==== 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 02-MAR-05 1Z0U . COMPND 2 MOLECULE: PROBABLE INORGANIC POLYPHOSPHATE/ATP-NAD KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR J.LIU,Y.LOU,H.YOKOTA,P.D.ADAMS,R.KIM,S.H.KIM,BERKELEY STRUCT . 496 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22720.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 24.8 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 1 0.2 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 . 36 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 0 0 2 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 0 6 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 . 0 2 4 4 4 2 2 0 0 2 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 2 0 0 0 2 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 0 113 0, 0.0 25,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 151.9 -11.8 42.9 8.4 2 2 A R E -a 26 0A 111 23,-0.2 39,-2.6 25,-0.0 40,-1.0 -0.997 360.0-171.4-123.4 123.6 -12.0 40.1 5.9 3 3 A A E -ab 27 42A 0 23,-3.2 25,-2.1 -2,-0.4 2,-0.4 -0.897 16.7-139.7-117.2 150.8 -12.6 36.5 7.2 4 4 A A E -ab 28 43A 0 38,-2.0 40,-3.2 -2,-0.3 2,-0.6 -0.908 11.4-156.4-103.3 130.9 -12.5 33.1 5.4 5 5 A V E -ab 29 44A 1 23,-2.2 25,-2.7 -2,-0.4 2,-0.5 -0.967 10.9-169.4-109.0 117.2 -15.2 30.6 6.3 6 6 A V E +ab 30 45A 3 38,-2.9 40,-2.8 -2,-0.6 2,-0.3 -0.951 12.3 172.8-112.4 121.6 -14.0 27.0 5.5 7 7 A Y E - b 0 46A 45 23,-1.9 40,-0.2 -2,-0.5 3,-0.1 -0.939 34.7-160.8-133.5 153.7 -16.6 24.3 5.8 8 8 A K S S+ 0 0 153 38,-1.1 2,-0.3 1,-0.4 -1,-0.1 0.857 92.7 17.3 -96.4 -51.2 -17.0 20.5 5.0 9 9 A T S S- 0 0 86 37,-0.2 -1,-0.4 0, 0.0 3,-0.3 -0.929 76.7-132.8-118.0 153.1 -20.8 20.5 5.0 10 10 A D > + 0 0 107 -2,-0.3 3,-0.5 1,-0.2 4,-0.4 -0.007 63.1 122.1 -97.9 30.3 -22.9 23.6 4.7 11 11 A G T 3 S+ 0 0 62 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 0.937 88.6 17.8 -53.9 -55.1 -25.5 23.1 7.5 12 12 A H T 3> S+ 0 0 83 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.184 92.1 108.8-108.9 15.0 -24.8 26.2 9.5 13 13 A V H <> S+ 0 0 11 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.873 75.3 55.2 -67.8 -39.6 -23.0 28.3 6.9 14 14 A K H > S+ 0 0 142 -4,-0.4 4,-2.1 -3,-0.2 -1,-0.2 0.915 108.6 47.8 -58.2 -47.4 -25.9 30.8 6.4 15 15 A R H > S+ 0 0 130 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.861 110.9 51.9 -62.6 -35.0 -26.1 31.7 10.1 16 16 A I H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.907 108.6 51.4 -68.9 -39.2 -22.3 32.1 10.2 17 17 A E H X S+ 0 0 72 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.909 111.3 47.8 -60.1 -42.6 -22.5 34.5 7.3 18 18 A E H X S+ 0 0 81 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.845 110.3 51.4 -70.1 -34.8 -25.2 36.5 9.0 19 19 A A H X S+ 0 0 12 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.951 111.0 47.2 -66.3 -45.6 -23.2 36.7 12.3 20 20 A L H <>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 -2,-0.2 0.813 111.1 53.5 -68.0 -29.0 -20.1 38.0 10.6 21 21 A K H ><5S+ 0 0 156 -4,-1.6 3,-2.6 3,-0.2 -1,-0.2 0.936 105.2 51.0 -69.0 -48.2 -22.3 40.5 8.7 22 22 A R H 3<5S+ 0 0 233 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.835 109.8 54.0 -58.9 -28.5 -23.8 41.8 12.0 23 23 A L T 3<5S- 0 0 36 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.303 116.6-117.8 -84.0 7.7 -20.1 42.1 13.1 24 24 A E T < 5 + 0 0 179 -3,-2.6 2,-0.4 1,-0.2 -3,-0.2 0.833 66.6 143.5 54.7 35.0 -19.3 44.2 10.0 25 25 A V < - 0 0 17 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.2 -0.885 50.9-127.1-103.0 135.6 -16.8 41.5 8.8 26 26 A E E -a 2 0A 113 -25,-2.7 -23,-3.2 -2,-0.4 2,-0.4 -0.662 29.2-147.8 -78.0 138.9 -16.4 40.8 5.0 27 27 A V E -a 3 0A 37 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.934 20.4-175.5-119.1 132.0 -16.8 37.0 4.3 28 28 A E E -a 4 0A 82 -25,-2.1 -23,-2.2 -2,-0.4 2,-0.4 -0.994 22.9-140.4-116.2 130.6 -15.3 34.7 1.6 29 29 A L E +a 5 0A 77 -2,-0.4 2,-0.4 -25,-0.2 -23,-0.2 -0.724 20.9 177.9 -98.9 136.5 -16.6 31.1 1.5 30 30 A F E -a 6 0A 24 -25,-2.7 -23,-1.9 -2,-0.4 4,-0.0 -0.999 19.8-173.7-130.3 132.3 -14.3 28.0 0.9 31 31 A N S S+ 0 0 95 -2,-0.4 -25,-0.1 -25,-0.2 -1,-0.1 0.377 83.1 36.5-108.3 8.3 -15.3 24.3 0.9 32 32 A Q S S- 0 0 141 23,-0.0 -1,-0.2 22,-0.0 -24,-0.0 -0.965 92.9-108.0-144.7 140.7 -11.7 23.1 0.5 33 33 A P + 0 0 40 0, 0.0 2,-0.3 0, 0.0 22,-0.1 -0.282 42.4 170.0 -60.6 152.3 -8.6 24.7 2.2 34 34 A S > - 0 0 40 21,-0.1 3,-2.1 -4,-0.0 24,-0.1 -0.964 49.4-104.4-156.0 162.8 -6.1 26.6 0.0 35 35 A E G > S+ 0 0 141 -2,-0.3 3,-1.8 1,-0.3 4,-0.2 0.679 110.2 79.3 -61.2 -20.2 -3.0 28.8 0.4 36 36 A E G > S+ 0 0 100 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.708 73.9 79.4 -58.1 -19.9 -5.3 31.7 -0.5 37 37 A L G X S+ 0 0 0 -3,-2.1 3,-0.7 1,-0.3 -1,-0.3 0.592 75.7 72.8 -67.4 -13.0 -6.5 31.5 3.2 38 38 A E G < S+ 0 0 35 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.732 82.8 72.8 -67.0 -22.5 -3.3 33.4 4.2 39 39 A N G < S+ 0 0 102 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.2 0.050 84.8 87.3 -83.2 27.3 -4.8 36.5 2.7 40 40 A F S < S- 0 0 17 -3,-0.7 -37,-0.2 1,-0.1 3,-0.1 -0.890 74.3-132.3-128.3 156.2 -7.4 36.9 5.5 41 41 A D S S- 0 0 38 -39,-2.6 2,-0.3 -2,-0.3 -38,-0.2 0.790 93.0 -8.1 -75.0 -30.7 -7.6 38.6 9.0 42 42 A F E -b 3 0A 0 -40,-1.0 -38,-2.0 21,-0.2 2,-0.4 -0.977 62.9-132.9-161.1 164.9 -9.1 35.5 10.4 43 43 A I E -bc 4 65A 0 21,-2.4 23,-2.5 -2,-0.3 2,-0.6 -0.976 8.0-155.1-124.9 126.4 -10.5 32.0 9.5 44 44 A V E -bc 5 66A 0 -40,-3.2 -38,-2.9 -2,-0.4 2,-0.5 -0.941 15.3-160.1-102.9 122.7 -13.7 30.4 10.7 45 45 A S E -bc 6 67A 1 21,-2.7 23,-3.5 -2,-0.6 2,-0.6 -0.912 6.6-167.1-110.1 121.9 -13.5 26.6 10.5 46 46 A V E +bc 7 68A 5 -40,-2.8 -38,-1.1 -2,-0.5 2,-0.3 -0.941 60.5 44.3-112.0 116.1 -16.7 24.6 10.5 47 47 A G E S- c 0 69A 1 21,-2.4 23,-2.4 -2,-0.6 24,-1.2 -0.957 92.4 -58.2 148.5-142.9 -16.1 20.9 11.1 48 48 A G > - 0 0 9 -2,-0.3 4,-1.3 22,-0.2 3,-0.1 -0.376 62.5 -68.7-122.5-160.2 -13.9 19.2 13.6 49 49 A D H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.910 129.0 56.8 -60.1 -47.4 -10.3 18.9 14.8 50 50 A G H > S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.817 101.7 56.9 -49.7 -38.8 -9.4 17.2 11.5 51 51 A T H > S+ 0 0 21 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.882 106.3 48.9 -63.5 -41.9 -10.8 20.2 9.6 52 52 A I H X S+ 0 0 0 -4,-1.3 4,-2.8 -3,-0.3 -2,-0.2 0.911 108.8 53.8 -62.6 -42.6 -8.4 22.5 11.4 53 53 A L H X S+ 0 0 15 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.933 109.6 47.3 -57.2 -45.8 -5.5 20.2 10.6 54 54 A R H < S+ 0 0 121 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.877 112.8 48.7 -66.0 -36.9 -6.3 20.2 6.9 55 55 A I H >< S+ 0 0 0 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.926 108.7 54.6 -63.5 -48.3 -6.6 24.1 6.9 56 56 A L H >< S+ 0 0 1 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.845 95.9 66.0 -58.3 -35.0 -3.3 24.3 8.8 57 57 A Q T 3< S+ 0 0 25 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.698 101.3 50.9 -59.4 -23.9 -1.5 22.3 6.1 58 58 A K T < S+ 0 0 80 -3,-1.8 2,-0.5 -4,-0.4 -1,-0.3 0.362 99.5 82.1 -91.6 1.8 -2.2 25.2 3.7 59 59 A L < + 0 0 5 -3,-2.0 3,-0.2 -4,-0.2 53,-0.1 -0.928 34.7 165.4-118.1 126.8 -0.8 27.9 6.0 60 60 A K S S+ 0 0 97 -2,-0.5 2,-0.4 1,-0.4 -1,-0.2 0.840 90.5 31.7 -88.8 -72.5 2.8 29.1 6.6 61 61 A R S S- 0 0 143 168,-0.0 -1,-0.4 166,-0.0 166,-0.1 -0.753 96.9-142.4 -79.8 133.6 2.0 32.3 8.3 62 62 A C - 0 0 12 -2,-0.4 3,-0.1 166,-0.3 -24,-0.1 -0.872 10.1-149.2-114.5 114.5 -1.3 31.6 10.1 63 63 A P - 0 0 8 0, 0.0 167,-0.3 0, 0.0 -21,-0.2 -0.525 49.8 -81.7 -67.4 148.8 -4.2 33.9 10.6 64 64 A P - 0 0 15 0, 0.0 -21,-2.4 0, 0.0 2,-0.4 -0.234 48.2-145.1 -56.4 132.0 -6.1 33.3 13.8 65 65 A I E -cd 43 231A 0 165,-1.5 167,-1.9 -23,-0.2 2,-0.5 -0.867 12.2-164.5-104.4 133.1 -8.6 30.4 13.5 66 66 A F E -c 44 0A 4 -23,-2.5 -21,-2.7 -2,-0.4 2,-0.5 -0.996 19.1-151.8-111.9 118.4 -12.0 30.2 15.3 67 67 A G E -c 45 0A 0 -2,-0.5 11,-2.9 9,-0.3 12,-1.6 -0.832 12.5-162.4-100.3 127.1 -13.3 26.6 15.2 68 68 A I E -ce 46 79A 1 -23,-3.5 -21,-2.4 -2,-0.5 2,-0.6 -0.955 25.9-136.0-104.7 116.6 -17.0 25.7 15.3 69 69 A N E +c 47 0A 27 10,-3.1 -21,-0.2 -2,-0.6 -23,-0.1 -0.654 49.8 144.5 -87.0 111.6 -17.2 22.0 16.2 70 70 A T + 0 0 65 -23,-2.4 -22,-0.2 -2,-0.6 -1,-0.2 0.430 67.7 78.1-107.4 -13.2 -19.5 19.7 14.4 71 71 A G S S- 0 0 43 -24,-1.2 -23,-0.1 -3,-0.2 -2,-0.0 0.659 96.5 -91.5 -61.7-135.3 -16.9 16.9 14.8 72 72 A R S S+ 0 0 187 0, 0.0 -3,-0.0 0, 0.0 176,-0.0 0.772 96.0 7.3-118.1 -72.2 -16.6 15.1 18.1 73 73 A V S S- 0 0 19 172,-0.0 -4,-0.1 3,-0.0 172,-0.0 0.938 73.1-160.2 -84.1 -50.3 -14.3 16.1 20.9 74 74 A G + 0 0 1 2,-0.1 3,-0.3 -6,-0.1 -5,-0.1 0.982 24.4 165.5 68.4 60.2 -13.0 19.4 19.5 75 75 A L S S+ 0 0 29 1,-0.2 -1,-0.1 169,-0.1 165,-0.0 0.767 83.4 43.4 -70.7 -25.7 -9.9 20.0 21.4 76 76 A L S S+ 0 0 10 -10,-0.0 -9,-0.3 77,-0.0 -1,-0.2 0.469 100.2 92.4 -95.6 -5.4 -9.0 22.7 18.8 77 77 A T - 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