7 45.2 11.5 74 74 A I - 0 0 0 18,-2.2 284,-0.1 -2,-0.3 -17,-0.1 -0.810 56.4 -99.9 -93.6 136.0 103.3 46.0 10.0 75 75 A P > - 0 0 17 0, 0.0 3,-1.8 0, 0.0 -21,-0.2 -0.250 38.9-105.2 -56.6 139.9 103.1 49.7 9.0 76 76 A E T 3 S+ 0 0 6 1,-0.2 -21,-0.2 -23,-0.1 3,-0.1 -0.221 108.9 39.2 -57.5 161.8 101.3 52.0 11.4 77 77 A G T 3 S+ 0 0 0 -23,-3.1 -1,-0.2 1,-0.3 307,-0.1 0.232 82.9 132.8 81.0 -18.8 97.9 52.9 10.1 78 78 A T < - 0 0 0 -3,-1.8 -24,-2.0 -24,-0.2 2,-0.5 -0.425 45.3-150.6 -65.7 142.3 97.3 49.4 8.8 79 79 A I E +G 53 0B 1 -26,-0.2 2,-0.3 -3,-0.1 -26,-0.2 -0.971 34.7 126.2-122.4 121.9 93.9 48.1 9.8 80 80 A L E -G 52 0B 3 -28,-1.9 -28,-2.8 -2,-0.5 4,-0.1 -0.972 55.9 -85.2-162.6 169.9 93.3 44.4 10.3 81 81 A F - 0 0 97 -2,-0.3 -30,-0.2 -30,-0.3 -33,-0.1 -0.514 33.1-123.9 -84.3 153.3 92.0 41.7 12.7 82 82 A P S S+ 0 0 0 0, 0.0 8,-2.6 0, 0.0 2,-0.4 0.686 100.3 52.9 -68.7 -18.9 94.3 40.2 15.4 83 83 A R B S-H 89 0C 69 6,-0.2 -2,-0.2 -35,-0.2 253,-0.1 -0.962 87.6-128.3-119.3 137.6 93.5 36.8 14.0 84 84 A D > - 0 0 12 4,-2.5 3,-2.4 -2,-0.4 253,-0.2 0.032 47.3 -73.0 -73.1-174.3 94.0 35.9 10.3 85 85 A A T 3 S+ 0 0 52 251,-3.1 252,-0.1 1,-0.3 -1,-0.1 0.682 136.6 42.9 -55.2 -18.1 91.5 34.3 8.0 86 86 A N T 3 S- 0 0 100 250,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.112 122.9 -97.4-117.9 21.6 92.1 31.0 9.9 87 87 A G S < S+ 0 0 45 -3,-2.4 -2,-0.1 1,-0.2 3,-0.0 0.683 73.9 147.1 74.8 17.5 92.2 32.2 13.5 88 88 A L - 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