==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-MAR-10 3AFO . COMPND 2 MOLECULE: NADH KINASE POS5; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR T.ANDO,K.OHASHI,A.OCHIAI,H.MIYAGI,S.KAWAI,B.MIKAMI,K.MURATA . 701 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30703.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 487 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 151 21.5 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 . 4 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 . 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 . 73 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 3 3 3 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 2 1 5 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 2 9 7 4 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 . 0 0 0 0 0 0 0 0 0 2 2 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 27 A L 0 0 131 0, 0.0 2,-0.5 0, 0.0 9,-0.3 0.000 360.0 360.0 360.0 133.5 55.6 23.3 21.4 2 28 A Q - 0 0 169 7,-0.1 2,-0.3 2,-0.0 81,-0.1 -0.653 360.0-146.1 -84.4 123.4 56.4 24.8 18.0 3 29 A S - 0 0 36 -2,-0.5 77,-0.1 5,-0.1 78,-0.1 -0.629 10.2-140.3 -78.0 143.8 57.9 22.6 15.3 4 30 A G S S+ 0 0 26 -2,-0.3 2,-0.3 76,-0.2 -1,-0.1 0.120 83.4 44.6 -91.2 20.1 60.4 24.3 13.0 5 31 A S > - 0 0 30 3,-0.3 3,-1.3 1,-0.0 -1,-0.1 -0.947 68.7-137.3-161.0 141.4 59.0 22.4 10.0 6 32 A K T 3 S+ 0 0 196 -2,-0.3 78,-0.1 1,-0.2 -1,-0.0 0.524 107.1 67.4 -71.4 -8.2 55.6 21.5 8.4 7 33 A F T 3 S+ 0 0 70 79,-0.2 91,-3.3 76,-0.2 2,-0.4 0.401 98.9 58.2 -90.5 -1.2 57.2 18.0 7.9 8 34 A V E < -a 98 0A 3 -3,-1.3 2,-0.4 89,-0.3 -3,-0.3 -0.998 62.5-169.1-131.2 129.1 57.3 17.4 11.6 9 35 A K E -a 99 0A 106 89,-2.7 91,-2.4 -2,-0.4 2,-0.6 -0.982 14.0-147.4-114.2 131.8 54.5 17.4 14.1 10 36 A I E -a 100 0A 31 -2,-0.4 91,-0.2 -9,-0.3 -7,-0.1 -0.890 24.1-174.9 -98.3 118.5 55.2 17.3 17.8 11 37 A K E -a 101 0A 55 89,-2.3 91,-2.3 -2,-0.6 2,-0.1 -0.852 32.8 -94.1-117.6 148.9 52.5 15.4 19.8 12 38 A P E > -a 102 0A 69 0, 0.0 3,-1.7 0, 0.0 91,-0.2 -0.375 27.5-139.5 -58.4 130.6 51.8 14.7 23.5 13 39 A V G > S+ 0 0 0 89,-2.4 3,-2.5 1,-0.3 90,-0.1 0.756 97.9 76.1 -65.8 -23.1 53.5 11.4 24.6 14 40 A N G 3 S+ 0 0 83 88,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.596 77.8 76.2 -63.9 -7.9 50.3 10.7 26.6 15 41 A N G < S+ 0 0 98 -3,-1.7 -1,-0.3 2,-0.1 2,-0.2 0.608 86.6 82.4 -70.8 -13.9 48.7 9.9 23.3 16 42 A L S < S- 0 0 15 -3,-2.5 2,-0.1 -4,-0.1 3,-0.1 -0.583 87.2-103.6 -94.9 158.2 50.7 6.6 23.5 17 43 A R - 0 0 201 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.363 46.2 -84.1 -76.0 154.2 49.9 3.4 25.3 18 44 A S - 0 0 93 1,-0.1 93,-0.3 -2,-0.1 -1,-0.1 -0.137 62.6 -75.3 -53.5 151.3 51.5 2.3 28.6 19 45 A S - 0 0 50 91,-2.8 2,-0.7 1,-0.1 -1,-0.1 -0.085 34.6-137.5 -51.2 142.1 54.8 0.4 28.5 20 46 A S - 0 0 9 91,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.915 18.5-143.5-100.5 104.9 55.1 -3.2 27.5 21 47 A S - 0 0 64 -2,-0.7 14,-0.3 1,-0.1 15,-0.2 -0.555 21.7-137.4 -66.5 126.4 57.4 -4.9 29.9 22 48 A A - 0 0 9 -2,-0.3 2,-0.3 91,-0.2 12,-0.2 -0.189 12.8-108.7 -77.5 173.4 59.4 -7.5 27.9 23 49 A D E -B 33 0A 76 10,-2.9 10,-2.4 2,-0.0 2,-0.4 -0.832 18.2-155.1-103.1 148.1 60.3 -11.0 28.9 24 50 A F E -B 32 0A 34 -2,-0.3 2,-0.2 8,-0.2 8,-0.2 -0.762 13.2-172.4-126.2 85.2 63.8 -12.1 29.8 25 51 A V E B 31 0A 83 6,-1.1 6,-2.8 -2,-0.4 -2,-0.0 -0.554 360.0 360.0 -77.9 136.3 64.3 -15.8 29.2 26 52 A S 0 0 118 -2,-0.2 4,-0.1 4,-0.2 -2,-0.0 -0.926 360.0 360.0-123.9 360.0 67.6 -17.3 30.4 27 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 28 57 A K 0 0 119 0, 0.0 146,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -1.4 74.8 -15.5 31.2 29 58 A L - 0 0 25 144,-0.1 2,-0.5 309,-0.0 144,-0.2 -0.847 360.0-129.7-108.2 156.7 72.9 -13.2 28.9 30 59 A Q E - C 0 172A 33 142,-3.1 142,-3.1 -2,-0.3 2,-0.3 -0.921 18.3-121.3-108.3 133.4 69.1 -13.0 28.9 31 60 A S E -BC 25 171A 35 -6,-2.8 -6,-1.1 -2,-0.5 2,-0.8 -0.540 20.7-138.1 -67.2 128.7 67.0 -13.2 25.7 32 61 A L E +B 24 0A 0 138,-2.6 2,-0.5 -2,-0.3 138,-0.5 -0.827 30.1 173.7 -91.8 105.7 64.9 -10.1 25.1 33 62 A I E -B 23 0A 70 -10,-2.4 -10,-2.9 -2,-0.8 2,-0.5 -0.966 26.5-135.9-120.4 118.7 61.5 -11.4 23.9 34 63 A W - 0 0 19 -2,-0.5 -12,-0.1 -12,-0.2 4,-0.1 -0.617 14.9-171.4 -76.5 119.0 58.7 -8.9 23.5 35 64 A Q S S+ 0 0 145 -2,-0.5 -1,-0.2 -14,-0.3 -13,-0.1 0.964 88.7 30.2 -71.8 -56.2 55.3 -10.1 24.9 36 65 A N S S- 0 0 81 -15,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.847 115.2 -93.1 -90.4 141.3 53.5 -7.1 23.3 37 66 A P - 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.153 45.8 -97.0 -53.8 145.8 55.3 -6.0 20.1 38 67 A L + 0 0 2 128,-0.4 3,-0.1 1,-0.2 31,-0.1 -0.515 64.7 138.4 -66.0 126.0 57.9 -3.2 20.4 39 68 A Q + 0 0 72 -2,-0.3 32,-3.4 1,-0.2 2,-0.9 0.605 46.1 68.3-132.6 -52.3 56.3 0.2 19.6 40 69 A N E -d 71 0A 4 30,-0.2 73,-2.4 71,-0.2 74,-1.5 -0.701 58.1-177.6 -89.3 103.7 57.4 3.1 21.9 41 70 A V E -de 72 114A 0 30,-2.9 32,-2.7 -2,-0.9 2,-0.5 -0.890 10.8-159.2-108.1 112.4 61.0 3.9 21.4 42 71 A Y E -de 73 115A 6 72,-2.6 74,-3.1 -2,-0.7 2,-0.5 -0.798 11.9-164.4 -89.1 125.0 62.5 6.7 23.6 43 72 A I E + e 0 116A 1 30,-2.8 32,-0.4 -2,-0.5 2,-0.3 -0.942 9.9 178.3-119.0 127.4 65.7 8.2 22.1 44 73 A T E - e 0 117A 16 72,-2.5 74,-2.0 -2,-0.5 2,-0.3 -0.895 5.9-168.3-122.2 154.9 68.2 10.3 24.0 45 74 A K E - e 0 118A 19 -2,-0.3 74,-0.2 72,-0.2 8,-0.0 -0.960 35.8 -92.2-140.1 157.7 71.5 11.9 22.8 46 75 A K > - 0 0 93 72,-2.3 3,-0.7 -2,-0.3 6,-0.2 -0.576 57.4-118.6 -66.2 125.2 74.6 13.6 24.1 47 76 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 -0.227 83.8 15.7 -70.6 158.2 73.7 17.3 24.0 48 77 A W T 3 S+ 0 0 235 1,-0.1 -2,-0.0 2,-0.1 0, 0.0 0.764 92.2 117.4 52.7 34.6 75.5 19.9 21.9 49 78 A T X> - 0 0 26 -3,-0.7 4,-1.4 1,-0.1 3,-1.3 -0.933 56.2-150.9-134.3 111.5 77.3 17.4 19.7 50 79 A P H 3> S+ 0 0 90 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.820 92.9 59.4 -48.4 -46.6 76.5 17.4 16.0 51 80 A S H 3> S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.849 108.4 45.1 -53.9 -38.6 77.2 13.7 15.4 52 81 A T H <> S+ 0 0 0 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.828 112.6 49.4 -80.8 -31.4 74.5 12.7 17.9 53 82 A R H X S+ 0 0 81 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.921 114.6 46.8 -66.1 -44.0 71.9 15.2 16.6 54 83 A E H X S+ 0 0 132 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.904 113.0 48.9 -61.2 -44.0 72.7 13.9 13.1 55 84 A A H X S+ 0 0 2 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.875 108.8 53.4 -64.6 -39.9 72.5 10.3 14.3 56 85 A M H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.941 110.8 45.6 -61.2 -48.7 69.1 10.9 16.0 57 86 A V H X S+ 0 0 21 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.923 115.4 47.9 -60.0 -44.4 67.5 12.4 12.9 58 87 A E H X S+ 0 0 108 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.862 113.2 47.6 -65.5 -37.6 69.0 9.5 10.8 59 88 A F H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.942 113.0 47.0 -69.9 -46.7 67.8 6.9 13.3 60 89 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.865 110.0 54.4 -61.6 -40.8 64.2 8.3 13.5 61 90 A T H X S+ 0 0 36 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.942 109.0 49.1 -56.8 -49.0 64.0 8.6 9.7 62 91 A H H X S+ 0 0 19 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.900 111.4 48.3 -57.5 -45.9 64.9 4.9 9.6 63 92 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 7,-0.3 0.930 113.5 47.3 -61.3 -45.2 62.2 3.9 12.1 64 93 A H H < S+ 0 0 23 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.815 116.8 44.0 -67.9 -33.2 59.6 6.0 10.3 65 94 A E H < S+ 0 0 128 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.905 127.6 25.2 -73.3 -43.4 60.5 4.5 7.0 66 95 A S H < S+ 0 0 66 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.680 121.7 43.4-104.2 -22.6 60.8 0.8 8.1 67 96 A Y >< + 0 0 30 -4,-2.7 3,-2.0 -5,-0.3 -1,-0.2 -0.731 53.4 176.4-129.2 81.8 58.6 0.3 11.1 68 97 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.825 82.1 60.5 -54.0 -34.0 55.2 2.0 10.8 69 98 A E T 3 S+ 0 0 80 -31,-0.1 2,-0.2 2,-0.0 -5,-0.1 0.654 86.1 102.6 -67.9 -14.9 54.1 0.6 14.2 70 99 A V < - 0 0 5 -3,-2.0 2,-0.5 -7,-0.3 -30,-0.2 -0.504 56.4-158.0 -80.8 134.5 57.0 2.4 16.0 71 100 A N E -d 40 0A 32 -32,-3.4 -30,-2.9 -2,-0.2 2,-0.5 -0.960 11.8-142.1-112.7 126.3 56.4 5.6 18.0 72 101 A V E -d 41 0A 0 -2,-0.5 29,-3.2 27,-0.5 2,-0.4 -0.747 15.9-172.0 -93.7 123.3 59.3 7.9 18.6 73 102 A I E +df 42 101A 0 -32,-2.7 -30,-2.8 -2,-0.5 2,-0.3 -0.946 12.3 161.9-113.0 133.1 59.7 9.7 22.0 74 103 A V - 0 0 0 27,-2.1 29,-0.4 -2,-0.4 -30,-0.1 -0.909 45.2 -79.0-138.0 167.4 62.3 12.4 22.6 75 104 A Q > - 0 0 42 -32,-0.4 4,-2.6 -2,-0.3 5,-0.2 -0.271 43.7-113.8 -59.7 151.2 62.8 15.1 25.2 76 105 A P H > S+ 0 0 37 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.891 116.5 45.0 -57.4 -44.9 60.7 18.4 24.8 77 106 A D H > S+ 0 0 112 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.851 113.7 51.4 -69.8 -33.0 63.8 20.6 24.1 78 107 A V H > S+ 0 0 17 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.902 105.3 55.2 -67.7 -44.9 65.2 18.0 21.7 79 108 A A H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.936 113.8 41.5 -51.1 -51.3 61.8 17.7 19.8 80 109 A E H X S+ 0 0 91 -4,-1.8 4,-0.6 1,-0.2 -76,-0.2 0.893 114.8 52.8 -62.8 -43.1 62.0 21.5 19.2 81 110 A E H < S+ 0 0 59 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.922 117.2 34.7 -59.2 -48.6 65.8 21.3 18.4 82 111 A I H >< S+ 0 0 0 -4,-3.2 3,-1.7 1,-0.2 4,-0.5 0.556 91.6 91.1 -89.9 -9.7 65.5 18.6 15.8 83 112 A S H >< S+ 0 0 1 -4,-1.2 3,-1.0 1,-0.3 -1,-0.2 0.882 87.5 50.8 -56.1 -42.9 62.2 19.6 14.2 84 113 A Q T 3< S+ 0 0 117 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.1 0.641 98.0 72.4 -67.4 -13.6 63.9 21.9 11.6 85 114 A D T < S+ 0 0 41 -3,-1.7 2,-0.6 -4,-0.1 -1,-0.2 0.630 73.5 88.4 -80.2 -16.4 66.3 19.0 10.7 86 115 A F < - 0 0 4 -3,-1.0 -79,-0.2 -4,-0.5 -78,-0.1 -0.781 54.3-175.8 -86.9 122.3 63.8 16.8 8.8 87 116 A K + 0 0 168 -2,-0.6 -1,-0.1 1,-0.1 -3,-0.0 0.246 62.6 29.2-107.1 8.7 63.8 17.9 5.2 88 117 A S S S- 0 0 66 -81,-0.1 10,-0.2 5,-0.0 2,-0.1 -0.970 74.3-119.4-160.0 154.3 61.0 15.8 3.8 89 118 A P > - 0 0 10 0, 0.0 3,-1.0 0, 0.0 2,-0.2 -0.298 55.3 -65.7 -86.3-178.1 57.7 14.1 5.0 90 119 A L G > S- 0 0 26 6,-2.8 3,-2.8 3,-0.4 6,-0.2 -0.498 113.7 -8.7 -72.3 134.5 57.1 10.4 5.0 91 120 A E G 3 S- 0 0 151 1,-0.3 -1,-0.2 -2,-0.2 -26,-0.0 0.811 120.9 -70.4 52.6 35.4 56.9 8.7 1.6 92 121 A N G < S+ 0 0 142 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.1 0.615 102.2 134.0 58.8 16.4 56.9 12.1 -0.1 93 122 A D X - 0 0 62 -3,-2.8 3,-2.4 3,-0.2 -3,-0.4 -0.859 47.1-158.4-103.3 110.0 53.4 12.7 1.3 94 123 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.625 92.5 62.7 -63.1 -15.1 52.9 16.1 2.9 95 124 A N T 3 S+ 0 0 144 1,-0.2 -88,-0.0 -5,-0.1 -2,-0.0 0.377 96.3 63.8 -89.1 4.0 50.0 14.8 4.8 96 125 A R S < S+ 0 0 111 -3,-2.4 -6,-2.8 -6,-0.2 -1,-0.2 -0.655 72.6 176.9-125.2 74.3 52.3 12.4 6.6 97 126 A P - 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