==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-MAR-08 1V0C . 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 . 176 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 21.6 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 . 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 . 5 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 23.3 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 1 1 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 0 148 0, 0.0 2,-0.5 0, 0.0 59,-0.0 0.000 360.0 360.0 360.0-127.2 18.6 -9.7 30.2 2 22 A S - 0 0 68 1,-0.0 2,-0.6 107,-0.0 59,-0.5 -0.708 360.0-151.0 -97.8 123.8 20.9 -6.7 29.6 3 23 A V E +A 60 0A 12 -2,-0.5 2,-0.3 57,-0.1 57,-0.2 -0.825 22.7 178.5 -93.0 121.1 20.6 -4.3 26.6 4 24 A T E -A 59 0A 78 55,-2.2 55,-3.0 -2,-0.6 2,-0.4 -0.763 20.3-130.8-116.8 166.0 23.9 -2.7 25.6 5 25 A L E +A 58 0A 34 -2,-0.3 2,-0.3 53,-0.2 53,-0.2 -0.974 20.3 177.1-120.4 131.2 24.9 -0.3 22.8 6 26 A R E -A 57 0A 85 51,-2.1 51,-2.6 -2,-0.4 2,-0.0 -0.910 41.8 -93.7-117.5 157.1 27.9 -0.6 20.4 7 27 A L E -A 56 0A 113 -2,-0.3 49,-0.3 49,-0.2 2,-0.3 -0.375 41.9-118.4 -62.7 145.7 28.7 1.8 17.6 8 28 A M - 0 0 6 47,-2.5 2,-0.2 60,-0.1 -1,-0.1 -0.670 33.1-162.6 -81.8 144.1 27.3 0.8 14.2 9 29 A T > - 0 0 55 -2,-0.3 3,-1.7 35,-0.0 4,-0.2 -0.710 37.6 -97.1-115.1 173.2 29.9 0.1 11.5 10 30 A E G > S+ 0 0 135 1,-0.3 3,-1.3 -2,-0.2 4,-0.3 0.786 121.2 64.9 -54.7 -33.3 29.9 -0.2 7.7 11 31 A H G 3 S+ 0 0 171 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.659 96.3 58.0 -66.3 -15.5 29.6 -4.0 8.2 12 32 A D G <> S+ 0 0 16 -3,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.530 80.4 90.1 -91.9 -7.4 26.2 -3.5 9.8 13 33 A L H <> S+ 0 0 6 -3,-1.3 4,-2.6 -4,-0.2 -1,-0.2 0.862 83.3 50.7 -65.3 -39.6 24.6 -1.8 6.8 14 34 A A H > S+ 0 0 60 -4,-0.3 4,-2.0 -3,-0.2 -1,-0.2 0.915 113.5 46.9 -63.4 -41.6 23.3 -4.9 5.0 15 35 A M H > S+ 0 0 44 -4,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.902 112.3 49.9 -61.6 -43.5 21.6 -6.0 8.2 16 36 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.893 107.4 55.3 -63.3 -39.8 20.2 -2.5 8.8 17 37 A Y H < S+ 0 0 86 -4,-2.6 4,-0.4 2,-0.2 -2,-0.2 0.923 109.1 46.8 -57.7 -47.5 18.9 -2.5 5.2 18 38 A E H >< S+ 0 0 105 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.943 112.1 50.4 -59.7 -49.9 17.0 -5.8 6.0 19 39 A W H >< S+ 0 0 9 -4,-2.7 3,-2.2 1,-0.2 6,-0.2 0.918 104.3 57.4 -53.1 -46.5 15.6 -4.3 9.2 20 40 A L T 3< S+ 0 0 4 -4,-2.6 13,-0.6 1,-0.3 -1,-0.2 0.520 105.4 53.0 -70.7 -4.2 14.4 -1.1 7.6 21 41 A N T < S+ 0 0 42 -3,-1.4 -1,-0.3 -4,-0.4 2,-0.3 0.288 79.3 111.7-111.3 7.3 12.3 -3.2 5.2 22 42 A R S X> S- 0 0 68 -3,-2.2 4,-2.8 -4,-0.2 3,-1.3 -0.626 75.6-124.2 -78.7 139.7 10.5 -5.2 7.9 23 43 A S H 3> S+ 0 0 91 -2,-0.3 4,-1.5 1,-0.3 -1,-0.1 0.831 108.2 56.2 -59.5 -35.9 6.8 -4.3 8.0 24 44 A H H 34 S+ 0 0 25 2,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.726 116.4 39.1 -66.7 -19.6 6.7 -3.3 11.7 25 45 A I H X> S+ 0 0 7 -3,-1.3 4,-2.3 -6,-0.2 3,-1.4 0.880 108.6 57.8 -94.1 -48.5 9.5 -0.8 11.0 26 46 A V H 3< S+ 0 0 27 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.816 99.7 64.6 -49.2 -35.5 8.4 0.5 7.6 27 47 A E T 3< S+ 0 0 125 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.872 120.1 17.0 -55.5 -42.9 5.2 1.5 9.4 28 48 A W T <4 S+ 0 0 94 -3,-1.4 2,-0.5 -4,-0.3 -2,-0.2 0.517 118.1 65.2-112.7 -9.0 7.0 4.0 11.6 29 49 A W < 0 0 46 -4,-2.3 4,-0.4 -9,-0.1 -1,-0.1 -0.960 360.0 360.0-127.9 123.0 10.4 4.7 9.9 30 50 A G 0 0 92 -2,-0.5 -1,-0.1 2,-0.2 -4,-0.1 -0.111 360.0 360.0 141.8 360.0 11.3 6.3 6.6 31 ! 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 32 54 A A 0 0 82 0, 0.0 -2,-0.2 0, 0.0 -11,-0.1 0.000 360.0 360.0 360.0 150.1 10.2 4.3 3.5 33 55 A R - 0 0 139 -13,-0.6 2,-0.3 -4,-0.4 -12,-0.1 0.988 360.0-157.5 47.9 70.3 11.4 0.9 2.0 34 56 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 -14,-0.0 -0.600 10.5-124.0 -74.0 140.8 15.0 2.1 1.4 35 57 A T > - 0 0 75 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.239 32.4-100.5 -67.0 167.8 17.0 0.2 -1.3 36 58 A L H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.931 127.7 49.6 -55.5 -45.3 20.4 -1.3 -0.3 37 59 A A H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.893 106.7 55.2 -65.1 -42.5 22.1 1.7 -1.9 38 60 A D H > S+ 0 0 51 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.950 112.3 43.4 -48.8 -54.2 19.8 4.2 -0.0 39 61 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.897 112.9 53.0 -62.1 -41.9 20.8 2.6 3.3 40 62 A Q H X S+ 0 0 95 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.875 115.8 37.8 -64.8 -38.4 24.5 2.5 2.3 41 63 A E H < S+ 0 0 124 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.734 123.9 39.8 -88.1 -20.3 24.7 6.2 1.3 42 64 A Q H < S+ 0 0 97 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.790 121.6 36.8 -94.6 -34.3 22.5 7.5 4.1 43 65 A Y H < S+ 0 0 32 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.430 74.5 127.1-107.4 -1.4 23.5 5.4 7.1 44 66 A L >X - 0 0 40 -4,-0.6 4,-2.7 -5,-0.3 3,-0.9 -0.381 68.7-125.9 -47.0 123.1 27.3 5.0 6.5 45 67 A P H 3> S+ 0 0 35 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.839 109.4 51.7 -51.9 -33.3 28.6 6.2 9.9 46 68 A S H 3> S+ 0 0 67 2,-0.2 4,-0.8 1,-0.2 -2,-0.1 0.824 111.0 48.1 -71.7 -32.4 30.9 8.8 8.2 47 69 A V H X4 S+ 0 0 46 -3,-0.9 3,-0.7 2,-0.2 4,-0.3 0.920 110.6 50.1 -71.0 -44.3 27.9 10.2 6.3 48 70 A L H ><>S+ 0 0 14 -4,-2.7 5,-2.5 1,-0.2 3,-1.8 0.861 101.9 65.8 -59.5 -33.4 25.8 10.3 9.4 49 71 A A H ><5S+ 0 0 58 -4,-1.7 3,-2.1 -5,-0.3 -1,-0.2 0.863 92.9 58.4 -55.1 -39.4 28.7 12.2 11.1 50 72 A Q T <<5S+ 0 0 153 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.603 107.3 48.7 -73.0 -8.0 28.2 15.1 8.8 51 73 A E T < 5S- 0 0 78 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.273 119.6-112.1-103.0 3.4 24.7 15.3 10.1 52 74 A S T < 5S+ 0 0 58 -3,-2.1 20,-1.5 1,-0.2 2,-0.5 0.818 73.8 142.0 56.0 36.7 26.0 15.1 13.8 53 75 A V E < - B 0 71A 19 -5,-2.5 -1,-0.2 18,-0.2 18,-0.2 -0.913 37.7-163.4-108.7 130.3 24.3 11.7 13.9 54 76 A T E - B 0 70A 54 16,-3.1 16,-2.1 -2,-0.5 2,-0.3 -0.964 11.8-150.6-110.4 118.2 25.9 8.7 15.8 55 77 A P E - B 0 69A 6 0, 0.0 -47,-2.5 0, 0.0 2,-0.3 -0.688 14.8-176.0 -88.9 143.4 24.5 5.2 14.9 56 78 A Y E -AB 7 68A 17 12,-3.1 12,-2.0 -49,-0.3 2,-0.5 -0.922 21.7-138.1-131.8 154.9 24.4 2.3 17.4 57 79 A I E -AB 6 67A 0 -51,-2.6 -51,-2.1 -2,-0.3 2,-0.4 -0.965 24.3-133.6-110.7 129.6 23.4 -1.3 17.3 58 80 A A E -AB 5 66A 0 8,-2.9 7,-3.1 -2,-0.5 8,-1.0 -0.761 23.8-157.5 -83.0 135.6 21.5 -2.6 20.3 59 81 A M E +AB 4 64A 33 -55,-3.0 -55,-2.2 -2,-0.4 2,-0.3 -0.894 17.7 174.9-119.2 140.5 22.8 -5.9 21.7 60 82 A L E > S-AB 3 63A 18 3,-2.8 3,-1.9 -2,-0.4 -57,-0.1 -0.931 76.1 -16.0-147.1 118.8 21.1 -8.5 23.8 61 83 A N T 3 S- 0 0 118 -59,-0.5 -58,-0.1 -2,-0.3 -1,-0.0 0.888 127.8 -53.9 52.5 42.9 22.8 -11.8 24.8 62 84 A G T 3 S+ 0 0 60 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.350 117.9 110.4 76.5 -3.5 25.4 -11.4 22.0 63 85 A E E < S-B 60 0A 125 -3,-1.9 -3,-2.8 2,-0.0 2,-0.4 -0.837 73.1-118.3-102.8 139.2 22.7 -10.8 19.3 64 86 A P E +B 59 0A 34 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.648 36.8 169.4 -69.9 125.2 21.9 -7.5 17.5 65 87 A I E - 0 0 3 -7,-3.1 32,-2.9 -2,-0.4 33,-0.6 0.427 53.0 -13.2-121.7 -5.5 18.3 -6.6 18.4 66 88 A G E -BC 58 96A 0 -8,-1.0 -8,-2.9 30,-0.3 2,-0.4 -0.989 56.5-105.0-178.4 176.2 17.9 -3.0 17.1 67 89 A Y E +BC 57 95A 0 28,-1.2 28,-2.6 -2,-0.3 2,-0.3 -0.920 30.4 174.7-118.5 140.8 19.2 0.3 15.8 68 90 A A E -BC 56 94A 0 -12,-2.0 -12,-3.1 -2,-0.4 2,-0.3 -0.964 7.9-167.0-136.6 160.2 19.5 3.6 17.6 69 91 A Q E -BC 55 93A 27 24,-2.4 24,-1.7 -2,-0.3 2,-0.3 -0.990 5.8-161.3-140.4 150.6 21.0 7.0 16.9 70 92 A S E -BC 54 92A 5 -16,-2.1 -16,-3.1 -2,-0.3 2,-0.3 -0.922 16.4-176.5-121.6 154.3 21.8 10.1 18.9 71 93 A Y E -BC 53 91A 14 20,-1.8 20,-2.3 -2,-0.3 2,-0.7 -0.993 34.4-109.4-147.3 153.6 22.3 13.5 17.3 72 94 A V E - C 0 90A 40 -20,-1.5 18,-0.2 -2,-0.3 16,-0.1 -0.784 29.1-156.3 -81.1 114.5 23.3 17.0 18.3 73 95 A A > + 0 0 0 16,-1.5 3,-1.8 -2,-0.7 -1,-0.2 0.936 68.9 83.7 -58.9 -49.4 20.0 19.0 18.0 74 96 A L T 3 S+ 0 0 66 15,-0.4 8,-0.1 12,-0.4 11,-0.1 -0.291 106.4 6.6 -62.3 135.4 21.6 22.4 17.5 75 97 A G T 3 S+ 0 0 69 6,-0.3 -1,-0.3 9,-0.2 -2,-0.1 0.701 79.8 148.1 64.8 21.0 22.7 23.1 13.9 76 98 A S < - 0 0 17 -3,-1.8 5,-0.1 4,-0.3 -2,-0.1 0.686 43.5-153.9 -55.4 -22.8 21.0 19.8 12.7 77 99 A G > + 0 0 36 3,-0.4 3,-1.6 -4,-0.2 -1,-0.1 0.060 62.8 78.0 67.8 177.0 20.2 21.6 9.4 78 100 A D T 3 S- 0 0 124 1,-0.3 3,-0.1 3,-0.0 -1,-0.1 0.762 128.2 -54.9 55.8 35.0 17.4 20.9 6.9 79 101 A G T > S+ 0 0 36 1,-0.3 3,-0.5 76,-0.1 2,-0.4 0.399 102.6 140.2 82.8 -2.7 14.7 22.7 8.9 80 102 A W T < S- 0 0 50 -3,-1.6 -3,-0.4 1,-0.2 -4,-0.3 -0.610 72.4 -19.8 -81.2 126.3 15.5 20.5 12.0 81 103 A W T > S+ 0 0 33 -2,-0.4 3,-1.6 1,-0.1 -6,-0.3 0.804 73.7 163.7 54.4 41.6 15.5 22.0 15.5 82 104 A E T < S+ 0 0 161 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.693 70.0 54.2 -67.4 -20.1 15.9 25.6 14.3 83 105 A E T 3 S+ 0 0 192 -9,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.461 81.5 116.1 -89.8 -4.1 14.9 27.2 17.7 84 106 A E < + 0 0 34 -3,-1.6 -9,-0.2 1,-0.1 0, 0.0 -0.432 29.8 166.5 -66.1 138.9 17.5 25.2 19.6 85 107 A T + 0 0 120 -2,-0.1 -1,-0.1 -11,-0.1 -3,-0.0 0.435 51.6 88.1-122.8 -14.8 20.2 27.3 21.3 86 108 A D > - 0 0 53 1,-0.1 3,-1.4 2,-0.0 -12,-0.4 -0.824 55.0-163.8-101.1 113.2 21.8 24.8 23.6 87 109 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -14,-0.1 0.636 86.7 70.0 -67.8 -12.1 24.7 22.7 22.1 88 110 A G T 3 S+ 0 0 3 36,-0.1 37,-1.8 -16,-0.1 38,-0.9 0.537 73.7 105.8 -77.7 -10.0 24.2 20.2 25.1 89 111 A V E < - 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