==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-AUG-04 1WOT . COMPND 2 MOLECULE: PUTATIVE MINIMAL NUCLEOTIDYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR S.SUZUKI,H.HATANAKA,T.HONDOH,A.OKUMURA,Y.KURODA,S.KURAMITSU, . 98 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 6.1 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 . 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 . 10 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 1 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 0 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 -2 A G 0 0 118 0, 0.0 71,-0.1 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0-156.8 18.4 4.4 -4.0 2 -1 A S + 0 0 111 70,-0.2 3,-0.1 1,-0.1 71,-0.0 0.328 360.0 79.9 68.8 154.5 16.6 7.4 -5.5 3 0 A H - 0 0 149 1,-0.2 -1,-0.1 38,-0.0 38,-0.0 0.508 64.5-175.4 90.2 7.6 15.2 7.5 -9.0 4 1 A M - 0 0 68 67,-0.1 2,-0.3 4,-0.1 -1,-0.2 -0.079 4.2-174.9 -40.0 124.3 12.2 5.6 -7.9 5 2 A D > - 0 0 68 1,-0.1 4,-2.6 -3,-0.1 3,-0.4 -0.928 37.5-122.2-128.7 152.6 10.0 4.9 -10.9 6 3 A L H > S+ 0 0 50 -2,-0.3 4,-1.9 1,-0.3 5,-0.2 0.916 115.5 56.6 -56.2 -46.2 6.6 3.3 -11.4 7 4 A E H 4 S+ 0 0 158 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.853 112.6 41.9 -53.6 -37.6 8.1 0.8 -13.6 8 5 A T H >> S+ 0 0 59 -3,-0.4 4,-1.3 1,-0.2 3,-1.2 0.816 103.9 66.0 -78.7 -33.4 10.5 -0.1 -10.8 9 6 A L H 3X S+ 0 0 13 -4,-2.6 4,-4.0 1,-0.3 5,-0.2 0.875 94.6 59.8 -54.7 -39.8 7.7 0.1 -8.2 10 7 A R H 3X S+ 0 0 93 -4,-1.9 4,-1.8 1,-0.2 -1,-0.3 0.817 98.3 60.2 -58.1 -31.9 6.2 -2.9 -9.9 11 8 A A H <> S+ 0 0 66 -3,-1.2 4,-1.2 -4,-0.4 -1,-0.2 0.954 116.5 29.6 -60.6 -52.6 9.4 -4.8 -9.1 12 9 A R H X S+ 0 0 47 -4,-1.3 4,-5.1 1,-0.2 5,-0.3 0.824 113.4 65.3 -76.0 -33.7 8.9 -4.3 -5.4 13 10 A R H X S+ 0 0 6 -4,-4.0 4,-1.6 -5,-0.2 -1,-0.2 0.830 102.5 50.1 -56.8 -33.7 5.1 -4.2 -5.8 14 11 A E H X S+ 0 0 149 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.929 118.5 35.7 -70.5 -47.7 5.4 -7.9 -6.9 15 12 A A H X S+ 0 0 44 -4,-1.2 4,-2.9 2,-0.2 5,-0.3 0.879 115.7 55.8 -72.5 -39.9 7.5 -8.9 -3.9 16 13 A V H X S+ 0 0 0 -4,-5.1 4,-3.4 1,-0.2 -2,-0.2 0.865 107.1 51.1 -59.5 -37.4 5.7 -6.5 -1.6 17 14 A L H X S+ 0 0 42 -4,-1.6 4,-2.4 -5,-0.3 -1,-0.2 0.900 109.9 49.2 -66.2 -42.2 2.5 -8.3 -2.6 18 15 A S H X S+ 0 0 74 -4,-1.5 4,-1.0 2,-0.2 -2,-0.2 0.908 119.4 37.6 -63.0 -43.9 4.0 -11.6 -1.8 19 16 A L H X S+ 0 0 24 -4,-2.9 4,-3.4 2,-0.2 5,-0.2 0.841 112.2 59.2 -75.4 -35.5 5.2 -10.4 1.5 20 17 A C H X>S+ 0 0 1 -4,-3.4 4,-2.5 -5,-0.3 5,-1.6 0.893 105.6 49.5 -59.1 -40.9 2.1 -8.4 2.0 21 18 A A H <5S+ 0 0 69 -4,-2.4 -1,-0.3 3,-0.2 -2,-0.2 0.839 113.1 47.4 -66.3 -34.0 0.1 -11.6 1.7 22 19 A R H <5S+ 0 0 200 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.883 112.7 47.4 -73.5 -40.9 2.4 -13.2 4.2 23 20 A H H <5S- 0 0 41 -4,-3.4 -2,-0.2 2,-0.1 -1,-0.2 0.858 131.9 -90.6 -67.7 -36.6 2.1 -10.2 6.6 24 21 A G T <5S+ 0 0 6 -4,-2.5 2,-0.5 -5,-0.2 28,-0.3 0.655 75.9 140.2 123.2 57.0 -1.6 -10.3 6.2 25 22 A A < + 0 0 3 -5,-1.6 3,-0.2 -8,-0.2 26,-0.2 -0.936 7.4 156.0-131.3 108.1 -2.7 -8.1 3.3 26 23 A V S S+ 0 0 70 24,-2.0 2,-3.0 -2,-0.5 -1,-0.1 0.883 71.3 61.6 -93.2 -53.4 -5.4 -9.3 1.0 27 24 A R S S+ 0 0 86 23,-0.5 2,-1.4 1,-0.1 -1,-0.2 -0.359 70.7 168.3 -74.4 62.4 -6.7 -6.0 -0.3 28 25 A V + 0 0 12 -2,-3.0 70,-0.6 -3,-0.2 2,-0.3 -0.670 21.0 132.3 -82.6 93.6 -3.3 -5.2 -1.9 29 26 A R E -AB 48 97A 61 -2,-1.4 19,-1.2 19,-1.2 2,-0.5 -0.969 55.0-119.7-142.9 156.1 -4.2 -2.3 -4.1 30 27 A V E -AB 47 96A 5 66,-1.6 66,-0.7 -2,-0.3 2,-0.4 -0.869 30.4-176.1-101.5 125.3 -2.8 1.2 -4.9 31 28 A F + 0 0 29 15,-0.9 2,-0.3 -2,-0.5 3,-0.2 -0.977 42.8 27.8-125.2 134.5 -5.0 4.1 -4.2 32 29 A G S > S- 0 0 15 -2,-0.4 4,-0.9 1,-0.2 5,-0.1 -0.852 110.7 -37.4 123.0-158.6 -4.4 7.8 -4.9 33 30 A S H >>S+ 0 0 62 -2,-0.3 5,-2.5 2,-0.2 4,-0.5 0.796 130.6 64.1 -73.3 -30.0 -2.3 9.6 -7.5 34 31 A V H >45S+ 0 0 17 3,-0.3 3,-1.6 1,-0.2 -1,-0.2 0.935 101.5 48.6 -57.9 -49.4 0.4 7.0 -7.2 35 32 A A H 345S+ 0 0 19 1,-0.3 -1,-0.2 11,-0.2 -2,-0.2 0.823 110.8 52.1 -60.0 -31.9 -2.0 4.4 -8.6 36 33 A R H 3<5S- 0 0 208 -4,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.555 130.3-100.5 -80.3 -9.2 -2.7 6.9 -11.3 37 34 A G T <<5S+ 0 0 31 -3,-1.6 2,-0.4 -4,-0.5 -3,-0.3 0.828 82.7 126.6 91.4 39.7 1.0 7.2 -11.9 38 35 A E < + 0 0 131 -5,-2.5 -1,-0.3 2,-0.0 -2,-0.2 -0.993 16.9 113.9-134.0 126.4 1.6 10.4 -10.0 39 36 A A - 0 0 52 -2,-0.4 -33,-0.1 -3,-0.1 6,-0.0 -0.479 39.2-150.6 169.8 114.6 4.1 10.9 -7.3 40 37 A R > - 0 0 181 -2,-0.1 3,-1.3 1,-0.1 -2,-0.0 -0.109 42.3 -91.9 -82.9-175.1 7.2 13.1 -7.2 41 38 A E T 3 S+ 0 0 195 1,-0.3 -1,-0.1 -2,-0.0 -37,-0.0 0.458 130.8 48.0 -78.0 -1.2 10.4 12.6 -5.2 42 39 A D T 3 S+ 0 0 136 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.156 96.9 96.0-121.2 12.8 8.8 14.6 -2.4 43 40 A S < - 0 0 41 -3,-1.3 2,-0.2 1,-0.0 -4,-0.1 -0.584 68.5-123.5-101.9 165.9 5.5 12.8 -2.5 44 41 A D - 0 0 88 -2,-0.2 2,-0.6 31,-0.0 -10,-0.1 -0.594 18.9-117.0-104.8 167.9 4.3 9.9 -0.3 45 42 A L - 0 0 14 -2,-0.2 31,-2.0 29,-0.2 2,-0.6 -0.923 23.3-157.7-111.1 110.2 3.0 6.5 -1.3 46 43 A D E + c 0 76A 35 -2,-0.6 -15,-0.9 -15,-0.1 2,-0.4 -0.783 16.7 175.2 -90.5 119.2 -0.6 5.9 -0.4 47 44 A L E -Ac 30 77A 3 29,-1.8 31,-2.6 -2,-0.6 2,-0.7 -0.992 18.0-156.1-129.3 125.8 -1.4 2.2 -0.1 48 45 A L E +Ac 29 78A 0 -19,-1.2 -19,-1.2 -2,-0.4 2,-0.3 -0.896 23.7 167.3-104.8 112.5 -4.7 0.8 1.1 49 46 A V E - c 0 79A 2 29,-3.3 31,-1.6 -2,-0.7 2,-0.5 -0.882 27.3-139.6-123.7 155.3 -4.5 -2.7 2.5 50 47 A A - 0 0 12 -2,-0.3 -24,-2.0 29,-0.2 -23,-0.5 -0.970 12.8-149.9-119.8 120.5 -6.9 -4.9 4.5 51 48 A F - 0 0 23 -2,-0.5 -26,-0.2 -26,-0.2 3,-0.1 -0.782 12.8-146.2 -92.6 125.8 -5.6 -7.0 7.3 52 49 A E - 0 0 129 -2,-0.5 3,-0.4 -28,-0.3 2,-0.3 0.334 44.4 -53.0 -66.8-155.7 -7.5 -10.2 8.0 53 50 A E S S+ 0 0 163 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 -0.649 121.6 27.1 -89.5 144.6 -8.0 -11.7 11.5 54 51 A G S S+ 0 0 55 1,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.065 89.9 122.3 95.0 -23.0 -5.1 -12.3 13.8 55 52 A R - 0 0 112 -3,-0.4 -1,-0.3 -31,-0.1 2,-0.2 -0.587 41.7-173.5 -76.8 130.5 -3.1 -9.6 12.1 56 53 A T >> - 0 0 85 -2,-0.3 3,-1.6 -3,-0.1 4,-1.4 -0.663 44.8 -92.8-118.0 174.1 -2.0 -6.9 14.5 57 54 A L H 3> S+ 0 0 127 1,-0.3 4,-3.4 -2,-0.2 5,-0.3 0.786 120.7 72.2 -55.6 -27.8 -0.2 -3.5 14.2 58 55 A L H 3> S+ 0 0 103 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.894 100.3 43.2 -54.2 -43.0 2.9 -5.5 14.7 59 56 A D H <> S+ 0 0 33 -3,-1.6 4,-2.8 2,-0.2 -1,-0.3 0.855 111.7 55.4 -70.8 -36.3 2.5 -6.9 11.2 60 57 A H H X S+ 0 0 26 -4,-1.4 4,-4.1 2,-0.2 5,-0.2 0.950 110.4 43.5 -60.4 -52.0 1.6 -3.4 10.0 61 58 A A H X S+ 0 0 45 -4,-3.4 4,-3.0 1,-0.2 5,-0.2 0.891 114.9 50.9 -60.2 -41.2 4.8 -1.9 11.3 62 59 A R H X S+ 0 0 126 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.871 115.8 41.5 -63.8 -38.6 6.7 -4.9 9.9 63 60 A L H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 -2,-0.2 0.895 115.2 49.9 -74.9 -42.7 5.0 -4.5 6.6 64 61 A K H X S+ 0 0 96 -4,-4.1 4,-2.1 2,-0.2 -2,-0.2 0.889 117.0 41.7 -62.0 -40.7 5.4 -0.7 6.7 65 62 A L H X S+ 0 0 85 -4,-3.0 4,-1.8 -5,-0.2 -1,-0.2 0.859 115.5 50.1 -73.7 -37.4 9.0 -1.2 7.5 66 63 A A H X S+ 0 0 20 -4,-2.0 4,-3.1 -5,-0.2 5,-0.2 0.857 111.3 49.7 -68.0 -36.3 9.4 -4.0 5.0 67 64 A L H X S+ 0 0 1 -4,-3.2 4,-3.4 2,-0.2 6,-0.4 0.923 111.4 47.4 -67.5 -46.1 7.8 -1.8 2.4 68 65 A E H < S+ 0 0 61 -4,-2.1 4,-0.3 2,-0.2 5,-0.2 0.818 115.3 48.1 -64.0 -31.9 10.1 1.1 3.2 69 66 A G H < S+ 0 0 56 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.940 116.2 40.0 -73.4 -50.6 13.0 -1.3 3.1 70 67 A L H < S+ 0 0 76 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.916 127.2 35.8 -64.3 -44.9 12.1 -3.0 -0.2 71 68 A L S < S- 0 0 1 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.599 96.8-147.8 -82.5 -13.2 11.0 0.3 -1.7 72 69 A G + 0 0 57 -5,-0.3 2,-0.3 -4,-0.3 -3,-0.2 0.704 69.5 91.0 52.0 20.1 13.9 1.9 0.2 73 70 A V S S- 0 0 40 -6,-0.4 -2,-0.2 -5,-0.2 -1,-0.2 -0.978 94.6 -73.4-143.3 153.0 11.6 4.9 0.4 74 71 A R - 0 0 210 -2,-0.3 2,-0.4 -3,-0.1 -29,-0.2 -0.137 50.4-167.7 -46.0 133.2 8.9 6.2 2.7 75 72 A V - 0 0 7 -11,-0.2 2,-0.6 -31,-0.1 -7,-0.2 -0.993 11.1-155.9-134.0 125.7 5.8 4.1 2.4 76 73 A D E -c 46 0A 64 -31,-2.0 -29,-1.8 -2,-0.4 2,-0.4 -0.900 13.4-168.6-104.8 118.2 2.4 5.0 3.9 77 74 A I E -c 47 0A 31 -2,-0.6 2,-0.4 -31,-0.2 -29,-0.2 -0.837 0.5-166.0-107.5 144.1 0.1 2.1 4.5 78 75 A V E -c 48 0A 36 -31,-2.6 -29,-3.3 -2,-0.4 2,-0.5 -0.963 14.4-135.3-130.3 146.5 -3.6 2.3 5.4 79 76 A S E > -c 49 0A 36 -2,-0.4 4,-2.4 -31,-0.2 -29,-0.2 -0.890 12.9-138.2-105.4 127.7 -6.0 -0.2 6.8 80 77 A E T 4 S+ 0 0 31 -31,-1.6 -1,-0.1 -2,-0.5 -30,-0.1 0.838 105.0 55.7 -47.5 -37.5 -9.5 -0.5 5.3 81 78 A R T 4 S+ 0 0 201 1,-0.2 -1,-0.2 -30,-0.1 7,-0.1 0.996 108.9 40.2 -58.9 -73.6 -10.7 -0.7 8.8 82 79 A G T 4 S+ 0 0 69 2,-0.0 -1,-0.2 0, 0.0 -2,-0.2 0.764 105.9 92.7 -47.3 -27.9 -9.3 2.5 10.3 83 80 A L S < S- 0 0 32 -4,-2.4 -3,-0.1 1,-0.1 3,-0.0 0.175 84.3-102.1 -55.4-175.7 -10.3 4.0 7.0 84 81 A A > - 0 0 31 1,-0.1 4,-2.7 0, 0.0 5,-0.2 -0.658 14.0-122.1-111.3 168.4 -13.7 5.6 6.5 85 82 A P H > S+ 0 0 97 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.902 116.0 36.9 -75.0 -44.3 -16.9 4.5 4.9 86 83 A R H > S+ 0 0 198 2,-0.2 4,-0.8 1,-0.1 -3,-0.0 0.738 124.2 44.5 -78.4 -24.8 -17.1 7.4 2.4 87 84 A L H > S+ 0 0 88 2,-0.2 4,-3.7 3,-0.1 5,-0.2 0.906 110.6 52.0 -83.4 -48.3 -13.3 7.3 2.0 88 85 A R H X S+ 0 0 115 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.927 109.5 50.3 -52.8 -50.8 -13.0 3.5 1.7 89 86 A E H X S+ 0 0 113 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.889 116.0 42.5 -55.1 -42.6 -15.6 3.4 -1.0 90 87 A Q H X S+ 0 0 121 -4,-0.8 4,-0.7 2,-0.2 -1,-0.2 0.853 111.5 55.2 -72.3 -36.6 -13.7 6.2 -2.8 91 88 A V H >X S+ 0 0 10 -4,-3.7 4,-4.1 1,-0.2 3,-1.2 0.910 104.9 53.4 -61.9 -44.0 -10.4 4.5 -2.1 92 89 A L H 3< S+ 0 0 39 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.921 100.9 59.3 -56.2 -47.3 -11.6 1.3 -3.7 93 90 A R H 3< S+ 0 0 204 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.742 118.0 33.8 -53.7 -23.5 -12.5 3.3 -6.8 94 91 A E H << S+ 0 0 83 -3,-1.2 -2,-0.3 -4,-0.7 -1,-0.2 0.784 93.1 104.9 -99.6 -39.1 -8.8 4.2 -6.8 95 92 A A < - 0 0 11 -4,-4.1 -64,-0.2 -66,-0.1 -67,-0.1 -0.185 55.0-164.4 -47.1 127.8 -7.4 0.9 -5.4 96 93 A I E -B 30 0A 55 -66,-0.7 -66,-1.6 0, 0.0 2,-0.6 -0.987 17.5-130.0-126.1 124.0 -5.8 -1.0 -8.3 97 94 A P E B 29 0A 88 0, 0.0 -68,-0.2 0, 0.0 -70,-0.0 -0.610 360.0 360.0 -75.0 115.1 -4.9 -4.7 -8.0 98 95 A L 0 0 79 -70,-0.6 -69,-0.1 -2,-0.6 -84,-0.1 0.936 360.0 360.0 -84.6 360.0 -1.3 -5.1 -9.2