==== 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 3FD6 . COMPND 2 MOLECULE: SELENIDE, WATER DIKINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.T.WANG . 695 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26004.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 474 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 14.1 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 . 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 . 39 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 0 1 3 1 3 2 1 2 0 1 1 1 1 0 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 0 2 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 7 A F 0 0 85 0, 0.0 3,-0.1 0, 0.0 73,-0.0 0.000 360.0 360.0 360.0 106.1 39.5 39.2 63.7 2 8 A N > - 0 0 88 1,-0.2 3,-1.4 73,-0.0 4,-0.3 -0.944 360.0-153.7 -99.3 114.1 36.5 37.6 62.1 3 9 A P G > >S+ 0 0 27 0, 0.0 3,-3.8 0, 0.0 5,-1.1 0.958 95.9 52.7 -50.2 -61.4 37.5 34.0 61.2 4 10 A E G > 5S+ 0 0 129 1,-0.3 3,-1.0 3,-0.2 6,-0.1 0.654 95.9 73.5 -52.9 -14.1 35.0 33.7 58.4 5 11 A S G < 5S+ 0 0 76 -3,-1.4 -1,-0.3 1,-0.2 0, 0.0 0.642 98.0 47.7 -71.4 -14.3 36.6 37.0 57.2 6 12 A Y G < 5S- 0 0 91 -3,-3.8 -1,-0.2 -4,-0.3 -2,-0.2 -0.189 121.8-100.3-120.5 38.7 39.6 34.9 56.2 7 13 A E T < 5S+ 0 0 78 -3,-1.0 2,-0.2 1,-0.2 -3,-0.2 0.676 87.3 130.1 51.9 14.9 38.0 32.0 54.3 8 14 A L < - 0 0 8 -5,-1.1 -1,-0.2 1,-0.2 -2,-0.1 -0.609 64.2 -97.3 -91.0 161.0 38.5 30.1 57.5 9 15 A D - 0 0 85 -2,-0.2 3,-0.2 -3,-0.1 -1,-0.2 -0.054 26.7-114.0 -68.8 177.5 35.7 28.2 59.2 10 16 A K S S+ 0 0 54 1,-0.2 -1,-0.1 -7,-0.1 -6,-0.1 0.813 110.6 55.8 -81.1 -35.1 33.5 29.4 62.0 11 17 A S S S+ 0 0 90 -8,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.505 77.9 118.0 -83.3 -3.6 34.7 26.9 64.6 12 18 A F + 0 0 3 -3,-0.2 2,-0.3 3,-0.0 -8,-0.1 -0.396 35.9 175.5 -65.1 137.1 38.4 27.8 64.3 13 19 A R > - 0 0 124 1,-0.1 3,-3.0 -2,-0.1 4,-0.3 -0.941 31.6-144.6-142.1 121.7 40.0 29.2 67.5 14 20 A L G > S+ 0 0 0 -2,-0.3 3,-1.5 60,-0.3 136,-0.2 0.839 103.2 64.9 -52.7 -31.3 43.7 29.9 67.7 15 21 A T G 3 S+ 0 0 14 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.478 79.8 81.1 -74.2 -3.2 43.5 28.8 71.3 16 22 A R G < S+ 0 0 116 -3,-3.0 2,-0.7 1,-0.2 -1,-0.3 0.757 79.9 70.9 -66.2 -23.6 42.6 25.3 70.0 17 23 A F S < S+ 0 0 6 -3,-1.5 133,-2.1 -4,-0.3 2,-0.3 -0.305 104.9 22.2-101.2 51.2 46.3 24.7 69.5 18 24 A T S S- 0 0 16 -2,-0.7 2,-0.3 -3,-0.4 133,-0.0 -0.915 85.9 -94.3 177.8-177.7 47.5 24.4 73.1 19 25 A E - 0 0 129 -2,-0.3 2,-0.5 2,-0.0 51,-0.1 -0.912 27.0-126.4-116.9 151.2 45.9 23.7 76.5 20 26 A L + 0 0 58 -2,-0.3 2,-0.4 170,-0.0 3,-0.0 -0.840 27.5 179.7 -94.6 125.7 44.5 26.0 79.1 21 27 A K > - 0 0 63 -2,-0.5 3,-1.2 1,-0.1 4,-0.1 -0.995 29.4-142.5-124.6 133.3 45.9 25.8 82.7 22 28 A G T 3 S+ 0 0 13 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.804 107.2 42.2 -56.3 -29.1 44.8 27.9 85.6 23 29 A T T 3 S- 0 0 101 1,-0.3 -1,-0.3 264,-0.1 3,-0.2 0.362 115.7-116.4-107.0 5.2 48.4 28.0 86.9 24 30 A G < - 0 0 15 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.1 -0.179 21.8 -83.8 92.6 177.7 50.1 28.4 83.5 25 31 A C S S+ 0 0 26 -3,-0.1 469,-2.9 -4,-0.1 -1,-0.1 0.555 85.3 105.8-102.1 -13.0 52.5 26.5 81.3 26 32 A K B S-A 493 0A 61 467,-0.2 467,-0.2 -3,-0.2 3,-0.1 -0.319 80.7-102.2 -69.3 150.8 55.8 27.3 82.8 27 33 A V - 0 0 3 465,-1.2 465,-0.1 1,-0.1 -1,-0.1 -0.545 57.5 -91.0 -63.7 136.9 57.8 24.9 85.0 28 34 A P > - 0 0 60 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.125 31.1-114.0 -60.4 155.0 57.3 25.9 88.6 29 35 A Q H > S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.813 112.0 46.3 -59.4 -42.0 59.7 28.4 90.3 30 36 A D H > S+ 0 0 118 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.880 112.2 51.2 -73.1 -37.9 61.1 26.0 92.9 31 37 A V H > S+ 0 0 17 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.933 110.1 48.6 -64.2 -47.6 61.7 23.2 90.4 32 38 A L H X S+ 0 0 37 -4,-2.3 4,-3.7 2,-0.2 -2,-0.2 0.939 108.4 52.9 -58.6 -48.3 63.6 25.4 87.9 33 39 A Q H < S+ 0 0 119 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.895 113.3 47.3 -55.2 -36.1 65.8 26.9 90.6 34 40 A K H >< S+ 0 0 116 -4,-1.5 3,-0.6 1,-0.2 -2,-0.2 0.994 114.8 41.9 -65.9 -62.9 66.6 23.2 91.4 35 41 A L H >< S+ 0 0 10 -4,-3.1 2,-1.5 1,-0.3 3,-0.8 0.866 107.1 64.3 -54.3 -39.5 67.2 22.0 87.8 36 42 A L T 3< S+ 0 0 39 -4,-3.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.192 76.5 103.5 -76.9 44.9 69.2 25.2 87.2 37 43 A E T < + 0 0 126 -2,-1.5 -1,-0.2 -3,-0.6 -2,-0.1 0.827 66.4 58.4 -96.4 -42.1 71.7 24.1 89.8 38 44 A S < 0 0 31 -3,-0.8 -2,-0.1 -4,-0.2 -1,-0.1 0.768 360.0 360.0 -58.6 -25.9 74.6 22.8 87.6 39 45 A L 0 0 64 -4,-0.2 449,-0.1 447,-0.0 435,-0.0 -0.599 360.0 360.0 -79.6 360.0 74.7 26.3 86.1 40 ! 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 41 61 A M 0 0 143 0, 0.0 19,-0.0 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 122.6 81.8 46.6 85.7 42 62 A P - 0 0 59 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.310 360.0-170.6 -63.6 148.8 78.5 45.1 87.0 43 63 A R - 0 0 205 10,-0.1 2,-0.4 18,-0.0 10,-0.2 -0.992 8.3-163.2-144.1 148.3 77.6 41.6 85.8 44 64 A L B -G 52 0B 11 8,-1.9 8,-1.7 -2,-0.3 3,-0.1 -0.987 6.6-172.9-138.5 117.2 74.4 39.5 86.3 45 65 A G > - 0 0 39 -2,-0.4 3,-0.8 1,-0.3 5,-0.1 0.001 50.5 -35.2 -88.8-160.0 74.0 35.8 85.8 46 66 A I T 3 S+ 0 0 68 441,-0.2 -1,-0.3 1,-0.2 443,-0.1 -0.192 107.1 64.7 -55.0 151.1 70.9 33.6 85.8 47 67 A G T 3 S+ 0 0 36 1,-0.5 -1,-0.2 -3,-0.1 2,-0.1 -0.080 89.7 59.6 129.0 -34.2 68.1 34.5 88.3 48 68 A M S < S- 0 0 27 -3,-0.8 -1,-0.5 2,-0.3 186,-0.1 -0.139 96.8 -76.2-111.5-155.0 66.8 37.9 87.1 49 69 A D S S+ 0 0 12 41,-0.1 2,-0.3 -3,-0.1 45,-0.1 0.707 105.4 3.4 -91.3 -25.1 65.2 39.5 84.0 50 70 A T S S- 0 0 7 -5,-0.1 2,-0.3 15,-0.1 -2,-0.3 -0.947 72.9-115.2-142.8 169.0 68.2 39.8 81.8 51 71 A C E - H 0 64B 2 13,-1.8 13,-0.7 -2,-0.3 2,-0.4 -0.694 19.2-155.0 -92.1 157.6 71.9 38.9 81.9 52 72 A V E -GH 44 63B 0 -8,-1.7 -8,-1.9 -2,-0.3 11,-0.2 -0.920 15.2-179.3-133.9 109.0 74.6 41.6 81.9 53 73 A I E - H 0 62B 30 9,-2.3 9,-2.4 -2,-0.4 -10,-0.1 -0.909 23.7-133.0-116.7 105.2 77.9 40.3 80.6 54 74 A P E - H 0 61B 32 0, 0.0 7,-0.3 0, 0.0 2,-0.2 -0.232 27.1-139.7 -57.7 142.4 80.8 42.7 80.5 55 75 A L - 0 0 15 5,-3.3 4,-0.2 2,-0.2 6,-0.0 -0.490 18.4-125.3-100.2 171.3 82.6 42.8 77.2 56 76 A R S S+ 0 0 113 -2,-0.2 2,-0.4 451,-0.1 3,-0.3 0.853 92.6 75.5 -74.7 -38.6 86.2 42.9 76.0 57 77 A H S > S- 0 0 26 1,-0.2 3,-1.9 450,-0.2 -2,-0.2 -0.622 111.9 -23.0 -88.6 129.0 85.4 45.9 73.8 58 78 A G T 3 S- 0 0 61 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.448 101.4 -77.2 68.4 7.9 84.8 49.5 75.1 59 79 A G T 3 S+ 0 0 31 -3,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.831 93.1 150.9 61.9 29.4 83.8 48.7 78.7 60 80 A L < - 0 0 4 -3,-1.9 -5,-3.3 101,-0.1 2,-0.4 -0.604 37.9-144.7 -90.8 155.8 80.5 47.8 77.0 61 81 A S E -HI 54 160B 2 99,-2.1 99,-2.9 -7,-0.3 2,-0.6 -0.981 8.7-134.5-124.8 133.7 78.1 45.2 78.4 62 82 A L E -HI 53 159B 0 -9,-2.4 -9,-2.3 -2,-0.4 2,-0.5 -0.792 22.9-170.5 -87.0 121.7 75.9 42.8 76.4 63 83 A V E +HI 52 158B 0 95,-3.1 95,-2.7 -2,-0.6 2,-0.3 -0.963 18.1 153.8-114.5 118.8 72.3 42.7 77.8 64 84 A Q E +HI 51 157B 1 -13,-0.7 -13,-1.8 -2,-0.5 2,-0.3 -0.946 18.2 179.0-146.3 171.1 70.0 40.0 76.5 65 85 A T E - I 0 156B 12 91,-1.4 91,-2.0 -2,-0.3 2,-0.3 -0.980 12.0-148.2-167.3 149.7 66.9 37.8 77.2 66 86 A T E + I 0 155B 4 -2,-0.3 2,-0.3 424,-0.3 89,-0.2 -0.951 14.8 176.7-133.5 154.4 64.7 35.1 75.7 67 87 A D E - I 0 154B 11 87,-2.0 87,-2.4 -2,-0.3 2,-0.3 -0.989 7.6-179.5-150.3 150.7 61.0 34.2 75.9 68 88 A Y E + I 0 153B 13 -2,-0.3 85,-0.3 85,-0.2 2,-0.2 -0.938 10.0 157.9-154.2 151.0 58.3 31.8 74.5 69 89 A I E - I 0 152B 25 83,-2.9 83,-2.7 -2,-0.3 -2,-0.0 -0.790 30.7-112.8-146.2-179.1 54.6 31.2 75.1 70 90 A Y - 0 0 11 -2,-0.2 81,-0.2 81,-0.2 -52,-0.1 -0.725 52.8 -64.8-117.9 169.6 51.5 29.7 73.4 71 91 A P + 0 0 4 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.385 50.3 163.0 -57.8 130.1 48.3 31.3 72.1 72 92 A I + 0 0 24 1,-0.2 2,-0.3 -2,-0.1 121,-0.1 0.518 65.2 43.2-121.4 -20.6 46.2 32.9 74.8 73 93 A V S S- 0 0 0 2,-0.1 -1,-0.2 119,-0.0 6,-0.1 -0.885 77.8-128.5-120.3 160.7 43.8 35.1 72.7 74 94 A D S S+ 0 0 23 -2,-0.3 -60,-0.3 -60,-0.1 -58,-0.0 0.238 82.5 92.5 -95.6 15.9 42.1 34.2 69.4 75 95 A D > - 0 0 32 1,-0.2 4,-2.2 -62,-0.1 3,-0.4 -0.840 60.7-160.7-114.9 94.3 43.2 37.2 67.4 76 96 A P H > S+ 0 0 0 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.766 86.6 52.5 -50.8 -39.6 46.4 36.2 65.5 77 97 A Y H >> S+ 0 0 59 1,-0.2 4,-1.5 2,-0.2 3,-0.7 0.976 113.0 42.9 -60.4 -54.8 47.7 39.7 64.8 78 98 A M H 3> S+ 0 0 31 -3,-0.4 4,-3.1 1,-0.2 5,-0.2 0.889 107.8 61.2 -58.3 -39.5 47.4 40.9 68.4 79 99 A M H 3X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.817 105.3 47.1 -60.2 -33.4 48.9 37.6 69.8 80 100 A G H X S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.2 4,-0.5 0.961 113.2 46.6 -55.2 -53.2 60.2 39.3 74.9 88 108 A L H 3X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.3 3,-0.3 0.674 94.1 78.4 -70.4 -20.5 61.1 43.0 75.2 89 109 A S H 3X S+ 0 0 0 -4,-1.4 4,-1.9 -3,-0.3 -1,-0.3 0.846 87.7 57.6 -53.3 -42.7 59.6 43.4 78.7 90 110 A D H << S+ 0 0 18 -3,-1.1 4,-0.4 -4,-0.7 -1,-0.2 0.883 105.4 50.4 -61.3 -40.9 62.7 41.8 80.3 91 111 A L H ><>S+ 0 0 0 -4,-0.5 5,-1.6 -3,-0.3 3,-1.2 0.902 108.4 53.1 -55.6 -44.9 64.9 44.5 78.7 92 112 A Y H ><5S+ 0 0 0 -4,-1.6 3,-1.1 1,-0.3 -2,-0.2 0.825 96.9 63.5 -71.5 -30.8 62.6 47.2 80.1 93 113 A A T 3<5S+ 0 0 2 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.724 105.1 49.3 -62.0 -18.9 62.7 45.9 83.7 94 114 A M T < 5S- 0 0 1 -3,-1.2 72,-2.4 -4,-0.4 -1,-0.3 0.577 121.2-115.8 -91.6 -13.2 66.4 46.7 83.4 95 115 A G T < 5 + 0 0 0 -3,-1.1 2,-0.7 -4,-0.4 -3,-0.2 0.423 64.3 147.1 96.4 1.1 65.5 50.2 82.1 96 116 A V < - 0 0 2 -5,-1.6 -1,-0.3 1,-0.2 -2,-0.1 -0.617 24.3-175.9 -79.0 111.1 67.0 49.7 78.6 97 117 A T + 0 0 38 -2,-0.7 2,-0.4 67,-0.2 -1,-0.2 0.653 62.0 67.3 -82.9 -16.9 64.8 51.7 76.2 98 118 A E - 0 0 83 66,-0.1 2,-0.5 -7,-0.1 38,-0.1 -0.879 62.4-158.0-113.1 138.1 66.6 50.6 73.1 99 119 A C - 0 0 8 36,-0.7 59,-0.2 -2,-0.4 39,-0.1 -0.960 3.5-168.9-110.9 117.4 66.9 47.2 71.4 100 120 A D S S- 0 0 57 57,-0.8 2,-0.3 -2,-0.5 58,-0.2 0.843 71.3 -2.8 -70.8 -33.9 69.8 46.6 69.1 101 121 A N E -J 157 0B 2 56,-1.8 56,-2.6 36,-0.1 2,-0.3 -0.982 53.7-157.8-162.6 149.3 68.4 43.3 67.7 102 122 A M E -Jk 156 139B 0 36,-1.7 38,-2.2 -2,-0.3 39,-0.4 -0.952 2.6-164.5-126.8 144.3 65.6 40.7 67.8 103 123 A L E -J 155 0B 2 52,-1.8 52,-2.5 -2,-0.3 2,-0.5 -0.964 21.0-136.6-119.7 145.5 65.4 37.0 66.8 104 124 A M E -Jk 154 142B 8 37,-2.4 39,-1.7 -2,-0.4 2,-0.5 -0.901 8.6-157.2-112.9 128.5 61.9 35.3 66.4 105 125 A L E +Jk 153 143B 4 48,-1.7 48,-1.7 -2,-0.5 2,-0.4 -0.849 17.4 176.6 -96.8 129.2 60.9 31.8 67.6 106 126 A L E -Jk 152 144B 7 37,-2.6 39,-1.5 -2,-0.5 2,-0.4 -0.981 16.2-168.3-129.7 148.0 57.9 30.1 65.9 107 127 A G E -Jk 151 145B 2 44,-2.2 44,-1.7 -2,-0.4 2,-0.5 -0.969 13.3-152.8-130.9 115.3 56.3 26.7 66.4 108 128 A V E - 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