==== 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 16-APR-10 3MLB . COMPND 2 MOLECULE: NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR N.HUANG,H.ZHANG,Y.EYOBO . 374 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17462.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 24 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 2 0 0 0 2 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 3 1 4 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 161 0, 0.0 98,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 127.2 6.9 -17.8 6.8 2 2 A R E -a 99 0A 88 96,-2.5 98,-3.8 1,-0.1 2,-0.8 -0.462 360.0-132.2 -64.2 129.9 4.2 -18.6 4.2 3 3 A K E +a 100 0A 65 -2,-0.2 29,-2.7 96,-0.2 30,-1.0 -0.802 34.5 174.1 -87.4 113.9 4.3 -22.2 3.1 4 4 A I E -ab 101 33A 0 96,-2.8 98,-2.5 -2,-0.8 30,-0.2 -0.983 19.4-148.4-125.7 123.6 4.1 -22.2 -0.7 5 5 A G E -ab 102 34A 0 28,-2.4 30,-3.1 -2,-0.4 2,-0.4 -0.560 8.3-153.0 -83.9 153.3 4.4 -25.2 -2.9 6 6 A I E -ab 103 35A 0 96,-2.8 98,-3.0 28,-0.2 2,-0.5 -0.998 11.2-177.0-126.4 129.6 5.9 -25.1 -6.4 7 7 A I E -ab 104 36A 14 28,-2.3 30,-2.8 -2,-0.4 2,-0.3 -0.962 15.4-170.4-126.3 112.8 5.0 -27.5 -9.2 8 8 A G E + b 0 37A 10 96,-0.5 2,-0.3 -2,-0.5 3,-0.1 -0.689 24.3 105.6-107.9 159.7 7.0 -26.9 -12.4 9 9 A G E S- b 0 38A 1 28,-1.5 30,-2.8 -2,-0.3 -2,-0.0 -0.926 73.3 -83.0 158.6 179.3 6.7 -28.3 -16.0 10 10 A T - 0 0 8 -2,-0.3 -1,-0.1 28,-0.2 31,-0.1 0.638 46.1-147.1 -88.7 -15.3 5.7 -27.3 -19.5 11 11 A F - 0 0 2 2,-0.2 49,-0.1 1,-0.2 48,-0.1 0.948 24.1-178.6 45.6 68.0 2.0 -28.1 -18.9 12 12 A D S S- 0 0 6 1,-0.9 -1,-0.2 47,-0.1 148,-0.1 -0.532 85.1 -8.1-136.8 60.4 1.6 -29.2 -22.5 13 13 A P S S- 0 0 0 0, 0.0 -1,-0.9 0, 0.0 -2,-0.2 0.523 90.3-136.6 -98.4 166.5 -1.3 -29.7 -21.8 14 14 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 141,-0.1 -0.483 35.8 173.7 -69.1 148.5 -2.1 -29.4 -18.1 15 15 A H >> - 0 0 8 -2,-0.1 4,-1.7 158,-0.1 3,-0.7 -0.858 48.5 -79.5-147.6-178.4 -4.4 -32.2 -17.0 16 16 A Y H 3> S+ 0 0 91 156,-2.2 4,-2.8 -2,-0.3 5,-0.2 0.801 121.0 63.7 -57.6 -31.5 -6.1 -33.8 -14.0 17 17 A G H 3> S+ 0 0 7 155,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.905 104.2 45.9 -62.0 -41.1 -2.8 -35.6 -13.1 18 18 A H H <> S+ 0 0 25 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.919 114.1 48.6 -64.0 -48.0 -1.1 -32.3 -12.4 19 19 A L H X S+ 0 0 29 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.888 110.0 51.4 -59.7 -43.5 -4.1 -31.0 -10.4 20 20 A L H X S+ 0 0 65 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.899 111.3 47.9 -63.5 -41.6 -4.3 -34.2 -8.3 21 21 A I H X S+ 0 0 51 -4,-1.8 4,-2.1 -5,-0.2 5,-0.2 0.949 113.4 45.8 -64.1 -49.5 -0.6 -33.9 -7.5 22 22 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.934 115.0 49.6 -58.9 -45.4 -0.7 -30.3 -6.5 23 23 A N H X S+ 0 0 45 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.918 107.8 52.0 -60.9 -43.5 -3.8 -30.9 -4.5 24 24 A E H X S+ 0 0 78 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.905 113.5 44.2 -64.5 -39.5 -2.4 -33.9 -2.6 25 25 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 6,-0.3 0.911 110.4 55.3 -71.2 -41.2 0.7 -31.9 -1.6 26 26 A Y H X>S+ 0 0 47 -4,-2.6 5,-1.8 -5,-0.2 4,-0.6 0.946 117.1 36.0 -52.4 -51.1 -1.4 -28.8 -0.7 27 27 A H H <5S+ 0 0 116 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.893 116.7 52.3 -71.8 -41.6 -3.5 -30.9 1.7 28 28 A A H <5S+ 0 0 61 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.839 122.6 29.2 -64.3 -37.2 -0.8 -33.2 3.0 29 29 A L H <5S- 0 0 38 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.389 103.8-125.5-105.8 -0.2 1.6 -30.4 4.0 30 30 A N T <5 - 0 0 131 -4,-0.6 -3,-0.2 -5,-0.2 -27,-0.2 0.948 42.7-177.8 52.5 53.7 -1.1 -27.9 4.7 31 31 A L < - 0 0 3 -5,-1.8 -27,-0.2 -6,-0.3 3,-0.1 -0.367 34.9-132.4 -75.4 162.8 0.3 -25.3 2.4 32 32 A E S S- 0 0 86 -29,-2.7 2,-0.3 1,-0.3 -28,-0.2 0.872 84.4 -17.0 -77.1 -42.9 -1.2 -21.8 2.0 33 33 A E E -b 4 0A 40 -30,-1.0 -28,-2.4 2,-0.0 2,-0.4 -0.962 56.1-130.8-153.7 162.2 -1.1 -22.2 -1.8 34 34 A V E -bc 5 70A 0 35,-2.2 37,-1.8 -2,-0.3 2,-0.6 -0.998 21.8-151.4-117.8 128.5 0.5 -24.1 -4.6 35 35 A W E -bc 6 71A 17 -30,-3.1 -28,-2.3 -2,-0.4 2,-0.5 -0.896 8.0-141.9 -97.9 124.5 2.1 -22.1 -7.5 36 36 A F E -bc 7 72A 1 35,-3.3 37,-3.0 -2,-0.6 -28,-0.2 -0.722 14.8-158.4 -78.9 128.2 2.2 -23.7 -10.9 37 37 A L E -b 8 0A 0 -30,-2.8 -28,-1.5 -2,-0.5 2,-0.2 -0.801 3.9-154.4-116.1 87.1 5.5 -22.7 -12.6 38 38 A P E -b 9 0A 1 0, 0.0 39,-0.4 0, 0.0 -28,-0.2 -0.456 17.0-135.2 -64.9 126.6 5.3 -23.1 -16.4 39 39 A N - 0 0 6 -30,-2.8 2,-0.2 -2,-0.2 38,-0.1 -0.418 14.1-114.8 -77.1 155.3 8.7 -23.7 -17.9 40 40 A Q - 0 0 22 41,-0.1 43,-0.2 -2,-0.1 -1,-0.1 -0.588 25.5-145.9 -82.2 152.0 10.1 -22.0 -21.0 41 41 A I - 0 0 18 -2,-0.2 12,-0.1 39,-0.1 3,-0.1 -0.987 12.5-127.1-121.1 129.6 10.7 -24.1 -24.1 42 42 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 39,-0.1 -0.407 44.3 -85.1 -66.9 150.6 13.6 -23.4 -26.5 43 43 A P - 0 0 104 0, 0.0 6,-0.1 0, 0.0 38,-0.0 -0.276 59.7 -86.9 -57.1 143.7 12.6 -23.0 -30.2 44 44 A H - 0 0 47 4,-0.3 3,-0.3 1,-0.1 285,-0.2 -0.088 29.2-142.8 -55.2 151.2 12.4 -26.4 -32.1 45 45 A K S S+ 0 0 83 283,-2.7 -1,-0.1 1,-0.2 284,-0.1 0.791 91.4 30.1 -85.7 -30.9 15.6 -27.7 -33.6 46 46 A Q S S- 0 0 132 282,-0.4 -1,-0.2 283,-0.0 -2,-0.1 -0.237 118.8 -83.8-133.2 45.5 14.2 -29.2 -36.8 47 47 A G S S+ 0 0 65 -3,-0.3 2,-0.1 1,-0.2 -2,-0.0 0.619 86.3 128.5 71.4 15.2 11.2 -27.3 -37.9 48 48 A R - 0 0 137 280,-0.2 -4,-0.3 1,-0.1 2,-0.2 -0.439 60.4 -81.6 -97.7 176.4 8.6 -29.1 -35.7 49 49 A N - 0 0 73 -2,-0.1 2,-0.4 -6,-0.1 -1,-0.1 -0.521 30.8-177.5 -84.9 138.8 6.1 -27.6 -33.3 50 50 A I - 0 0 58 -2,-0.2 2,-0.3 -6,-0.1 3,-0.1 -0.981 39.6-111.1-118.5 142.4 6.4 -26.3 -29.8 51 51 A T - 0 0 11 -2,-0.4 -10,-0.1 1,-0.1 5,-0.0 -0.546 44.0-104.7 -69.6 134.9 3.2 -25.1 -28.2 52 52 A S > - 0 0 40 -2,-0.3 4,-2.6 1,-0.1 5,-0.3 -0.090 14.5-120.4 -63.5 155.4 3.3 -21.3 -27.7 53 53 A V H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.929 116.5 52.5 -55.0 -46.4 3.9 -19.6 -24.4 54 54 A E H > S+ 0 0 137 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.892 111.5 45.7 -58.8 -42.3 0.5 -17.9 -24.8 55 55 A S H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 113.5 46.9 -70.2 -41.9 -1.3 -21.2 -25.4 56 56 A R H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.912 113.5 50.2 -67.5 -38.9 0.3 -23.1 -22.6 57 57 A L H X S+ 0 0 46 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.936 110.2 49.3 -65.3 -45.9 -0.3 -20.2 -20.2 58 58 A Q H X S+ 0 0 72 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.914 110.8 49.4 -61.9 -43.4 -4.0 -19.9 -21.2 59 59 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.918 110.8 50.9 -58.1 -42.8 -4.6 -23.7 -20.8 60 60 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 5,-0.3 0.910 109.1 51.4 -63.7 -42.0 -2.9 -23.4 -17.3 61 61 A E H >X S+ 0 0 84 -4,-2.5 4,-3.7 1,-0.2 3,-0.7 0.978 111.8 46.2 -53.6 -58.8 -5.2 -20.5 -16.4 62 62 A L H 3< S+ 0 0 28 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.840 112.7 51.2 -52.9 -36.4 -8.3 -22.5 -17.5 63 63 A A H 3< S+ 0 0 11 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.803 124.2 26.2 -75.0 -28.2 -7.0 -25.6 -15.6 64 64 A T H X< S+ 0 0 6 -4,-1.7 3,-2.7 -3,-0.7 6,-0.3 0.732 90.5 98.0-109.6 -27.6 -6.4 -23.7 -12.3 65 65 A E T 3< S+ 0 0 89 -4,-3.7 -3,-0.1 -5,-0.3 -2,-0.1 0.691 83.5 53.0 -30.7 -42.7 -8.8 -20.7 -12.4 66 66 A A T 3 S+ 0 0 90 -4,-0.3 2,-0.8 1,-0.1 -1,-0.3 0.646 91.6 78.6 -80.7 -15.7 -11.5 -22.4 -10.2 67 67 A E X - 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