==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-FEB-05 1YT5 . COMPND 2 MOLECULE: INORGANIC POLYPHOSPHATE/ATP-NAD KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR BERKELEY STRUCTURAL GENOMICS CENTER (BSGC) . 1020 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46813.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 731 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 259 25.4 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 . 8 0.8 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 0.1 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 . 95 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.7 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 2 3 5 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 6 1 1 6 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 8 20 0 0 1 3 0 4 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 0 0 0 1 3 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 82 0, 0.0 26,-2.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 144.2 76.3 56.4 17.7 2 2 A K E +a 27 0A 114 24,-0.2 41,-2.1 26,-0.1 42,-0.7 -0.829 360.0 177.7-101.8 119.3 78.1 54.5 20.5 3 3 A I E -ab 28 44A 0 24,-2.6 26,-2.2 -2,-0.5 27,-0.8 -0.959 19.6-157.1-130.1 130.0 81.9 54.4 20.2 4 4 A A E -ab 30 45A 0 40,-2.3 42,-2.9 -2,-0.4 2,-0.4 -0.805 13.1-154.3 -98.2 149.1 84.7 53.0 22.4 5 5 A I E -ab 31 46A 0 25,-2.2 27,-2.2 -2,-0.3 2,-0.4 -0.988 10.8-176.0-126.5 125.3 88.2 54.4 22.1 6 6 A L E -ab 32 47A 0 40,-3.0 42,-2.8 -2,-0.4 2,-0.3 -0.960 7.5-171.7-120.6 133.1 91.3 52.4 23.0 7 7 A Y E -ab 33 48A 13 25,-2.2 27,-2.4 -2,-0.4 28,-0.4 -0.908 24.5-107.7-129.0 157.9 94.9 53.8 22.9 8 8 A R > - 0 0 84 40,-2.3 3,-1.8 -2,-0.3 7,-0.2 -0.288 50.1 -90.2 -73.5 158.8 98.5 52.6 23.2 9 9 A E G > S+ 0 0 111 1,-0.3 3,-0.8 2,-0.2 -2,-0.0 0.863 119.9 28.7 -41.2 -67.4 100.5 53.4 26.4 10 10 A E G 3 S+ 0 0 185 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.187 107.6 75.2 -90.7 21.6 102.2 56.8 25.6 11 11 A R G X> + 0 0 68 -3,-1.8 4,-2.2 37,-0.1 3,-0.6 0.231 54.8 115.6-113.7 14.3 99.5 58.0 23.3 12 12 A E H <> S+ 0 0 72 -3,-0.8 4,-2.5 1,-0.2 5,-0.1 0.908 76.4 51.5 -51.9 -49.1 96.8 58.8 25.9 13 13 A K H 3> S+ 0 0 156 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.846 109.1 51.8 -59.6 -34.4 96.8 62.6 25.1 14 14 A E H <> S+ 0 0 59 -3,-0.6 4,-2.2 2,-0.2 -1,-0.3 0.913 107.3 52.7 -61.2 -45.5 96.3 61.7 21.4 15 15 A G H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.911 107.6 52.7 -56.8 -45.6 93.4 59.5 22.4 16 16 A E H X S+ 0 0 74 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.882 106.2 51.8 -59.6 -47.0 92.0 62.6 24.3 17 17 A F H X S+ 0 0 96 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.931 112.7 45.9 -49.4 -50.0 92.2 64.7 21.2 18 18 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.937 109.3 55.2 -64.2 -47.1 90.3 62.1 19.2 19 19 A K H X S+ 0 0 62 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.903 108.4 47.8 -48.4 -51.7 87.7 61.7 21.9 20 20 A E H < S+ 0 0 163 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.932 112.9 47.5 -62.6 -45.1 86.9 65.4 21.9 21 21 A K H >< S+ 0 0 47 -4,-2.0 3,-1.0 1,-0.2 4,-0.3 0.919 115.7 45.4 -58.9 -40.9 86.6 65.6 18.1 22 22 A I H >X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 3,-1.4 0.831 99.4 71.1 -77.3 -28.8 84.4 62.5 18.0 23 23 A S T 3< S+ 0 0 59 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.608 82.3 72.9 -59.5 -15.1 82.2 63.7 20.9 24 24 A K T <4 S+ 0 0 152 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.1 0.795 117.3 14.6 -72.8 -30.4 80.6 66.4 18.7 25 25 A E T <4 S+ 0 0 79 -3,-1.4 2,-0.3 -4,-0.3 -2,-0.2 0.522 127.4 39.9-118.7 -16.3 78.5 63.9 16.7 26 26 A H S < S- 0 0 15 -4,-1.8 2,-0.6 -23,-0.0 -24,-0.2 -0.912 75.4-108.5-139.4 160.6 78.7 60.6 18.8 27 27 A E E -a 2 0A 132 -26,-2.2 -24,-2.6 -2,-0.3 2,-0.7 -0.811 25.3-147.9 -90.2 121.9 78.6 59.2 22.3 28 28 A V E -a 3 0A 29 -2,-0.6 -24,-0.2 -26,-0.2 3,-0.1 -0.839 18.1-179.5 -90.5 114.3 82.0 57.9 23.5 29 29 A I E + 0 0 68 -26,-2.2 2,-0.3 -2,-0.7 -25,-0.2 0.609 62.4 16.4 -93.6 -17.3 81.1 55.0 25.8 30 30 A E E -a 4 0A 65 -27,-0.8 -25,-2.2 2,-0.0 2,-0.3 -0.975 55.1-174.2-159.4 142.1 84.5 53.9 26.9 31 31 A F E +a 5 0A 53 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.946 33.2 114.4-145.1 117.7 88.0 55.3 26.8 32 32 A G E -a 6 0A 17 -27,-2.2 -25,-2.2 -2,-0.3 2,-0.3 -0.989 59.2 -56.8-170.3-178.5 91.0 53.3 27.9 33 33 A E E -a 7 0A 66 -2,-0.3 -25,-0.2 -27,-0.2 3,-0.2 -0.513 34.0-136.1 -76.2 131.9 94.3 51.5 27.4 34 34 A A S S+ 0 0 4 -27,-2.4 -1,-0.1 -2,-0.3 -26,-0.1 0.693 107.2 62.5 -56.4 -19.4 94.5 48.8 24.8 35 35 A N S S+ 0 0 91 -28,-0.4 -1,-0.2 2,-0.1 -27,-0.1 0.946 76.9 96.1 -67.3 -58.5 96.5 47.0 27.6 36 36 A A S S- 0 0 46 -3,-0.2 2,-0.0 1,-0.1 -4,-0.0 -0.062 78.4-123.2 -39.7 127.7 93.7 46.9 30.2 37 37 A P + 0 0 126 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.352 60.3 95.5 -66.9 158.1 91.9 43.4 30.2 38 38 A G S S- 0 0 45 2,-0.0 2,-0.2 -2,-0.0 0, 0.0 -0.184 72.0 -83.2 129.7 141.8 88.1 43.4 29.6 39 39 A R - 0 0 130 -2,-0.1 2,-0.5 22,-0.1 22,-0.2 -0.503 37.7-154.1 -73.0 136.7 85.4 43.0 27.0 40 40 A V B -o 61 0B 0 20,-2.0 22,-2.3 -2,-0.2 2,-0.4 -0.960 10.0-173.3-114.7 121.3 84.5 46.1 25.0 41 41 A T + 0 0 44 -2,-0.5 2,-0.3 20,-0.2 20,-0.0 -0.962 25.5 126.7-118.4 131.7 81.1 46.5 23.4 42 42 A A - 0 0 11 -2,-0.4 -39,-0.2 20,-0.1 3,-0.1 -0.947 69.5-105.9-164.5 162.9 80.3 49.4 21.1 43 43 A D S S+ 0 0 29 -41,-2.1 2,-0.3 1,-0.3 -40,-0.2 0.580 109.9 6.0 -74.1 -7.8 78.9 50.0 17.6 44 44 A L E -b 3 0A 0 -42,-0.7 -40,-2.3 21,-0.1 2,-0.5 -0.875 65.5-144.8-176.9 134.6 82.5 50.8 16.8 45 45 A I E -bc 4 67A 0 21,-2.1 23,-2.1 -2,-0.3 2,-0.5 -0.961 11.3-156.7-112.1 123.5 86.0 50.8 18.4 46 46 A V E -bc 5 68A 0 -42,-2.9 -40,-3.0 -2,-0.5 2,-0.5 -0.885 11.7-160.2 -95.8 128.2 88.6 53.5 17.6 47 47 A V E -bc 6 69A 0 21,-3.5 23,-2.8 -2,-0.5 2,-0.7 -0.939 7.8-160.8-115.6 123.5 92.2 52.4 18.2 48 48 A V E +bc 7 70A 0 -42,-2.8 -40,-2.3 -2,-0.5 2,-0.3 -0.903 64.2 42.6-104.5 111.6 95.0 54.9 18.6 49 49 A G E S- c 0 71A 0 21,-1.5 23,-4.0 -2,-0.7 25,-0.2 -0.922 88.5 -68.8 158.0-133.4 98.4 53.2 18.0 50 50 A G > - 0 0 7 -2,-0.3 4,-2.9 21,-0.2 5,-0.2 -0.601 63.9 -60.2-139.5-162.4 99.6 50.6 15.4 51 51 A D H > S+ 0 0 40 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.914 133.2 53.8 -57.8 -42.9 99.2 47.0 14.2 52 52 A G H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.944 112.2 44.2 -52.6 -52.4 100.4 45.9 17.6 53 53 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.865 112.6 50.5 -61.5 -39.7 97.7 48.1 19.3 54 54 A V H X S+ 0 0 2 -4,-2.9 4,-3.5 2,-0.2 3,-0.2 0.947 107.6 55.4 -68.0 -44.0 95.0 47.0 16.9 55 55 A L H X S+ 0 0 22 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.919 109.8 45.1 -48.2 -55.1 95.9 43.4 17.6 56 56 A K H < S+ 0 0 78 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.791 114.4 49.4 -62.0 -32.0 95.5 43.9 21.4 57 57 A A H >X S+ 0 0 0 -4,-1.8 3,-1.8 -3,-0.2 4,-1.5 0.912 103.9 59.6 -74.1 -42.7 92.2 45.7 20.8 58 58 A A H 3< S+ 0 0 7 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.774 103.5 52.1 -52.2 -33.1 90.9 43.0 18.4 59 59 A K T 3< S+ 0 0 94 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.602 109.9 49.3 -81.4 -12.9 91.2 40.5 21.3 60 60 A K T <4 S+ 0 0 20 -3,-1.8 -20,-2.0 -4,-0.3 -2,-0.2 0.722 91.0 105.4 -92.3 -25.9 89.2 42.8 23.6 61 61 A A B < S-o 40 0B 20 -4,-1.5 2,-0.2 -22,-0.2 -20,-0.2 -0.279 79.1-111.5 -63.2 131.0 86.3 43.4 21.1 62 62 A A > - 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0 0 2 -2,-0.5 3,-0.1 3,-0.1 -5,-0.1 -0.791 52.3-110.1-137.3-175.8 100.9 49.3 9.3 77 77 A F S S+ 0 0 7 -2,-0.2 169,-0.1 1,-0.2 170,-0.0 0.630 111.0 55.3 -91.9 -17.4 98.4 47.2 7.6 78 78 A L S S+ 0 0 3 -10,-0.0 2,-0.3 79,-0.0 -9,-0.3 0.448 87.9 90.1-102.6 1.3 95.7 47.4 10.3 79 79 A T - 0 0 4 -3,-0.1 -9,-0.2 1,-0.1 3,-0.1 -0.757 48.5-175.4 -98.2 144.6 95.5 51.3 10.5 80 80 A S + 0 0 9 -11,-2.5 2,-0.3 -2,-0.3 -10,-0.2 0.767 59.3 28.7-111.0 -29.1 93.0 53.1 8.4 81 81 A Y B -e 70 0A 1 -12,-2.1 -10,-2.6 156,-0.1 -1,-0.2 -0.963 60.4-133.4-140.4 148.3 93.6 56.8 9.0 82 82 A T > - 0 0 43 -2,-0.3 3,-1.2 -12,-0.2 -10,-0.1 -0.588 37.7-108.7 -90.0 164.1 96.2 59.4 9.9 83 83 A L G > S+ 0 0 55 -12,-0.4 3,-1.6 1,-0.3 4,-0.2 0.826 117.7 59.4 -64.6 -35.1 95.5 62.0 12.5 84 84 A D G 3 S+ 0 0 134 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.609 100.9 59.5 -70.4 -6.4 95.4 64.8 9.9 85 85 A E G <> + 0 0 58 -3,-1.2 4,-2.3 1,-0.2 3,-0.3 0.206 68.2 113.7-102.1 14.6 92.6 62.9 8.2 86 86 A I H <> S+ 0 0 8 -3,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.845 76.3 51.3 -57.1 -41.1 90.3 63.0 11.3 87 87 A D H > S+ 0 0 102 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.863 108.1 52.8 -63.6 -39.0 87.7 65.2 9.5 88 88 A R H > S+ 0 0 76 -3,-0.3 4,-3.0 2,-0.2 5,-0.2 0.937 108.4 51.1 -56.9 -50.1 87.7 62.8 6.6 89 89 A F H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.909 108.9 50.5 -51.4 -47.1 87.0 60.0 9.1 90 90 A L H X S+ 0 0 6 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.889 112.3 47.8 -63.7 -38.4 84.1 62.0 10.6 91 91 A E H X S+ 0 0 119 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.893 113.5 45.8 -64.6 -45.6 82.6 62.5 7.2 92 92 A D H <>S+ 0 0 12 -4,-3.0 5,-3.2 1,-0.2 3,-0.3 0.922 114.3 50.4 -64.4 -41.4 83.0 58.8 6.2 93 93 A L H ><5S+ 0 0 1 -4,-2.9 3,-2.3 -5,-0.2 -2,-0.2 0.925 99.5 63.5 -61.0 -53.0 81.5 57.8 9.5 94 94 A R H 3<5S+ 0 0 127 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.831 119.6 26.2 -32.4 -50.9 78.5 60.2 9.2 95 95 A N T 3<5S- 0 0 120 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.210 107.8-119.2-102.0 10.5 77.4 58.1 6.1 96 96 A W T < 5 + 0 0 32 -3,-2.3 2,-1.1 1,-0.2 -3,-0.2 0.920 51.5 168.5 37.8 58.0 79.0 54.8 7.1 97 97 A N < + 0 0 78 -5,-3.2 2,-0.3 -6,-0.1 -1,-0.2 -0.725 23.4 118.7-100.3 84.3 81.1 55.0 3.9 98 98 A F - 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