==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-MAR-08 2BUE . COMPND 2 MOLECULE: AAC(6')-IB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.W.VETTING,C.H.PARK,S.S.HEDGE,D.C.HOOPER,J.S.BLANCHARD . 179 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9847.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 21.2 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 . 2 1.1 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 . 6 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 1 1 0 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 1 0 2 1 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 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 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 21 A D 0 0 146 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-144.9 19.0 -9.9 30.2 2 22 A S - 0 0 75 1,-0.0 2,-0.5 110,-0.0 61,-0.5 -0.610 360.0-144.9 -86.8 129.9 21.0 -6.7 29.8 3 23 A V E +A 62 0A 8 -2,-0.4 2,-0.2 59,-0.1 59,-0.2 -0.810 26.2 179.8 -90.0 125.1 20.7 -4.5 26.7 4 24 A T E -A 61 0A 77 57,-2.3 57,-2.8 -2,-0.5 2,-0.4 -0.730 18.7-131.2-119.9 169.0 24.0 -2.9 25.7 5 25 A L E +A 60 0A 34 -2,-0.2 2,-0.3 55,-0.2 55,-0.2 -0.979 19.0 177.5-124.6 137.2 25.2 -0.5 22.9 6 26 A R E -A 59 0A 82 53,-2.2 53,-2.7 -2,-0.4 2,-0.1 -0.932 41.9 -92.2-125.5 156.1 28.1 -0.7 20.6 7 27 A L E -A 58 0A 113 -2,-0.3 51,-0.3 51,-0.2 2,-0.2 -0.395 42.9-120.4 -59.5 139.0 29.1 1.7 17.8 8 28 A M - 0 0 6 49,-2.5 2,-0.3 62,-0.1 -1,-0.1 -0.608 31.6-160.9 -75.3 145.9 27.7 0.6 14.4 9 29 A T > - 0 0 57 -2,-0.2 3,-2.3 38,-0.1 4,-0.3 -0.795 37.2 -97.8-119.6 167.9 30.3 -0.1 11.7 10 30 A E G > S+ 0 0 121 -2,-0.3 3,-1.3 1,-0.3 4,-0.3 0.772 120.5 67.8 -52.3 -28.0 30.2 -0.3 7.9 11 31 A H G 3 S+ 0 0 151 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.621 94.6 56.7 -68.5 -14.0 30.0 -4.1 8.4 12 32 A D G <> S+ 0 0 16 -3,-2.3 4,-2.8 1,-0.1 -1,-0.2 0.457 80.1 91.7 -91.5 -5.5 26.5 -3.7 9.9 13 33 A L H <> S+ 0 0 10 -3,-1.3 4,-2.7 -4,-0.3 5,-0.2 0.880 83.0 51.2 -67.9 -39.0 25.0 -1.9 6.9 14 34 A A H > S+ 0 0 65 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.930 113.4 46.8 -60.1 -44.7 23.7 -5.0 5.1 15 35 A M H > S+ 0 0 42 -4,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.920 111.2 50.7 -61.4 -47.0 21.9 -6.1 8.4 16 36 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.916 107.8 54.2 -59.0 -41.8 20.5 -2.6 8.9 17 37 A Y H X S+ 0 0 85 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.945 108.5 48.6 -55.9 -50.1 19.2 -2.6 5.3 18 38 A E H >< S+ 0 0 111 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.954 113.6 47.8 -54.1 -51.7 17.4 -5.9 6.0 19 39 A W H >< S+ 0 0 9 -4,-2.6 3,-2.1 1,-0.2 6,-0.2 0.892 105.0 57.5 -54.8 -47.5 15.9 -4.4 9.3 20 40 A L H 3< S+ 0 0 3 -4,-3.0 15,-0.7 1,-0.3 -1,-0.2 0.605 105.8 52.7 -66.9 -11.3 14.8 -1.1 7.6 21 41 A N T << S+ 0 0 40 -3,-1.2 2,-0.3 -4,-0.8 -1,-0.3 0.276 80.2 111.9-105.7 7.6 12.7 -3.2 5.2 22 42 A R S X> S- 0 0 64 -3,-2.1 4,-2.6 1,-0.1 3,-1.6 -0.666 75.2-124.6 -78.6 137.3 10.8 -5.2 7.8 23 43 A S H 3> S+ 0 0 90 -2,-0.3 4,-1.7 1,-0.3 -1,-0.1 0.843 107.5 55.9 -55.3 -39.5 7.1 -4.3 7.9 24 44 A H H 34 S+ 0 0 28 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.712 115.4 40.1 -67.1 -18.8 7.1 -3.4 11.7 25 45 A I H X> S+ 0 0 7 -3,-1.6 4,-1.6 -6,-0.2 3,-1.5 0.833 107.3 59.1 -94.0 -45.4 9.9 -0.9 11.1 26 46 A V H 3< S+ 0 0 27 -4,-2.6 5,-0.4 1,-0.3 3,-0.3 0.872 97.1 66.6 -50.8 -38.5 8.7 0.6 7.8 27 47 A E T 3< S+ 0 0 129 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.1 0.828 120.0 15.8 -50.9 -37.6 5.5 1.6 9.6 28 48 A W T <4 S+ 0 0 90 -3,-1.5 2,-0.4 -4,-0.2 -1,-0.2 0.344 119.8 64.1-123.3 -0.7 7.4 4.1 11.8 29 49 A W S < S+ 0 0 45 -4,-1.6 6,-0.4 -3,-0.3 -1,-0.2 -0.979 89.8 28.6-140.3 123.6 10.7 4.7 10.1 30 50 A G > - 0 0 30 -2,-0.4 3,-2.4 4,-0.2 2,-0.3 -0.403 59.4-174.2 132.6 -54.4 11.7 6.1 6.8 31 51 A G G > S- 0 0 62 -5,-0.4 3,-1.6 1,-0.3 -2,-0.1 -0.522 86.8 -0.3 63.7-123.4 8.9 8.6 5.9 32 52 A E G 3 S+ 0 0 204 -2,-0.3 -1,-0.3 1,-0.3 127,-0.0 0.811 144.3 51.4 -56.7 -33.0 9.8 9.7 2.4 33 53 A E G < S+ 0 0 109 -3,-2.4 -1,-0.3 3,-0.0 -2,-0.2 0.159 79.5 141.3 -95.6 16.9 12.7 7.3 2.7 34 54 A A < + 0 0 36 -3,-1.6 -4,-0.2 1,-0.2 -13,-0.1 -0.250 67.9 20.4 -56.2 147.4 10.7 4.3 3.8 35 55 A R S S- 0 0 131 -15,-0.7 -1,-0.2 -6,-0.4 -14,-0.1 0.939 87.8-162.0 54.2 59.5 11.9 1.0 2.3 36 56 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.328 15.4-118.1 -69.1 149.3 15.4 2.2 1.4 37 57 A T > - 0 0 73 1,-0.1 4,-2.3 -2,-0.0 5,-0.2 -0.320 32.3-102.4 -73.4 168.2 17.5 0.2 -1.1 38 58 A L H > S+ 0 0 65 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.932 126.7 51.5 -57.3 -45.5 20.8 -1.3 -0.0 39 59 A A H > S+ 0 0 44 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.895 107.2 53.5 -58.5 -43.8 22.6 1.6 -1.8 40 60 A D H > S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.942 111.9 44.3 -53.8 -49.1 20.4 4.1 0.1 41 61 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.911 113.9 50.1 -68.1 -41.2 21.3 2.5 3.4 42 62 A Q H X S+ 0 0 95 -4,-2.9 4,-0.5 -5,-0.2 -1,-0.2 0.880 116.7 41.5 -59.8 -40.3 25.0 2.3 2.4 43 63 A E H < S+ 0 0 125 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.763 124.5 34.7 -77.1 -30.6 25.0 6.0 1.3 44 64 A Q H < S+ 0 0 56 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.738 121.7 39.0-100.9 -29.2 23.0 7.4 4.2 45 65 A Y H < S+ 0 0 28 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.401 72.1 127.1-110.4 0.4 23.9 5.3 7.3 46 66 A L >X - 0 0 45 -4,-0.5 4,-2.3 -5,-0.3 3,-1.2 -0.431 69.2-124.3 -54.8 127.6 27.7 4.8 6.8 47 67 A P H 3> S+ 0 0 32 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.870 109.9 53.3 -50.5 -39.7 29.0 6.0 10.2 48 68 A S H 3> S+ 0 0 65 2,-0.2 4,-0.6 1,-0.2 -2,-0.1 0.824 110.2 47.7 -64.5 -30.1 31.3 8.6 8.5 49 69 A V H X4 S+ 0 0 59 -3,-1.2 3,-0.8 2,-0.2 4,-0.4 0.907 111.4 49.2 -74.0 -44.1 28.3 10.1 6.5 50 70 A L H ><>S+ 0 0 17 -4,-2.3 5,-2.3 1,-0.2 3,-2.0 0.879 102.7 64.4 -60.8 -35.3 26.1 10.2 9.7 51 71 A A H ><5S+ 0 0 60 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.801 92.3 62.6 -57.4 -32.5 29.1 12.0 11.4 52 72 A Q T <<5S+ 0 0 152 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.664 106.7 44.4 -68.6 -17.2 28.6 14.9 8.9 53 73 A E T < 5S- 0 0 95 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.134 121.2-106.3-108.1 11.8 25.2 15.4 10.4 54 74 A S T < 5S+ 0 0 47 -3,-1.5 20,-1.7 1,-0.2 2,-0.4 0.813 76.5 140.1 62.2 34.5 26.3 15.1 14.0 55 75 A V E < - B 0 73A 17 -5,-2.3 -1,-0.2 18,-0.2 18,-0.2 -0.914 37.5-162.8-112.6 132.9 24.7 11.6 14.2 56 76 A T E - B 0 72A 54 16,-3.1 16,-2.1 -2,-0.4 2,-0.3 -0.965 12.2-147.6-116.0 119.5 26.2 8.6 15.9 57 77 A P E - B 0 71A 7 0, 0.0 -49,-2.5 0, 0.0 2,-0.3 -0.689 15.8-175.0 -90.9 140.6 24.9 5.2 15.1 58 78 A Y E -AB 7 70A 16 12,-3.4 12,-2.3 -2,-0.3 2,-0.5 -0.926 20.8-140.3-127.2 153.0 24.7 2.2 17.6 59 79 A I E -AB 6 69A 0 -53,-2.7 -53,-2.2 -2,-0.3 2,-0.4 -0.968 23.3-136.7-108.0 128.5 23.7 -1.4 17.5 60 80 A A E -AB 5 68A 0 8,-2.3 7,-3.3 -2,-0.5 8,-1.1 -0.737 22.5-159.7 -83.5 132.6 21.8 -2.7 20.5 61 81 A M E +AB 4 66A 33 -57,-2.8 -57,-2.3 -2,-0.4 2,-0.4 -0.902 16.2 179.3-119.2 141.3 23.0 -6.1 21.8 62 82 A L E > S-AB 3 65A 19 3,-2.6 3,-2.0 -2,-0.4 -59,-0.1 -0.967 77.1 -16.3-141.9 122.9 21.2 -8.7 24.0 63 83 A N T 3 S- 0 0 113 -61,-0.5 -60,-0.1 -2,-0.4 -1,-0.1 0.890 128.9 -52.2 48.9 46.5 22.9 -11.9 24.9 64 84 A G T 3 S+ 0 0 64 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.498 117.3 111.3 70.9 7.0 25.5 -11.5 22.2 65 85 A E E < S-B 62 0A 128 -3,-2.0 -3,-2.6 2,-0.0 2,-0.4 -0.908 72.6-118.4-111.2 139.3 22.9 -10.9 19.5 66 86 A P E +B 61 0A 37 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.628 38.5 167.4 -71.9 124.6 22.2 -7.6 17.6 67 87 A I E - 0 0 3 -7,-3.3 32,-2.7 -2,-0.4 33,-0.5 0.422 52.5 -8.5-122.0 -1.1 18.6 -6.7 18.4 68 88 A G E -BC 60 98A 0 -8,-1.1 -8,-2.3 30,-0.3 2,-0.4 -0.993 56.5-109.9-178.0 176.9 18.1 -3.1 17.2 69 89 A Y E +BC 59 97A 0 28,-1.8 28,-2.5 -2,-0.3 2,-0.3 -0.952 30.3 173.2-122.9 141.3 19.5 0.1 15.9 70 90 A A E -BC 58 96A 0 -12,-2.3 -12,-3.4 -2,-0.4 2,-0.3 -0.956 8.7-167.1-140.7 163.0 19.8 3.4 17.7 71 91 A Q E -BC 57 95A 26 24,-2.4 24,-1.9 -2,-0.3 2,-0.3 -0.990 6.4-158.3-146.5 147.8 21.3 6.8 17.0 72 92 A S E -BC 56 94A 6 -16,-2.1 -16,-3.1 -2,-0.3 2,-0.3 -0.932 16.4-171.9-118.5 154.0 22.1 9.9 19.1 73 93 A Y E -BC 55 93A 13 20,-2.1 20,-2.3 -2,-0.3 2,-0.8 -0.981 32.2-113.7-144.3 152.2 22.5 13.4 17.6 74 94 A V E > - C 0 92A 40 -20,-1.7 3,-0.8 -2,-0.3 18,-0.2 -0.802 29.0-153.5 -81.9 114.9 23.6 16.9 18.6 75 95 A A G > S+ 0 0 0 16,-1.7 3,-1.4 -2,-0.8 -1,-0.2 0.906 93.5 52.4 -61.1 -44.4 20.4 18.8 18.2 76 96 A L G 3 S+ 0 0 87 15,-0.4 -1,-0.3 12,-0.4 16,-0.1 0.799 110.3 53.9 -59.6 -25.2 22.1 22.2 17.6 77 97 A G G < S+ 0 0 31 -3,-0.8 -1,-0.2 -23,-0.1 -2,-0.2 0.147 83.8 120.9 -96.7 18.3 24.1 20.4 14.8 78 98 A S < - 0 0 29 -3,-1.4 3,-0.1 4,-0.2 -24,-0.1 -0.288 68.1 -80.8 -85.9 167.1 21.2 18.9 12.8 79 99 A G > - 0 0 19 -26,-0.2 3,-2.3 1,-0.2 -1,-0.2 -0.006 68.2 -61.2 -58.8 165.5 20.2 19.4 9.1 80 100 A D T 3 S+ 0 0 154 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.195 126.3 21.1 -49.0 132.4 18.3 22.4 7.8 81 101 A G T 3 S+ 0 0 30 1,-0.2 2,-0.5 -3,-0.1 3,-0.4 0.175 97.9 114.8 94.3 -18.9 14.9 22.6 9.3 82 102 A W S < S- 0 0 61 -3,-2.3 -1,-0.2 1,-0.2 -4,-0.2 -0.781 90.1 -21.1 -94.3 127.4 15.8 20.5 12.4 83 103 A W S > S+ 0 0 35 -2,-0.5 3,-1.5 1,-0.1 -1,-0.2 0.820 74.6 164.3 52.0 44.3 15.8 22.0 15.9 84 104 A E T 3 S+ 0 0 123 -3,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.641 70.4 52.9 -70.7 -16.1 16.2 25.6 14.6 85 105 A E T 3 S+ 0 0 169 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.475 83.0 116.4 -92.4 -6.4 15.2 27.1 18.0 86 106 A E < + 0 0 36 -3,-1.5 0, 0.0 1,-0.1 0, 0.0 -0.369 29.8 166.2 -65.6 142.8 17.8 25.1 19.9 87 107 A T + 0 0 119 1,-0.1 -1,-0.1 -2,-0.0 -3,-0.0 0.461 51.2 87.3-127.1 -14.0 20.6 27.1 21.6 88 108 A D > - 0 0 55 1,-0.1 3,-1.6 2,-0.0 -12,-0.4 -0.803 55.4-162.6 -99.4 113.0 22.2 24.6 24.0 89 109 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -12,-0.1 0.606 87.2 69.5 -71.0 -7.6 25.0 22.5 22.4 90 110 A G T 3 S+ 0 0 3 36,-0.1 37,-1.7 -16,-0.1 38,-0.9 0.496 73.2 107.3 -82.4 -9.2 24.6 20.0 25.2 91 111 A V E < - 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