==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-JUL-06 2HQV . COMPND 2 MOLECULE: AGR_C_4470P; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR. C58; . AUTHOR S.M.VOROBIEV,H.NEELY,J.SEETHARAMAN,L.ZHAO,K.CUNNINGHAM, . 172 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9842.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 27.3 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 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 . 23 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 21.5 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+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 0 1 0 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 2 1 2 1 0 0 0 1 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 1 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 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 11 A A 0 0 161 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -65.1 30.9 21.2 56.8 2 12 A Y - 0 0 211 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.367 360.0 -90.4 -68.7 147.1 31.4 19.1 60.0 3 13 A P - 0 0 101 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.236 41.1-126.6 -59.3 147.5 34.3 20.1 62.3 4 14 A X - 0 0 118 -3,-0.1 2,-0.3 4,-0.0 3,-0.0 -0.605 14.3-138.9 -93.3 155.2 37.6 18.4 61.6 5 15 A S > - 0 0 68 -2,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.788 25.7-112.2-109.9 157.2 39.7 16.5 64.2 6 16 A I H > S+ 0 0 156 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.900 119.8 46.8 -53.9 -44.2 43.4 16.8 64.6 7 17 A A H > S+ 0 0 59 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.878 110.9 51.9 -66.9 -39.2 43.8 13.2 63.5 8 18 A A H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.902 112.5 44.4 -64.8 -42.9 41.5 13.6 60.5 9 19 A Q H X S+ 0 0 77 -4,-2.5 4,-3.4 2,-0.2 -2,-0.2 0.924 113.7 51.0 -66.5 -44.7 43.4 16.7 59.3 10 20 A K H X S+ 0 0 105 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.906 108.5 52.0 -57.8 -43.5 46.6 14.9 59.9 11 21 A N H X S+ 0 0 105 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.884 112.0 47.5 -60.7 -38.5 45.2 11.9 57.9 12 22 A D H X S+ 0 0 50 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.954 110.7 49.6 -66.3 -52.6 44.4 14.4 55.1 13 23 A D H X S+ 0 0 83 -4,-3.4 4,-2.1 1,-0.3 -2,-0.2 0.914 112.9 47.6 -52.9 -47.1 47.8 16.0 55.2 14 24 A D H X S+ 0 0 70 -4,-2.8 4,-2.3 2,-0.2 -1,-0.3 0.853 109.2 55.5 -63.6 -35.0 49.5 12.6 55.0 15 25 A R H X S+ 0 0 15 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.967 109.0 44.8 -61.9 -53.2 47.1 11.7 52.2 16 26 A Q H X S+ 0 0 103 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.868 110.2 57.7 -58.4 -36.8 48.2 14.7 50.1 17 27 A A H X S+ 0 0 59 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 0.933 107.9 44.8 -59.1 -48.2 51.8 13.9 51.0 18 28 A R H X S+ 0 0 120 -4,-2.3 4,-3.3 2,-0.2 -1,-0.2 0.877 111.3 55.9 -63.3 -38.5 51.5 10.4 49.5 19 29 A A H X S+ 0 0 19 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.988 112.2 39.9 -56.1 -63.0 49.7 11.9 46.5 20 30 A L H < S+ 0 0 88 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.916 118.1 49.1 -52.2 -49.1 52.6 14.3 45.7 21 31 A A H >< S+ 0 0 68 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.894 108.8 52.1 -60.1 -42.9 55.2 11.6 46.5 22 32 A A H >< S+ 0 0 36 -4,-3.3 3,-1.4 1,-0.3 -1,-0.2 0.817 94.0 71.5 -64.3 -30.8 53.5 9.0 44.4 23 33 A L T 3< + 0 0 37 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.557 67.3 104.9 -62.7 -4.7 53.5 11.5 41.5 24 34 A A T < + 0 0 86 -3,-1.6 2,-2.8 1,-0.3 -1,-0.3 0.880 67.5 66.0 -42.0 -47.1 57.2 10.8 41.5 25 35 A E S < S- 0 0 73 -3,-1.4 -1,-0.3 1,-0.2 8,-0.1 -0.471 82.8-171.3 -77.5 69.7 56.6 8.7 38.4 26 36 A K 0 0 63 -2,-2.8 -1,-0.2 100,-0.0 -2,-0.1 0.771 360.0 360.0 -31.9 -55.4 55.7 11.9 36.6 27 37 A P 0 0 58 0, 0.0 99,-0.2 0, 0.0 98,-0.0 0.118 360.0 360.0 -85.1 360.0 54.3 10.3 33.4 28 ! 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 29 42 A E > 0 0 73 0, 0.0 4,-1.8 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 128.6 48.8 6.3 35.0 30 43 A A T 4 + 0 0 10 1,-0.2 12,-0.1 2,-0.2 13,-0.0 0.853 360.0 48.1 -60.2 -38.8 46.7 8.7 37.1 31 44 A I T 4 S+ 0 0 61 1,-0.2 -1,-0.2 3,-0.1 11,-0.0 0.936 105.7 57.8 -68.0 -46.9 44.6 5.8 38.4 32 45 A A T 4 S+ 0 0 77 1,-0.3 2,-4.4 2,-0.1 -2,-0.2 0.888 89.4 75.0 -48.8 -42.8 47.7 3.8 39.2 33 46 A A < + 0 0 29 -4,-1.8 4,-0.3 1,-0.2 3,-0.3 -0.233 62.8 123.2 -68.6 57.0 48.7 6.7 41.4 34 47 A K + 0 0 61 -2,-4.4 -1,-0.2 1,-0.2 -2,-0.1 -0.125 20.5 120.9-110.8 32.9 46.1 5.4 43.8 35 48 A A S S+ 0 0 66 -17,-0.1 -1,-0.2 -16,-0.1 -16,-0.1 0.862 93.8 1.4 -63.5 -33.3 48.5 5.0 46.7 36 49 A E S S- 0 0 32 -3,-0.3 2,-0.1 1,-0.2 -2,-0.1 0.818 116.1 -12.1-119.9 -61.0 46.2 7.4 48.5 37 50 A V S S- 0 0 37 -4,-0.3 -1,-0.2 -22,-0.1 5,-0.0 -0.471 79.4 -32.3-132.8-156.6 43.0 8.9 47.2 38 51 A A >> - 0 0 25 -2,-0.1 3,-2.7 1,-0.1 4,-0.9 -0.400 50.1-116.5 -74.0 146.2 40.7 9.6 44.3 39 52 A P H >> S+ 0 0 31 0, 0.0 4,-2.2 0, 0.0 3,-0.9 0.846 114.7 60.6 -45.7 -44.1 41.8 10.3 40.6 40 53 A A H 3> S+ 0 0 35 101,-2.5 4,-1.7 1,-0.3 102,-0.1 0.734 100.9 56.2 -60.0 -21.3 40.5 13.8 40.8 41 54 A E H <4 S+ 0 0 92 -3,-2.7 -1,-0.3 100,-0.2 4,-0.1 0.803 107.6 45.6 -81.3 -29.0 42.9 14.5 43.6 42 55 A I H X< S+ 0 0 10 -4,-0.9 3,-0.7 -3,-0.9 4,-0.4 0.820 111.5 54.6 -79.8 -32.4 45.9 13.4 41.5 43 56 A L H >< S+ 0 0 8 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.918 103.6 53.7 -65.1 -44.6 44.6 15.5 38.7 44 57 A A T 3< S+ 0 0 81 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.579 107.4 55.1 -68.0 -6.5 44.4 18.6 40.9 45 58 A I T < S+ 0 0 55 -3,-0.7 -1,-0.3 -4,-0.1 -2,-0.2 0.513 84.5 103.4-104.1 -7.7 48.1 18.0 41.7 46 59 A L S < S- 0 0 18 -3,-1.4 5,-0.2 -4,-0.4 3,-0.1 -0.242 90.2 -68.6 -70.5 162.8 49.4 17.9 38.1 47 60 A P > - 0 0 97 0, 0.0 3,-2.5 0, 0.0 4,-0.5 -0.164 68.7 -84.5 -52.3 144.3 51.3 20.9 36.6 48 61 A Q T 3 S+ 0 0 203 1,-0.3 4,-0.1 2,-0.1 -4,-0.0 -0.242 118.7 22.6 -52.1 132.9 49.1 24.0 36.1 49 62 A G T 3 S+ 0 0 42 2,-0.3 3,-0.3 -3,-0.1 -1,-0.3 0.142 97.7 94.2 95.2 -20.1 47.3 23.7 32.8 50 63 A A S < S+ 0 0 10 -3,-2.5 73,-2.6 1,-0.3 2,-0.4 0.745 93.7 34.2 -76.0 -24.5 47.6 19.9 32.5 51 64 A A E S+A 122 0A 30 -4,-0.5 2,-0.6 71,-0.2 -2,-0.3 -0.856 72.0 173.4-135.4 97.1 44.2 19.5 34.1 52 65 A V E -A 121 0A 15 69,-2.3 69,-3.6 -2,-0.4 2,-0.3 -0.931 15.7-156.3-109.1 121.7 41.6 22.1 33.2 53 66 A S E -A 120 0A 68 -2,-0.6 67,-0.3 67,-0.3 -2,-0.0 -0.746 7.7-161.2-102.6 146.2 38.0 21.5 34.3 54 67 A A E -A 119 0A 3 65,-2.9 65,-1.8 -2,-0.3 2,-0.1 -0.830 37.6 -92.4-115.3 155.1 34.8 22.9 33.0 55 68 A P E > -A 118 0A 65 0, 0.0 3,-2.6 0, 0.0 63,-0.2 -0.398 33.9-113.9 -70.5 147.4 31.5 22.9 35.0 56 69 A A G > S+ 0 0 32 61,-0.7 3,-2.0 1,-0.3 62,-0.1 0.765 111.7 71.8 -49.9 -30.2 29.2 19.9 34.7 57 70 A D G 3 S+ 0 0 110 1,-0.3 3,-0.3 60,-0.1 -1,-0.3 0.605 85.4 67.7 -66.0 -9.3 26.5 22.1 33.0 58 71 A R G <> + 0 0 105 -3,-2.6 4,-2.9 1,-0.2 5,-0.3 0.383 68.8 108.7 -89.2 4.6 28.8 22.2 29.9 59 72 A F H <> S+ 0 0 2 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 0.909 80.1 40.8 -45.1 -60.6 28.1 18.5 29.3 60 73 A D H > S+ 0 0 74 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.882 115.5 50.3 -59.4 -43.4 25.9 19.0 26.2 61 74 A A H > S+ 0 0 40 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.915 113.6 45.6 -63.4 -42.7 28.0 21.8 24.7 62 75 A I H X S+ 0 0 1 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.913 112.9 49.3 -68.3 -42.7 31.2 19.7 25.1 63 76 A W H X S+ 0 0 6 -4,-2.6 4,-1.8 -5,-0.3 -2,-0.2 0.939 112.9 47.5 -61.7 -46.7 29.7 16.6 23.7 64 77 A N H < S+ 0 0 105 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.912 111.9 52.0 -59.9 -41.9 28.3 18.5 20.7 65 78 A E H >< S+ 0 0 89 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.952 109.8 47.4 -58.9 -52.0 31.7 20.1 20.2 66 79 A X H >< S+ 0 0 0 -4,-2.9 3,-2.3 1,-0.3 23,-0.3 0.782 96.6 72.0 -64.0 -27.1 33.5 16.7 20.3 67 80 A R T 3< S+ 0 0 78 -4,-1.8 3,-0.4 1,-0.3 -1,-0.3 0.731 97.3 52.7 -61.1 -18.8 31.0 15.2 17.8 68 81 A G T < S+ 0 0 45 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.430 87.3 84.3 -95.7 2.0 32.7 17.4 15.2 69 82 A W S < S- 0 0 12 -3,-2.3 2,-0.2 1,-0.3 -1,-0.2 0.543 90.1-134.3 -80.6 -7.8 36.2 16.1 16.1 70 83 A G + 0 0 21 -3,-0.4 2,-0.7 -4,-0.3 19,-0.5 -0.607 64.7 2.3 89.6-152.1 35.9 13.1 13.8 71 84 A E S S+ 0 0 87 -2,-0.2 79,-0.3 17,-0.2 17,-0.3 -0.614 75.1 169.1 -77.9 114.4 37.0 9.7 15.0 72 85 A I E -B 87 0A 0 15,-2.2 15,-2.1 -2,-0.7 2,-0.5 -0.394 36.9-102.8-109.1-172.0 38.1 9.8 18.6 73 86 A L E -BC 86 148A 32 75,-1.9 75,-3.0 13,-0.2 2,-0.4 -0.961 27.4-157.6-122.4 115.9 38.9 7.0 21.1 74 87 A X E -BC 85 147A 20 11,-3.0 11,-2.8 -2,-0.5 2,-0.4 -0.772 13.5-171.9 -90.5 130.5 36.3 6.3 23.8 75 88 A I E +BC 84 146A 20 71,-2.5 71,-2.2 -2,-0.4 2,-0.4 -0.980 14.3 177.2-132.3 128.3 37.6 4.5 26.9 76 89 A V E -B 83 0A 62 7,-1.9 7,-3.0 -2,-0.4 2,-0.4 -0.982 15.1-171.7-122.9 134.7 35.8 3.0 29.8 77 90 A Q E +B 82 0A 99 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.993 14.3 164.2-136.4 137.5 37.8 1.3 32.6 78 91 A T - 0 0 73 3,-2.8 3,-0.1 -2,-0.4 -2,-0.0 -0.739 57.9 -89.3-131.9-179.2 37.0 -0.8 35.6 79 92 A G S S+ 0 0 88 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.719 128.2 40.4 -68.8 -17.9 39.2 -3.0 37.7 80 93 A D S S+ 0 0 166 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.625 121.5 19.5-103.1 -19.6 38.3 -5.9 35.4 81 94 A I - 0 0 98 -3,-0.1 -3,-2.8 2,-0.0 2,-0.5 -0.991 44.2-157.8-158.1 147.1 38.4 -4.3 32.0 82 95 A V E -B 77 0A 65 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.977 23.2-165.0-121.3 109.4 39.6 -1.4 29.8 83 96 A L E -B 76 0A 96 -7,-3.0 -7,-1.9 -2,-0.5 2,-0.5 -0.885 4.2-171.5-102.7 121.7 37.4 -1.0 26.7 84 97 A E E +B 75 0A 115 -2,-0.6 -9,-0.2 -9,-0.2 -2,-0.0 -0.958 5.8 179.4-116.2 118.4 38.8 1.2 24.0 85 98 A V E -B 74 0A 32 -11,-2.8 -11,-3.0 -2,-0.5 2,-0.3 -0.965 15.5-151.6-124.7 117.4 36.4 2.0 21.1 86 99 A P E +B 73 0A 53 0, 0.0 2,-0.3 0, 0.0 -13,-0.2 -0.658 45.2 101.3 -84.9 142.5 37.4 4.1 18.1 87 100 A G E S-B 72 0A 6 -15,-2.1 -15,-2.2 -2,-0.3 2,-0.2 -0.904 70.4 -71.4 163.3 169.3 34.6 6.0 16.4 88 101 A H - 0 0 103 -2,-0.3 19,-0.3 -17,-0.3 -17,-0.2 -0.606 53.9-109.8 -82.3 147.0 32.7 9.3 15.9 89 102 A L - 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