==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-NOV-11 3VKB . COMPND 2 MOLECULE: MOEO5; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GHANAENSIS; . AUTHOR F.REN,T.-P.KO,C.-H.HUANG,R.-T.GUO . 507 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.6 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 . 2 0.4 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 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.2 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 2 0 0 2 4 4 2 0 2 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 4 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 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 16 A A 0 0 141 0, 0.0 131,-0.1 0, 0.0 130,-0.0 0.000 360.0 360.0 360.0 119.8 -12.4 -17.5 2.2 2 17 A P - 0 0 26 0, 0.0 3,-0.2 0, 0.0 4,-0.1 -0.297 360.0-136.6 -59.9 134.1 -11.6 -15.4 -1.0 3 18 A P > + 0 0 49 0, 0.0 3,-2.9 0, 0.0 2,-0.2 0.842 44.7 163.8 -59.1 -30.3 -7.9 -15.1 -1.8 4 19 A L T 3 S+ 0 0 9 1,-0.3 133,-2.9 130,-0.1 4,-0.1 -0.334 73.2 7.0 50.2-111.5 -8.6 -11.3 -2.5 5 20 A W T 3 S+ 0 0 15 -3,-0.2 -1,-0.3 131,-0.2 134,-0.2 0.530 118.6 88.7 -74.6 -10.3 -5.2 -9.7 -2.5 6 21 A R S < S- 0 0 102 -3,-2.9 131,-0.3 -4,-0.1 0, 0.0 -0.609 97.3 -84.9 -86.5 153.5 -3.4 -13.1 -2.3 7 22 A P + 0 0 69 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.308 60.8 163.4 -57.9 136.2 -2.5 -15.0 -5.5 8 23 A G > - 0 0 18 -4,-0.1 4,-1.8 129,-0.1 5,-0.1 -0.446 51.9 -56.5-133.0-151.8 -5.4 -17.0 -6.7 9 24 A R H > S+ 0 0 185 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.841 125.6 51.7 -67.7 -36.5 -6.5 -18.8 -9.9 10 25 A V H > S+ 0 0 4 2,-0.2 4,-2.7 88,-0.2 5,-0.2 0.942 111.1 46.2 -69.3 -45.9 -6.4 -15.9 -12.3 11 26 A L H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.903 110.6 54.6 -62.3 -36.1 -2.9 -14.9 -11.4 12 27 A A H X S+ 0 0 37 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.935 109.2 48.2 -62.5 -42.2 -1.8 -18.5 -11.6 13 28 A R H X S+ 0 0 93 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.942 111.2 49.2 -65.3 -45.5 -3.2 -18.7 -15.1 14 29 A L H < S+ 0 0 5 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.848 112.1 49.8 -62.1 -32.8 -1.5 -15.4 -16.2 15 30 A R H < S+ 0 0 91 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.897 119.7 35.2 -71.5 -37.5 1.8 -16.7 -14.8 16 31 A E H < S+ 0 0 161 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.776 94.0 100.1 -88.8 -30.3 1.6 -20.1 -16.6 17 32 A H S < S- 0 0 57 -4,-2.8 3,-0.1 -5,-0.2 31,-0.1 -0.197 84.1 -97.2 -62.7 145.4 -0.1 -19.2 -19.9 18 33 A Q - 0 0 159 1,-0.1 30,-0.2 29,-0.0 -1,-0.1 -0.363 49.7-101.7 -58.0 139.0 1.9 -18.7 -23.1 19 34 A P + 0 0 64 0, 0.0 213,-0.2 0, 0.0 -1,-0.1 -0.261 65.6 120.1 -61.6 151.1 2.7 -15.0 -23.7 20 35 A G E -a 232 0A 9 211,-2.1 213,-1.9 -3,-0.1 2,-0.1 -0.994 58.2 -44.3 176.8-171.6 0.5 -13.3 -26.3 21 36 A P E -a 233 0A 21 0, 0.0 27,-0.4 0, 0.0 2,-0.4 -0.406 41.0-159.7 -76.3 158.3 -2.0 -10.6 -27.2 22 37 A V E -a 234 0A 1 211,-2.5 213,-1.8 25,-0.1 2,-0.3 -0.974 12.8-137.4-138.7 121.1 -5.0 -9.8 -25.0 23 38 A H E -a 235 0A 1 -2,-0.4 28,-1.6 26,-0.3 2,-0.6 -0.630 13.2-152.4 -81.8 136.7 -8.0 -8.0 -26.3 24 39 A I E -b 51 0A 12 211,-2.7 2,-0.5 -2,-0.3 28,-0.2 -0.950 5.8-157.7-111.6 119.2 -9.5 -5.4 -24.1 25 40 A I E -b 52 0A 0 26,-2.6 28,-1.7 -2,-0.6 211,-0.1 -0.860 11.0-142.7 -97.8 125.8 -13.2 -4.7 -24.5 26 41 A D >> - 0 0 14 -2,-0.5 4,-2.8 26,-0.2 3,-1.9 -0.788 13.9-164.6 -88.4 104.7 -14.4 -1.3 -23.4 27 42 A P T 34 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.604 84.5 57.4 -67.7 -11.0 -17.8 -2.3 -21.9 28 43 A F T 34 S+ 0 0 49 28,-0.2 26,-0.0 25,-0.2 -2,-0.0 0.391 120.2 28.0 -96.8 2.4 -19.1 1.3 -21.8 29 44 A K T <4 S+ 0 0 124 -3,-1.9 -1,-0.1 1,-0.2 25,-0.0 0.557 107.0 74.2-128.9 -29.0 -18.5 1.7 -25.6 30 45 A V S < S- 0 0 6 -4,-2.8 -1,-0.2 2,-0.0 5,-0.1 -0.788 83.7-121.7 -97.6 124.1 -18.9 -1.8 -27.1 31 46 A P >> - 0 0 72 0, 0.0 4,-2.1 0, 0.0 3,-0.8 -0.378 24.0-119.5 -60.8 145.7 -22.4 -3.2 -27.3 32 47 A V H 3> S+ 0 0 55 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.829 111.5 57.9 -58.2 -34.5 -22.8 -6.4 -25.3 33 48 A T H 3> S+ 0 0 100 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.895 108.7 46.4 -64.6 -34.8 -23.8 -8.4 -28.4 34 49 A E H <> S+ 0 0 48 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.876 109.3 54.0 -72.9 -37.6 -20.6 -7.4 -30.0 35 50 A A H X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.2 -2,-0.2 0.922 107.8 51.2 -62.4 -39.2 -18.6 -8.2 -26.9 36 51 A V H X S+ 0 0 50 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.895 110.2 48.4 -65.4 -37.8 -20.1 -11.7 -26.9 37 52 A E H X S+ 0 0 85 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.921 114.3 46.6 -66.3 -46.0 -19.2 -12.3 -30.6 38 53 A K H >X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 3,-0.7 0.943 107.2 57.0 -60.1 -49.4 -15.7 -11.1 -29.9 39 54 A A H 3X S+ 0 0 0 -4,-3.3 4,-1.8 1,-0.3 -1,-0.2 0.874 102.7 55.7 -54.5 -36.2 -15.4 -13.2 -26.7 40 55 A A H 3X S+ 0 0 42 -4,-1.6 4,-1.6 1,-0.2 -1,-0.3 0.895 110.2 45.1 -64.5 -36.7 -16.1 -16.4 -28.8 41 56 A E H S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 4,-0.4 0.866 105.5 53.9 -60.6 -33.4 -10.8 -14.7 -28.3 43 58 A T H ><5S+ 0 0 44 -4,-1.8 3,-1.7 -5,-0.2 -1,-0.2 0.955 106.8 49.8 -65.2 -48.8 -11.5 -18.2 -26.9 44 59 A R H 3<5S+ 0 0 178 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.833 108.2 53.8 -58.6 -34.5 -10.6 -19.8 -30.2 45 60 A L T 3<5S- 0 0 69 -4,-2.1 -1,-0.3 1,-0.0 -2,-0.2 0.549 109.4-127.8 -76.8 -9.1 -7.3 -17.8 -30.3 46 61 A G T < 5 + 0 0 36 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.836 40.5 177.3 68.4 31.2 -6.5 -19.1 -26.8 47 62 A F < - 0 0 11 -5,-1.9 -1,-0.1 1,-0.1 -25,-0.1 -0.312 37.5-118.6 -64.6 156.5 -5.9 -15.7 -25.3 48 63 A A S S- 0 0 1 -27,-0.4 2,-0.3 -30,-0.2 -1,-0.1 0.813 81.1 -19.5 -69.9 -31.4 -5.1 -15.8 -21.5 49 64 A A - 0 0 1 28,-0.2 2,-0.5 -35,-0.0 -26,-0.3 -0.966 60.1-111.1-163.6 169.1 -8.1 -13.7 -20.4 50 65 A V E - c 0 79A 0 28,-2.7 30,-2.6 -2,-0.3 2,-0.4 -0.981 32.7-155.9-110.7 121.7 -10.7 -11.2 -21.5 51 66 A L E -bc 24 80A 2 -28,-1.6 -26,-2.6 -2,-0.5 2,-0.5 -0.851 6.8-162.5 -98.9 135.4 -10.1 -7.8 -20.0 52 67 A L E +bc 25 81A 0 28,-2.8 30,-2.0 -2,-0.4 2,-0.3 -0.987 31.8 154.9-110.8 118.1 -13.1 -5.3 -19.7 53 68 A A E + c 0 82A 15 -28,-1.7 2,-0.3 -2,-0.5 30,-0.2 -0.999 17.4 158.2-149.5 150.3 -11.6 -1.8 -19.2 54 69 A S - 0 0 11 28,-1.2 -2,-0.0 -2,-0.3 -29,-0.0 -0.965 37.4-138.1-165.5 150.3 -12.3 1.8 -19.6 55 70 A T S S+ 0 0 30 -2,-0.3 2,-0.3 28,-0.2 -1,-0.1 0.865 95.4 53.6 -77.0 -39.3 -11.1 5.1 -18.2 56 71 A D + 0 0 77 -3,-0.1 2,-0.3 27,-0.1 -28,-0.2 -0.748 65.5 152.9 -97.6 143.4 -14.8 6.4 -18.1 57 72 A Y - 0 0 22 -2,-0.3 2,-0.3 -30,-0.0 3,-0.1 -0.975 15.0-178.6-160.8 155.3 -17.7 4.7 -16.5 58 73 A E S S+ 0 0 149 -2,-0.3 5,-0.1 1,-0.1 -2,-0.0 -0.973 72.7 16.8-152.1 152.7 -21.1 5.4 -14.9 59 74 A S S > S+ 0 0 79 -2,-0.3 4,-2.3 3,-0.1 5,-0.3 0.898 76.2 176.6 51.1 46.3 -23.8 3.3 -13.2 60 75 A F H > + 0 0 16 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.877 64.5 46.8 -50.7 -51.8 -21.1 0.7 -13.0 61 76 A E H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.940 113.9 43.0 -64.8 -46.3 -23.1 -2.0 -11.1 62 77 A S H 4 S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.860 121.7 42.8 -68.7 -32.2 -26.3 -2.1 -13.0 63 78 A H H X S+ 0 0 70 -4,-2.3 4,-1.1 1,-0.1 -2,-0.2 0.924 118.9 40.9 -75.3 -45.1 -24.4 -1.9 -16.3 64 79 A M H X S+ 0 0 0 -4,-3.1 4,-3.0 -5,-0.3 5,-0.3 0.774 98.4 68.9 -80.4 -27.2 -21.6 -4.4 -15.5 65 80 A E H X S+ 0 0 87 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.971 111.2 33.7 -59.0 -52.2 -23.3 -7.2 -13.7 66 81 A P H > S+ 0 0 79 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.854 116.7 56.2 -72.2 -28.5 -25.2 -8.4 -16.8 67 82 A Y H X S+ 0 0 10 -4,-1.1 4,-2.6 2,-0.2 5,-0.2 0.956 109.9 45.4 -64.8 -48.6 -22.4 -7.4 -19.2 68 83 A V H X S+ 0 0 1 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.922 112.2 52.3 -60.0 -41.6 -20.0 -9.6 -17.2 69 84 A A H X S+ 0 0 59 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.896 109.8 49.1 -61.8 -39.4 -22.5 -12.4 -17.1 70 85 A A H X S+ 0 0 32 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.926 113.5 45.0 -67.0 -43.5 -23.0 -12.2 -20.9 71 86 A V H >X S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 4,-0.9 0.954 111.9 52.7 -65.3 -46.4 -19.3 -12.4 -21.6 72 87 A K H 3< S+ 0 0 69 -4,-2.9 3,-0.4 1,-0.3 -1,-0.2 0.838 105.2 55.0 -60.0 -32.9 -18.8 -15.2 -19.1 73 88 A A H 3< S+ 0 0 94 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.708 110.3 48.8 -71.8 -15.4 -21.5 -17.3 -20.7 74 89 A A H << S+ 0 0 32 -3,-1.5 -2,-0.2 -4,-0.7 -1,-0.2 0.534 118.2 26.5-100.2 -9.9 -19.6 -16.9 -24.1 75 90 A T < - 0 0 6 -4,-0.9 -1,-0.2 -3,-0.4 -35,-0.1 -0.998 54.4-145.8-153.2 148.3 -16.1 -17.8 -23.0 76 91 A P S S+ 0 0 102 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 0.480 71.3 110.3 -90.8 -2.5 -14.4 -19.9 -20.3 77 92 A L S S- 0 0 7 -38,-0.1 -28,-0.2 1,-0.1 -2,-0.1 -0.411 83.4 -97.6 -69.2 149.1 -11.5 -17.4 -20.2 78 93 A P - 0 0 11 0, 0.0 -28,-2.7 0, 0.0 2,-0.5 -0.443 32.6-135.0 -68.1 148.6 -11.3 -15.4 -17.0 79 94 A V E -c 50 0A 0 17,-0.2 19,-1.7 -30,-0.2 20,-1.5 -0.904 23.5-168.8-106.3 121.3 -13.0 -11.9 -17.2 80 95 A V E -cd 51 99A 3 -30,-2.6 -28,-2.8 -2,-0.5 2,-0.3 -0.956 9.6-146.2-117.6 131.5 -10.8 -9.3 -15.6 81 96 A L E +cd 52 100A 2 18,-2.5 20,-3.2 -2,-0.5 2,-0.3 -0.699 15.5 179.8 -95.7 145.6 -11.9 -5.7 -14.8 82 97 A H E +c 53 0A 30 -30,-2.0 -28,-1.2 -2,-0.3 20,-0.1 -0.862 21.5 135.9-147.1 106.2 -9.6 -2.8 -15.0 83 98 A F - 0 0 7 18,-0.5 -28,-0.2 -2,-0.3 -27,-0.1 -0.977 53.6 -95.5-146.4 157.1 -11.0 0.7 -14.3 84 99 A P - 0 0 15 0, 0.0 2,-0.1 0, 0.0 29,-0.0 -0.338 40.7-117.3 -75.0 157.3 -9.7 3.7 -12.3 85 100 A P - 0 0 4 0, 0.0 6,-0.2 0, 0.0 32,-0.1 -0.458 18.3-143.1 -88.4 164.8 -10.8 4.2 -8.7 86 101 A R B >> -I 90 0B 111 4,-2.1 3,-2.6 -2,-0.1 4,-2.6 -0.991 26.2-107.4-129.9 130.8 -12.8 7.2 -7.3 87 102 A P T 34 S+ 0 0 90 0, 0.0 30,-0.0 0, 0.0 26,-0.0 -0.250 108.8 30.1 -54.1 136.8 -12.3 8.7 -3.9 88 103 A G T 34 S+ 0 0 67 1,-0.0 29,-0.0 29,-0.0 0, 0.0 0.107 130.1 39.6 98.4 -19.6 -15.2 7.8 -1.7 89 104 A A T <4 S- 0 0 65 -3,-2.6 2,-0.2 1,-0.1 35,-0.1 0.637 85.3-152.4-127.8 -36.1 -15.7 4.5 -3.4 90 105 A G B < -I 86 0B 1 -4,-2.6 -4,-2.1 2,-0.0 -1,-0.1 -0.632 61.4 -10.0 89.5-152.0 -12.4 2.9 -4.3 91 106 A F S S- 0 0 9 26,-0.4 2,-0.2 -6,-0.2 11,-0.0 -0.530 79.5-110.7 -81.6 148.5 -12.3 0.6 -7.3 92 107 A P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 -0.485 40.7-177.7 -78.5 148.6 -15.6 -0.4 -8.9 93 108 A V - 0 0 18 -2,-0.2 2,-0.3 7,-0.0 -29,-0.1 -0.993 14.6-174.5-146.7 148.3 -16.6 -4.0 -8.5 94 109 A V > - 0 0 3 -2,-0.3 3,-1.2 -30,-0.1 2,-0.1 -0.988 35.5-101.1-140.5 152.4 -19.4 -6.4 -9.6 95 110 A R T 3 S+ 0 0 67 -2,-0.3 -26,-0.1 1,-0.2 39,-0.1 -0.401 103.0 39.4 -67.2 149.8 -20.2 -10.0 -8.8 96 111 A G T 3 S+ 0 0 40 37,-0.7 -1,-0.2 1,-0.4 -17,-0.2 0.022 79.0 122.1 100.5 -30.8 -19.2 -12.5 -11.4 97 112 A A < - 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