==== 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 3VKA . COMPND 2 MOLECULE: MOEO5; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GHANAENSIS; . AUTHOR F.REN,T.-P.KO,C.-H.HUANG,R.-T.GUO . 505 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 15.8 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 . 38 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 0 0 2 2 6 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 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 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 0 137 0, 0.0 131,-0.1 0, 0.0 130,-0.0 0.000 360.0 360.0 360.0 153.4 12.0 -7.6 15.4 2 17 A P - 0 0 16 0, 0.0 3,-0.2 0, 0.0 4,-0.1 -0.366 360.0-126.1 -62.2 142.1 11.7 -3.8 14.9 3 18 A P > + 0 0 52 0, 0.0 3,-2.7 0, 0.0 2,-0.2 0.874 51.2 161.2 -56.2 -36.2 8.0 -2.7 14.9 4 19 A L T 3 S+ 0 0 5 1,-0.3 133,-2.8 130,-0.2 4,-0.1 -0.380 72.9 5.9 54.1-112.3 8.7 -1.1 11.5 5 20 A W T 3 S+ 0 0 16 -2,-0.2 -1,-0.3 -3,-0.2 134,-0.2 0.496 118.0 89.0 -76.7 -8.6 5.2 -0.6 9.9 6 21 A R S < S- 0 0 92 -3,-2.7 131,-0.3 -4,-0.1 2,-0.0 -0.555 97.4 -83.7 -85.2 153.9 3.4 -1.7 13.1 7 22 A P + 0 0 71 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.349 61.4 166.1 -58.8 137.7 2.5 0.8 15.8 8 23 A G > - 0 0 15 -4,-0.1 4,-1.9 129,-0.1 5,-0.2 -0.446 50.4 -58.7-131.8-152.6 5.4 1.5 18.1 9 24 A R H > S+ 0 0 197 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.838 126.4 51.4 -69.9 -33.9 6.5 3.9 20.8 10 25 A V H > S+ 0 0 6 88,-0.2 4,-2.8 2,-0.2 5,-0.2 0.945 111.2 46.7 -71.8 -48.3 6.4 7.0 18.7 11 26 A L H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.908 110.5 53.4 -58.2 -39.2 2.9 6.5 17.5 12 27 A A H X S+ 0 0 33 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.928 110.2 48.7 -61.5 -43.3 1.7 5.7 21.1 13 28 A R H X S+ 0 0 88 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.954 111.5 48.1 -63.5 -45.7 3.3 9.0 22.2 14 29 A L H < S+ 0 0 5 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.854 113.1 48.9 -62.3 -35.1 1.6 10.9 19.4 15 30 A R H < S+ 0 0 83 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.866 119.8 35.9 -69.8 -37.5 -1.8 9.3 20.2 16 31 A E H < S+ 0 0 148 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.750 93.4 98.6 -92.1 -27.6 -1.6 9.9 23.9 17 32 A H S < S- 0 0 55 -4,-2.8 3,-0.1 -5,-0.2 31,-0.1 -0.246 85.5 -94.8 -64.6 146.4 0.1 13.4 24.1 18 33 A Q - 0 0 158 1,-0.1 30,-0.1 29,-0.0 -1,-0.1 -0.328 50.7-102.9 -55.1 137.5 -1.9 16.5 24.6 19 34 A P + 0 0 62 0, 0.0 213,-0.2 0, 0.0 212,-0.1 -0.272 65.4 118.3 -61.8 151.1 -2.7 18.1 21.2 20 35 A G E -a 232 0A 8 211,-1.9 213,-1.7 -3,-0.1 232,-0.1 -0.997 58.5 -40.5 174.6-172.7 -0.6 21.1 20.3 21 36 A P E -a 233 0A 20 0, 0.0 27,-0.4 0, 0.0 2,-0.4 -0.368 41.8-162.1 -72.2 155.4 1.9 22.9 18.1 22 37 A V E -a 234 0A 0 211,-2.5 213,-1.6 25,-0.1 2,-0.3 -0.971 13.2-137.8-138.5 123.5 4.9 21.0 16.7 23 38 A H E -a 235 0A 2 -2,-0.4 28,-1.5 26,-0.3 2,-0.5 -0.647 12.4-152.3 -84.7 138.0 8.0 22.8 15.3 24 39 A I E -b 51 0A 12 211,-2.6 2,-0.5 -2,-0.3 28,-0.2 -0.954 5.3-156.4-110.6 120.6 9.4 21.4 12.1 25 40 A I E -b 52 0A 0 26,-2.7 28,-1.7 -2,-0.5 211,-0.1 -0.864 10.3-143.6 -99.4 123.5 13.2 22.0 11.6 26 41 A D >> - 0 0 21 -2,-0.5 4,-3.0 26,-0.2 3,-1.7 -0.806 14.8-163.9 -84.6 103.5 14.4 21.9 8.0 27 42 A P T 34 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.605 83.8 58.0 -69.3 -8.1 17.8 20.3 8.5 28 43 A F T 34 S+ 0 0 60 25,-0.2 26,-0.1 28,-0.2 -2,-0.0 0.461 119.3 29.4 -99.7 0.3 19.1 21.3 5.1 29 44 A K T <4 S+ 0 0 124 -3,-1.7 -1,-0.1 1,-0.1 25,-0.0 0.629 107.4 71.3-122.1 -35.1 18.5 25.0 5.9 30 45 A V S < S- 0 0 6 -4,-3.0 -1,-0.1 1,-0.0 5,-0.1 -0.728 84.8-120.2 -93.7 124.1 18.9 25.4 9.6 31 46 A P >> - 0 0 72 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.360 23.5-119.4 -60.1 146.9 22.4 25.0 11.0 32 47 A V H 3> S+ 0 0 57 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.841 112.4 57.3 -59.3 -38.0 22.8 22.2 13.5 33 48 A T H 3> S+ 0 0 103 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.903 109.7 45.2 -61.6 -37.4 23.8 24.5 16.3 34 49 A E H <> S+ 0 0 48 -3,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.862 109.9 54.7 -70.8 -38.7 20.6 26.5 15.8 35 50 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.919 108.6 49.8 -58.4 -41.9 18.6 23.2 15.7 36 51 A V H X S+ 0 0 50 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.888 110.1 49.3 -66.6 -40.4 20.1 22.2 19.0 37 52 A E H X S+ 0 0 85 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.916 114.7 45.8 -60.9 -46.0 19.2 25.6 20.6 38 53 A K H >X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 3,-0.6 0.931 106.1 58.2 -63.1 -45.7 15.7 25.2 19.3 39 54 A A H 3X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.3 -1,-0.2 0.862 102.6 55.9 -54.0 -40.1 15.3 21.6 20.4 40 55 A A H 3X S+ 0 0 42 -4,-1.6 4,-1.8 1,-0.2 -1,-0.3 0.892 109.2 45.1 -60.7 -39.3 16.0 22.7 24.0 41 56 A E H S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 4,-0.3 0.873 106.3 52.2 -62.4 -35.6 10.8 22.7 22.3 43 58 A T H ><5S+ 0 0 41 -4,-1.7 3,-1.6 -5,-0.2 -1,-0.2 0.950 107.8 50.4 -64.2 -50.8 11.5 20.4 25.1 44 59 A R H 3<5S+ 0 0 180 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.824 108.8 53.2 -56.8 -34.5 10.6 23.1 27.7 45 60 A L T 3<5S- 0 0 71 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.516 110.9-124.8 -79.2 -7.7 7.3 23.8 25.9 46 61 A G T < 5 + 0 0 35 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.812 42.2 175.8 69.5 33.0 6.4 20.2 26.1 47 62 A F < - 0 0 10 -5,-2.0 -1,-0.1 1,-0.1 -25,-0.1 -0.277 37.3-120.6 -65.7 159.8 5.9 19.5 22.4 48 63 A A S S- 0 0 1 -27,-0.4 2,-0.3 -30,-0.1 -1,-0.1 0.802 80.2 -20.0 -74.3 -30.2 5.1 15.9 21.4 49 64 A A - 0 0 0 28,-0.2 2,-0.5 -7,-0.0 -26,-0.3 -0.962 59.3-111.6-165.4 170.4 8.0 15.4 19.0 50 65 A V E - c 0 79A 0 28,-2.8 30,-2.7 -2,-0.3 2,-0.4 -0.988 30.9-155.3-116.6 121.3 10.6 17.2 16.9 51 66 A L E -bc 24 80A 4 -28,-1.5 -26,-2.7 -2,-0.5 2,-0.5 -0.837 6.5-162.5 -96.0 137.0 10.1 16.8 13.2 52 67 A L E +bc 25 81A 0 28,-2.7 30,-2.3 -2,-0.4 2,-0.3 -0.993 32.4 154.9-113.2 118.9 13.1 17.2 10.8 53 68 A A E + c 0 82A 15 -28,-1.7 2,-0.3 -2,-0.5 30,-0.2 -0.999 18.2 160.6-150.2 148.8 11.6 17.8 7.3 54 69 A S - 0 0 17 28,-1.2 -2,-0.0 -2,-0.3 3,-0.0 -0.970 37.9-137.2-161.4 152.1 12.3 19.3 3.9 55 70 A T S S+ 0 0 33 -2,-0.3 2,-0.4 28,-0.1 -1,-0.1 0.812 95.9 50.8 -76.8 -30.4 11.1 19.1 0.4 56 71 A D + 0 0 76 -3,-0.1 2,-0.3 27,-0.1 -28,-0.2 -0.860 64.2 154.4-114.4 141.9 14.7 19.1 -0.8 57 72 A Y - 0 0 25 -2,-0.4 2,-0.3 -30,-0.0 3,-0.1 -0.984 14.1-177.7-158.3 156.1 17.8 17.1 0.3 58 73 A E S S+ 0 0 152 -2,-0.3 5,-0.1 1,-0.1 -2,-0.0 -0.961 73.5 17.3-151.3 154.5 21.1 15.8 -0.9 59 74 A S S > S+ 0 0 81 -2,-0.3 4,-2.1 3,-0.1 5,-0.3 0.917 77.0 176.2 48.5 51.4 23.8 13.7 0.7 60 75 A F H > + 0 0 15 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.884 63.7 46.2 -54.9 -51.1 21.2 12.6 3.1 61 76 A E H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.920 114.5 44.2 -67.5 -44.5 23.0 10.0 5.1 62 77 A S H 4 S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.866 120.6 42.5 -70.8 -27.4 26.2 11.9 5.7 63 78 A H H X S+ 0 0 69 -4,-2.1 4,-1.1 1,-0.1 -2,-0.2 0.925 119.3 41.2 -77.1 -45.1 24.3 15.0 6.6 64 79 A M H X S+ 0 0 0 -4,-3.2 4,-3.2 -5,-0.3 5,-0.3 0.773 98.9 67.8 -80.7 -27.9 21.6 13.5 8.7 65 80 A E H X S+ 0 0 88 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.971 111.6 34.3 -60.4 -50.4 23.3 11.0 10.8 66 81 A P H > S+ 0 0 82 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.836 117.5 55.1 -71.0 -30.2 25.2 13.6 12.8 67 82 A Y H X S+ 0 0 9 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.952 110.0 45.6 -66.0 -48.3 22.4 16.1 12.7 68 83 A V H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.919 111.9 52.6 -59.9 -42.4 19.9 13.6 14.2 69 84 A A H X S+ 0 0 61 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.890 109.3 49.4 -61.7 -39.4 22.5 12.6 16.8 70 85 A A H X S+ 0 0 32 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.926 113.1 45.8 -66.2 -44.4 23.0 16.3 17.8 71 86 A V H >X S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 4,-1.0 0.949 110.9 52.3 -65.4 -43.7 19.3 16.9 18.1 72 87 A K H 3< S+ 0 0 68 -4,-2.9 3,-0.4 1,-0.3 -1,-0.2 0.850 105.8 56.0 -60.5 -32.5 18.7 13.7 20.1 73 88 A A H 3< S+ 0 0 93 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.738 110.0 47.1 -71.4 -16.7 21.4 14.8 22.5 74 89 A A H << S+ 0 0 30 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.550 118.2 27.8 -99.7 -13.1 19.5 18.0 23.1 75 90 A T < - 0 0 6 -4,-1.0 -1,-0.1 -3,-0.4 -35,-0.1 -0.996 54.3-146.6-149.5 150.3 16.0 16.7 23.7 76 91 A P S S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 0.497 71.0 111.2 -92.0 -4.7 14.3 13.6 24.9 77 92 A L S S- 0 0 5 -38,-0.1 -28,-0.2 1,-0.1 -2,-0.1 -0.351 83.6 -96.1 -67.3 145.1 11.4 14.2 22.5 78 93 A P - 0 0 14 0, 0.0 -28,-2.8 0, 0.0 2,-0.6 -0.426 33.6-135.9 -63.7 144.0 11.2 11.7 19.6 79 94 A V E -c 50 0A 0 17,-0.2 19,-1.7 -30,-0.2 20,-1.5 -0.889 23.1-169.5-106.7 118.8 12.9 12.8 16.4 80 95 A V E -cd 51 99A 2 -30,-2.7 -28,-2.7 -2,-0.6 2,-0.3 -0.953 10.7-145.8-116.7 129.9 10.8 12.1 13.4 81 96 A L E -cd 52 100A 3 18,-2.6 20,-3.3 -2,-0.5 2,-0.3 -0.719 15.2-178.3 -95.5 139.9 12.0 12.4 9.8 82 97 A H E +c 53 0A 31 -30,-2.3 -28,-1.2 -2,-0.3 20,-0.1 -0.857 22.0 136.6-142.1 106.5 9.6 13.6 7.0 83 98 A F - 0 0 8 18,-0.5 -28,-0.1 -2,-0.3 -27,-0.1 -0.969 52.7 -98.7-144.0 154.5 11.0 13.8 3.4 84 99 A P - 0 0 17 0, 0.0 2,-0.1 0, 0.0 29,-0.0 -0.397 40.0-116.4 -74.7 157.4 9.7 12.8 -0.0 85 100 A P - 0 0 4 0, 0.0 6,-0.2 0, 0.0 32,-0.1 -0.455 18.8-145.0 -87.4 162.3 10.8 9.5 -1.6 86 101 A R B >> -I 90 0B 108 4,-1.9 4,-2.5 -2,-0.1 3,-2.5 -0.997 27.3-106.2-129.7 132.4 12.8 9.2 -4.8 87 102 A P T 34 S+ 0 0 89 0, 0.0 30,-0.0 0, 0.0 26,-0.0 -0.299 108.6 29.8 -57.4 134.6 12.4 6.4 -7.3 88 103 A G T 34 S+ 0 0 66 1,-0.0 0, 0.0 0, 0.0 0, 0.0 0.114 130.0 40.6 99.9 -13.2 15.2 3.9 -7.1 89 104 A A T <4 S- 0 0 64 -3,-2.5 2,-0.2 1,-0.1 35,-0.1 0.628 85.0-152.9-133.0 -30.5 15.7 4.7 -3.4 90 105 A G B < -I 86 0B 1 -4,-2.5 -4,-1.9 2,-0.0 -1,-0.1 -0.605 60.7 -11.3 82.1-152.3 12.4 5.0 -1.6 91 106 A F S S- 0 0 11 26,-0.4 2,-0.1 -6,-0.2 11,-0.0 -0.588 78.7-110.8 -84.5 145.6 12.3 7.2 1.5 92 107 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 -0.462 40.7-177.7 -74.7 148.5 15.6 8.4 2.9 93 108 A V - 0 0 15 -2,-0.1 2,-0.3 7,-0.0 -29,-0.1 -0.997 15.4-174.6-148.2 146.8 16.6 7.0 6.3 94 109 A V > - 0 0 3 -2,-0.3 3,-1.2 -30,-0.1 2,-0.1 -0.991 34.4-104.7-137.4 151.2 19.4 7.3 8.8 95 110 A R T 3 S+ 0 0 73 -2,-0.3 39,-0.1 1,-0.2 -27,-0.1 -0.385 101.7 42.5 -69.1 154.9 20.0 5.4 12.0 96 111 A G T 3 S+ 0 0 40 37,-0.7 -1,-0.2 1,-0.4 -17,-0.2 0.053 79.7 120.7 96.6 -27.2 19.2 7.2 15.2 97 112 A A < - 0 0 6 -3,-1.2 -1,-0.4 1,-0.1 -17,-0.1 -0.486 58.0-145.4 -67.3 143.5 15.9 8.6 14.0 98 113 A D S S- 0 0 46 -19,-1.7 38,-2.3 1,-0.3 2,-0.3 0.865 75.0 -7.1 -75.2 -36.6 13.0 7.5 16.2 99 114 A A E -de 80 136A 0 -20,-1.5 -18,-2.6 36,-0.3 2,-0.4 -0.989 55.1-137.6-155.1 158.5 10.6 7.4 13.3 100 115 A L E -de 81 137A 3 36,-2.4 38,-2.8 -2,-0.3 2,-0.6 -0.987 22.0-137.9-115.4 134.0 10.1 8.2 9.6 101 116 A L E - e 0 138A 3 -20,-3.3 -18,-0.5 -2,-0.4 38,-0.2 -0.835 19.4-156.3 -88.5 122.9 6.8 9.7 8.6 102 117 A L E - e 0 139A 3 36,-2.6 38,-2.5 -2,-0.6 2,-0.5 -0.879 5.7-153.7-107.1 105.9 5.8 7.9 5.3 103 118 A P E - 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