==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-NOV-08 3FD5 . COMPND 2 MOLECULE: SELENIDE, WATER DIKINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.T.WANG . 694 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 492 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 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 . 46 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 0 0 4 1 3 2 1 2 0 0 0 2 1 1 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 0 8 2 1 1 0 2 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 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 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 9 A P > > 0 0 80 0, 0.0 3,-3.0 0, 0.0 5,-0.7 0.000 360.0 360.0 360.0 -40.2 37.1 33.8 61.8 2 10 A E G > 5 + 0 0 141 1,-0.3 3,-0.9 3,-0.2 6,-0.1 0.653 360.0 78.3 -49.4 -15.4 34.6 33.3 59.0 3 11 A S G 3 5S+ 0 0 107 1,-0.3 -1,-0.3 2,-0.1 0, 0.0 0.628 93.8 47.0 -69.8 -15.9 36.3 36.3 57.4 4 12 A Y G < 5S- 0 0 132 -3,-3.0 -1,-0.3 2,-0.1 -2,-0.1 -0.273 123.2 -93.5-124.4 45.6 39.2 34.2 56.2 5 13 A E T < 5S+ 0 0 109 -3,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.814 87.7 135.2 46.0 36.5 37.5 31.2 54.6 6 14 A L < - 0 0 22 -5,-0.7 -1,-0.2 1,-0.1 -2,-0.1 -0.836 64.2 -79.0-113.9 152.0 37.9 29.5 58.0 7 15 A D > - 0 0 92 -2,-0.3 3,-2.2 1,-0.2 -1,-0.1 -0.069 29.7-129.8 -41.3 137.3 35.4 27.4 60.1 8 16 A K T 3 S+ 0 0 72 1,-0.3 -1,-0.2 -7,-0.1 -6,-0.1 0.785 116.9 52.1 -58.1 -22.5 32.9 29.4 62.1 9 17 A S T 3 S+ 0 0 94 -8,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.245 77.8 126.4-101.4 9.2 34.3 27.1 64.8 10 18 A F < - 0 0 21 -3,-2.2 2,-0.4 -4,-0.0 -8,-0.1 -0.585 35.3-179.3 -69.2 124.5 38.0 27.9 64.2 11 19 A R > - 0 0 27 -2,-0.4 3,-1.9 1,-0.1 4,-0.3 -0.976 25.8-153.8-128.9 118.9 39.5 28.9 67.5 12 20 A L G > S+ 0 0 1 -2,-0.4 3,-1.6 60,-0.3 136,-0.2 0.898 98.6 57.1 -54.1 -40.6 43.2 29.9 67.8 13 21 A T G > S+ 0 0 7 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.531 84.3 82.3 -74.1 -4.5 43.2 28.9 71.5 14 22 A R G < S+ 0 0 107 -3,-1.9 2,-0.6 1,-0.2 -1,-0.3 0.766 78.3 73.3 -64.3 -22.2 42.1 25.4 70.5 15 23 A F G < S+ 0 0 7 -3,-1.6 133,-2.0 -4,-0.3 2,-0.3 -0.215 99.7 34.8 -97.5 43.3 45.8 24.6 69.7 16 24 A T S < S- 0 0 18 -2,-0.6 2,-0.5 -3,-0.6 476,-0.0 -0.902 87.1-102.9-165.6-177.6 47.1 24.4 73.3 17 25 A E - 0 0 44 -2,-0.3 2,-0.3 2,-0.0 -3,-0.1 -0.982 30.6-132.9-125.2 121.4 45.6 23.2 76.6 18 26 A L + 0 0 51 -2,-0.5 2,-0.4 -5,-0.1 52,-0.0 -0.546 24.7 177.9 -74.9 129.6 44.4 25.7 79.1 19 27 A K > - 0 0 65 -2,-0.3 3,-4.0 1,-0.1 -2,-0.0 -0.989 30.9-139.2-131.8 122.2 45.5 25.3 82.8 20 28 A G T 3 S+ 0 0 8 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.746 109.9 51.3 -50.8 -24.0 44.3 27.8 85.3 21 29 A T T 3 S- 0 0 103 1,-0.3 -1,-0.3 263,-0.1 3,-0.2 0.336 113.4-128.8 -96.2 4.6 47.8 27.6 86.7 22 30 A G < - 0 0 17 -3,-4.0 -1,-0.3 1,-0.2 -2,-0.0 -0.089 23.4 -80.5 76.5-175.2 49.4 28.2 83.3 23 31 A C S S+ 0 0 22 -3,-0.1 468,-3.0 2,-0.1 -1,-0.2 0.545 82.4 115.9-105.7 -10.3 52.0 26.1 81.5 24 32 A K B S-A 490 0A 51 466,-0.2 466,-0.2 211,-0.2 3,-0.1 -0.262 74.3-107.7 -60.4 144.2 55.4 27.2 83.1 25 33 A V - 0 0 8 464,-2.0 464,-0.1 1,-0.1 -1,-0.1 -0.576 55.4 -89.3 -67.6 134.8 57.4 24.7 85.1 26 34 A P > - 0 0 57 0, 0.0 4,-2.8 0, 0.0 3,-0.5 -0.107 27.8-120.3 -55.8 146.2 57.0 25.8 88.7 27 35 A Q H > S+ 0 0 64 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.836 113.2 51.0 -48.0 -40.3 59.4 28.2 90.1 28 36 A D H > S+ 0 0 116 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.831 112.3 43.5 -77.1 -34.8 60.5 25.7 92.8 29 37 A V H >> S+ 0 0 16 -3,-0.5 4,-2.5 2,-0.2 3,-1.1 0.971 107.6 58.9 -70.8 -56.4 61.1 22.8 90.3 30 38 A L H 3X S+ 0 0 30 -4,-2.8 4,-3.1 1,-0.3 -2,-0.2 0.830 103.2 54.6 -43.1 -39.9 62.9 25.0 87.8 31 39 A Q H 3X S+ 0 0 133 -4,-1.3 4,-1.0 -5,-0.3 -1,-0.3 0.922 109.8 45.2 -64.9 -41.4 65.5 25.9 90.5 32 40 A K H << S+ 0 0 56 -3,-1.1 3,-0.5 -4,-1.0 -2,-0.2 0.927 116.2 46.6 -64.1 -43.1 66.2 22.2 91.2 33 41 A L H >< S+ 0 0 3 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.930 119.9 40.0 -64.0 -42.6 66.4 21.5 87.5 34 42 A L H >< S+ 0 0 35 -4,-3.1 3,-1.9 -5,-0.3 -1,-0.2 0.430 84.1 96.3 -87.3 -5.3 68.6 24.5 86.9 35 43 A E T 3< S+ 0 0 156 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.1 0.554 75.2 68.1 -71.1 -1.6 70.8 24.3 90.0 36 44 A S T < 0 0 44 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.738 360.0 360.0 -75.7 -26.1 73.4 22.5 87.9 37 45 A L < 0 0 67 -3,-1.9 448,-0.1 -4,-0.1 434,-0.0 -0.355 360.0 360.0 -83.4 360.0 73.9 25.8 86.0 38 ! 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 39 61 A M 0 0 147 0, 0.0 19,-0.0 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 115.7 80.7 46.2 85.6 40 62 A P - 0 0 58 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.280 360.0-156.1 -64.5 153.3 77.6 44.7 87.1 41 63 A R - 0 0 137 10,-0.1 2,-0.5 18,-0.0 10,-0.2 -0.998 10.4-171.2-137.8 127.6 76.7 41.1 86.1 42 64 A L B +G 50 0B 8 8,-1.7 8,-2.8 -2,-0.4 3,-0.1 -0.983 12.7 170.8-122.9 118.3 73.3 39.4 86.1 43 65 A G > - 0 0 23 -2,-0.5 3,-0.6 1,-0.3 2,-0.1 0.142 52.5 -24.1 -96.6-145.2 73.1 35.6 85.6 44 66 A I T 3 S+ 0 0 80 440,-0.2 -1,-0.3 1,-0.2 442,-0.1 -0.459 109.3 61.3 -66.2 139.6 70.1 33.2 85.9 45 67 A G T 3 S+ 0 0 33 1,-0.4 -1,-0.2 -2,-0.1 2,-0.2 0.435 90.8 55.6 127.1 -0.6 67.4 34.4 88.3 46 68 A M S < S- 0 0 29 -3,-0.6 -1,-0.4 2,-0.2 3,-0.1 -0.462 94.8 -75.2-132.8-147.7 66.0 37.7 86.9 47 69 A D S S+ 0 0 17 -2,-0.2 2,-0.3 1,-0.1 41,-0.1 0.904 106.9 9.6 -91.8 -43.8 64.4 39.2 83.8 48 70 A T S S- 0 0 6 40,-0.1 2,-0.3 15,-0.1 -2,-0.2 -0.794 75.3-116.1-118.0 169.4 67.4 39.6 81.5 49 71 A C E - H 0 62B 2 13,-1.8 13,-0.8 -2,-0.3 2,-0.4 -0.759 21.6-152.2 -91.5 158.9 71.0 38.4 81.8 50 72 A V E -GH 42 61B 0 -8,-2.8 -8,-1.7 -2,-0.3 11,-0.2 -0.895 16.7-179.1-132.4 97.7 73.6 41.2 82.0 51 73 A I E - H 0 60B 16 9,-2.0 9,-2.8 -2,-0.4 -10,-0.1 -0.878 22.3-137.4-107.0 106.4 76.9 40.0 80.5 52 74 A P E - H 0 59B 33 0, 0.0 7,-0.3 0, 0.0 2,-0.2 -0.425 24.0-155.9 -59.1 135.2 79.8 42.4 80.6 53 75 A L - 0 0 14 5,-3.0 4,-0.2 2,-0.2 392,-0.0 -0.623 24.4-116.8-106.2 171.8 81.7 42.4 77.3 54 76 A R S S+ 0 0 101 -2,-0.2 2,-0.4 2,-0.1 3,-0.3 0.751 87.8 89.0 -75.1 -27.2 85.3 43.4 76.5 55 77 A H S > S- 0 0 55 1,-0.2 3,-2.7 449,-0.1 -2,-0.2 -0.612 105.5 -31.7 -88.1 127.1 84.3 46.2 74.2 56 78 A G T 3 S- 0 0 75 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.543 105.9 -68.5 54.4 18.7 83.7 49.8 75.3 57 79 A G T 3 S+ 0 0 32 -3,-0.3 -1,-0.3 -4,-0.2 -3,-0.1 0.645 95.5 151.3 73.8 16.4 82.4 49.0 78.8 58 80 A L < - 0 0 5 -3,-2.7 -5,-3.0 101,-0.1 2,-0.4 -0.336 34.1-152.3 -83.4 159.6 79.3 47.5 77.1 59 81 A S E -HI 52 158B 2 99,-2.4 99,-3.3 -7,-0.3 2,-0.7 -0.993 16.4-127.4-131.8 141.0 77.0 44.7 78.4 60 82 A L E -HI 51 157B 0 -9,-2.8 -9,-2.0 -2,-0.4 2,-0.6 -0.781 28.4-172.5 -88.1 112.7 74.9 42.1 76.4 61 83 A V E +HI 50 156B 0 95,-3.3 95,-2.3 -2,-0.7 2,-0.3 -0.916 17.9 153.4-111.9 111.9 71.4 42.3 77.8 62 84 A Q E -HI 49 155B 1 -13,-0.8 -13,-1.8 -2,-0.6 2,-0.3 -0.915 21.1-178.2-143.7 168.8 69.0 39.6 76.5 63 85 A T E - I 0 154B 8 91,-2.0 91,-2.4 -2,-0.3 2,-0.3 -0.981 7.5-159.8-160.9 149.9 65.9 37.6 77.2 64 86 A T E + I 0 153B 4 -2,-0.3 2,-0.3 423,-0.2 89,-0.2 -0.986 16.3 162.5-141.4 150.1 63.8 34.8 75.6 65 87 A D E - I 0 152B 17 87,-1.8 87,-2.2 -2,-0.3 2,-0.3 -0.978 12.5-168.7-158.6 156.6 60.2 33.7 76.2 66 88 A Y E + I 0 151B 9 -2,-0.3 85,-0.3 85,-0.3 2,-0.2 -0.969 7.4 172.5-154.7 149.2 57.4 31.7 74.6 67 89 A I E - I 0 150B 29 83,-2.6 83,-3.0 -2,-0.3 3,-0.1 -0.756 25.7-119.5-138.0 177.4 53.7 31.1 75.1 68 90 A Y - 0 0 11 -2,-0.2 81,-0.2 81,-0.2 -52,-0.1 -0.692 56.3 -56.9-115.5 174.1 50.8 29.4 73.4 69 91 A P + 0 0 0 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.245 54.8 160.0 -55.5 142.7 47.5 31.0 72.2 70 92 A I + 0 0 21 1,-0.3 2,-0.3 -3,-0.1 121,-0.1 0.417 64.3 45.7-142.0 -22.5 45.6 32.8 74.9 71 93 A V S S- 0 0 0 2,-0.1 -1,-0.3 3,-0.0 6,-0.1 -0.879 75.8-131.0-123.6 159.0 43.4 35.1 72.8 72 94 A D S S+ 0 0 56 -2,-0.3 -60,-0.3 -60,-0.1 3,-0.1 0.274 84.0 90.9 -98.1 12.9 41.3 34.1 69.7 73 95 A D > - 0 0 63 1,-0.2 4,-2.4 -62,-0.1 3,-0.2 -0.899 62.7-160.1-106.8 101.9 42.6 37.0 67.6 74 96 A P H > S+ 0 0 18 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.876 89.8 51.2 -50.8 -45.2 45.7 35.8 65.7 75 97 A Y H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 3,-0.1 0.920 113.0 43.7 -59.2 -48.5 47.0 39.3 65.0 76 98 A M H > S+ 0 0 17 -3,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.790 109.5 58.9 -66.6 -29.0 46.7 40.4 68.6 77 99 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.864 107.0 46.0 -69.9 -35.1 48.2 37.1 69.7 78 100 A G H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.858 113.1 51.1 -69.8 -38.9 51.3 37.9 67.6 79 101 A R H X S+ 0 0 40 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.939 113.3 43.9 -60.9 -48.6 51.3 41.4 69.1 80 102 A I H X S+ 0 0 0 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.894 108.9 58.1 -62.8 -41.2 51.0 40.0 72.6 81 103 A A H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.901 113.4 39.6 -55.6 -43.7 53.7 37.4 71.8 82 104 A C H >X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 3,-0.5 0.939 112.1 53.1 -72.8 -49.4 56.1 40.2 70.9 83 105 A A H 3X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 132,-0.3 0.893 107.8 56.8 -52.9 -37.4 55.2 42.6 73.7 84 106 A N H 3X S+ 0 0 6 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.862 106.0 46.2 -62.8 -41.6 55.8 39.6 76.1 85 107 A V H X< S+ 0 0 0 -4,-1.1 3,-0.7 -3,-0.5 4,-0.5 0.896 114.9 47.2 -70.3 -39.8 59.5 39.0 74.9 86 108 A L H >X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 3,-1.1 0.828 91.8 80.7 -70.3 -32.8 60.4 42.8 75.1 87 109 A S H 3X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.794 89.5 55.9 -43.5 -36.9 58.7 43.1 78.6 88 110 A D H S+ 0 0 0 -3,-1.1 5,-2.4 -4,-0.5 3,-0.4 0.887 112.7 51.3 -58.3 -37.0 64.2 44.3 78.4 90 112 A Y H ><5S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.875 99.2 60.2 -74.9 -34.4 61.7 46.8 79.9 91 113 A A H 3<5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.823 106.0 51.3 -56.0 -30.7 61.8 45.3 83.4 92 114 A M T 3<5S- 0 0 0 -4,-0.9 72,-2.7 -3,-0.4 -1,-0.3 0.482 120.9-111.6 -89.6 -3.9 65.5 46.2 83.2 93 115 A G T < 5 + 0 0 0 -3,-1.9 2,-0.9 1,-0.3 -3,-0.2 0.667 69.7 145.6 82.0 16.7 64.7 49.8 82.2 94 116 A V < + 0 0 0 -5,-2.4 -1,-0.3 1,-0.2 -2,-0.1 -0.786 23.7 178.8 -90.0 103.2 66.2 49.1 78.7 95 117 A T + 0 0 43 -2,-0.9 2,-0.4 67,-0.3 -1,-0.2 0.777 60.4 71.6 -77.6 -24.7 64.0 51.1 76.3 96 118 A E - 0 0 79 66,-0.1 2,-0.5 -7,-0.1 38,-0.1 -0.763 59.9-163.4 -99.4 138.2 66.0 50.1 73.2 97 119 A C - 0 0 7 36,-0.6 59,-0.2 -2,-0.4 3,-0.1 -0.976 2.3-168.7-113.8 120.0 66.0 46.7 71.5 98 120 A D S S- 0 0 52 57,-1.7 2,-0.3 -2,-0.5 58,-0.2 0.865 70.2 -8.0 -75.8 -36.4 68.9 46.0 69.1 99 121 A N E -J 155 0B 2 56,-1.9 56,-2.1 36,-0.1 2,-0.4 -0.989 55.3-153.2-158.5 148.3 67.5 42.8 67.6 100 122 A M E -Jk 154 137B 0 36,-1.7 38,-1.8 -2,-0.3 39,-0.4 -0.962 2.8-163.5-118.6 147.7 64.7 40.3 67.9 101 123 A L E -J 153 0B 1 52,-1.6 52,-2.9 -2,-0.4 2,-0.4 -0.919 21.0-135.6-113.5 150.1 64.5 36.6 66.9 102 124 A M E -Jk 152 140B 5 37,-2.1 39,-1.9 -2,-0.3 2,-0.5 -0.906 7.5-155.0-109.0 137.7 61.1 34.9 66.6 103 125 A L E +Jk 151 141B 2 48,-2.7 48,-2.6 -2,-0.4 2,-0.4 -0.938 20.6 175.5-107.0 127.9 60.1 31.5 67.9 104 126 A L E -Jk 150 142B 4 37,-2.2 39,-1.7 -2,-0.5 2,-0.4 -0.996 18.3-170.1-134.4 136.0 57.2 29.8 66.1 105 127 A G E -Jk 149 143B 0 44,-2.1 44,-1.7 -2,-0.4 2,-0.7 -0.989 14.6-152.4-122.8 118.3 55.6 26.4 66.5 106 128 A V E - 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