==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 10-SEP-07 2R8B . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN ATU2452; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR K.TAN,X.XU,H.ZHENG,A.SAVCHENKO,A.M.EDWARDS,A.JOACHIMIAK,MIDW . 408 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 5.4 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 0.2 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 . 26 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0 0 1 2 2 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 6 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 . 2 0 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 43 A P 0 0 172 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 176.1 8.4 16.0 2.6 2 44 A X - 0 0 129 3,-0.0 0, 0.0 1,-0.0 0, 0.0 -0.700 360.0 -98.1-121.9-178.1 11.9 16.9 1.3 3 45 A T S > S+ 0 0 90 -2,-0.2 3,-1.0 1,-0.2 86,-0.1 0.911 119.0 38.3 -83.1 -43.1 13.9 20.0 2.6 4 46 A K T 3 S+ 0 0 48 1,-0.2 3,-0.3 85,-0.2 -1,-0.2 0.576 115.8 58.9 -70.7 -17.1 13.3 22.8 0.0 5 47 A D T 3 S+ 0 0 70 1,-0.2 -1,-0.2 84,-0.0 -2,-0.2 0.081 71.4 118.4 -90.7 19.3 9.8 21.4 -0.1 6 48 A S S < S+ 0 0 33 -3,-1.0 2,-0.4 -5,-0.1 -1,-0.2 0.806 74.5 39.3 -69.7 -29.0 9.4 22.1 3.6 7 49 A Y S S- 0 0 5 -3,-0.3 2,-0.3 -4,-0.1 45,-0.1 -0.889 94.4-112.5-106.4 148.7 6.5 24.5 3.1 8 50 A F + 0 0 151 -2,-0.4 43,-2.0 43,-0.3 2,-0.3 -0.599 59.4 155.2 -65.1 137.1 3.8 24.0 0.5 9 51 A H E -A 50 0A 32 -2,-0.3 2,-0.3 41,-0.3 23,-0.0 -0.999 48.1-109.5-160.9 157.9 4.5 26.7 -2.0 10 52 A K E -A 49 0A 87 39,-3.2 39,-2.9 -2,-0.3 2,-0.3 -0.715 39.0-171.3 -81.8 151.5 4.2 28.1 -5.4 11 53 A S E -A 48 0A 56 -2,-0.3 2,-0.4 37,-0.2 37,-0.2 -0.998 22.7-169.4-143.3 148.6 7.4 28.4 -7.5 12 54 A R E -A 47 0A 72 35,-2.3 35,-3.0 -2,-0.3 2,-0.1 -0.932 30.6-130.5-133.3 105.9 8.6 29.9 -10.8 13 55 A A - 0 0 71 -2,-0.4 2,-0.1 33,-0.2 33,-0.1 -0.364 30.9-165.9 -56.8 123.7 12.2 28.8 -11.8 14 56 A G - 0 0 22 1,-0.1 31,-0.2 -2,-0.1 32,-0.2 -0.437 30.3 -66.7-102.5-177.9 14.3 31.7 -12.7 15 57 A V > - 0 0 79 29,-1.5 3,-1.8 -2,-0.1 2,-0.3 -0.442 59.2 -98.1 -67.9 138.5 17.7 32.2 -14.4 16 58 A A T 3 S+ 0 0 71 1,-0.3 80,-0.2 -2,-0.1 79,-0.1 -0.396 111.6 21.9 -55.5 119.8 20.8 30.9 -12.7 17 59 A G T 3 S+ 0 0 50 78,-1.3 -1,-0.3 1,-0.5 79,-0.1 0.186 98.8 115.1 104.7 -19.8 22.5 33.8 -10.8 18 60 A A S < S- 0 0 12 -3,-1.8 79,-2.4 79,-0.2 -1,-0.5 -0.410 77.2 -73.9 -78.3 158.2 19.4 35.8 -10.7 19 61 A P - 0 0 15 0, 0.0 27,-2.9 0, 0.0 2,-0.6 -0.059 30.6-130.1 -54.7 151.8 17.7 36.6 -7.3 20 62 A L E -bc 46 99A 0 78,-2.9 80,-3.3 25,-0.2 2,-0.8 -0.953 28.8-161.4 -90.7 112.8 15.8 34.2 -5.1 21 63 A F E -bc 47 100A 0 25,-3.1 27,-3.0 -2,-0.6 2,-0.4 -0.882 9.5-175.5-105.4 110.0 12.6 36.2 -4.5 22 64 A V E -bc 48 101A 0 78,-2.9 80,-1.7 -2,-0.8 2,-0.4 -0.896 3.2-169.0-106.1 134.2 10.7 34.8 -1.5 23 65 A L E - c 0 102A 0 25,-1.9 2,-0.5 -2,-0.4 80,-0.2 -0.993 5.6-158.8-130.3 133.8 7.3 36.5 -0.6 24 66 A L E - c 0 103A 2 78,-2.3 80,-1.8 -2,-0.4 83,-0.3 -0.935 13.4-137.2-124.5 112.4 5.4 35.9 2.5 25 67 A H - 0 0 2 25,-0.6 37,-0.2 -2,-0.5 3,-0.1 -0.053 22.8-107.7 -63.4 162.9 1.6 36.6 2.7 26 68 A G > - 0 0 2 1,-0.2 3,-1.9 80,-0.2 79,-0.1 -0.273 57.2 -61.9 -77.1 172.4 -0.2 38.3 5.6 27 69 A T T 3 S+ 0 0 48 1,-0.2 -1,-0.2 77,-0.1 34,-0.2 -0.342 128.5 20.2 -49.3 131.8 -2.4 36.5 8.1 28 70 A G T 3 S+ 0 0 47 32,-1.9 -1,-0.2 1,-0.2 33,-0.1 0.191 107.0 97.4 90.9 -17.8 -5.4 35.0 6.2 29 71 A G < - 0 0 12 -3,-1.9 31,-0.4 31,-0.3 -1,-0.2 0.155 53.8-162.5 -81.3-157.2 -3.6 35.0 2.8 30 72 A D >> - 0 0 58 -3,-0.1 3,-0.8 21,-0.1 4,-0.6 -0.890 43.2 -53.3-166.9-160.4 -1.8 32.2 1.0 31 73 A E H 3> S+ 0 0 29 1,-0.2 4,-0.6 -2,-0.2 -21,-0.1 0.676 126.7 51.5 -70.3 -21.0 0.7 31.3 -1.8 32 74 A N H 34 S+ 0 0 75 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.658 87.6 82.3 -90.0 -17.1 -1.2 33.1 -4.5 33 75 A Q H <4 S+ 0 0 101 -3,-0.8 4,-0.3 1,-0.2 -2,-0.2 0.967 111.9 14.1 -42.9 -64.8 -1.4 36.4 -2.7 34 76 A F H X S+ 0 0 20 -4,-0.6 4,-2.2 1,-0.1 -1,-0.2 0.515 100.0 96.8 -99.7 -4.8 2.0 37.6 -3.6 35 77 A F H X S+ 0 0 25 -4,-0.6 4,-0.9 1,-0.2 3,-0.2 0.922 93.8 29.3 -53.5 -63.0 3.2 35.2 -6.5 36 78 A D H > S+ 0 0 98 -4,-0.5 4,-2.9 1,-0.2 5,-0.3 0.850 112.9 66.3 -77.5 -26.3 2.4 37.1 -9.7 37 79 A F H > S+ 0 0 28 -4,-0.3 4,-0.9 1,-0.3 -1,-0.2 0.937 111.6 35.0 -50.0 -51.9 2.9 40.4 -7.9 38 80 A G H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -1,-0.3 0.511 111.5 60.4 -80.2 -10.3 6.6 39.4 -7.5 39 81 A A H < S+ 0 0 23 -4,-0.9 6,-0.2 -5,-0.2 -2,-0.2 0.920 108.9 45.8 -74.6 -45.4 6.8 37.6 -10.9 40 82 A R H < S+ 0 0 164 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.817 112.7 54.0 -56.6 -37.5 5.8 41.0 -12.4 41 83 A L H < S+ 0 0 24 -4,-0.9 -1,-0.2 -5,-0.3 -2,-0.2 0.904 119.5 24.7 -74.4 -42.1 8.4 42.6 -10.2 42 84 A L S >< S- 0 0 3 -4,-1.4 3,-2.4 1,-0.1 -1,-0.3 -0.802 76.0-162.4-126.5 90.0 11.5 40.7 -11.0 43 85 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.669 86.4 22.0 -56.6 -21.0 10.8 39.4 -14.4 44 86 A Q T 3 S+ 0 0 113 -3,-0.1 -29,-1.5 2,-0.1 -26,-0.2 0.215 89.0 119.1-137.2 18.2 13.5 36.8 -14.1 45 87 A A S < S- 0 0 2 -3,-2.4 2,-0.4 -7,-0.2 -25,-0.2 -0.466 75.0-107.1 -73.8 152.9 14.1 36.2 -10.5 46 88 A T E - b 0 20A 0 -27,-2.9 -25,-3.1 -31,-0.2 2,-0.5 -0.760 46.0-144.7 -79.4 132.5 13.5 32.7 -9.4 47 89 A I E -Ab 12 21A 0 -35,-3.0 -35,-2.3 -2,-0.4 2,-0.5 -0.899 22.3-178.6-120.1 133.2 10.2 33.1 -7.4 48 90 A L E +Ab 11 22A 0 -27,-3.0 -25,-1.9 -2,-0.5 -37,-0.2 -0.960 4.9 172.7-135.2 122.6 9.1 31.4 -4.3 49 91 A S E -A 10 0A 2 -39,-2.9 -39,-3.2 -2,-0.5 2,-0.2 -0.812 10.4-171.3-142.0 100.4 5.9 31.8 -2.4 50 92 A P E -A 9 0A 0 0, 0.0 -25,-0.6 0, 0.0 2,-0.4 -0.535 22.5-128.7 -89.5 152.1 4.9 29.5 0.5 51 93 A V - 0 0 28 -43,-2.0 -43,-0.3 -2,-0.2 -21,-0.1 -0.839 42.4-104.4 -89.4 135.5 1.6 29.2 2.4 52 94 A G - 0 0 9 -2,-0.4 10,-0.2 1,-0.1 -1,-0.1 -0.124 18.3-132.2 -59.5 160.1 2.3 29.5 6.2 53 95 A D S S+ 0 0 60 7,-0.1 2,-0.4 9,-0.1 9,-0.2 0.312 80.5 78.8-104.4 6.9 2.1 26.4 8.3 54 96 A V E -G 61 0B 27 7,-2.5 7,-2.8 9,-0.1 2,-0.5 -0.943 61.9-158.2-112.8 138.0 -0.0 27.6 11.2 55 97 A S E -G 60 0B 85 -2,-0.4 2,-1.0 5,-0.2 5,-0.3 -0.974 6.3-154.8-117.5 124.2 -3.8 27.7 10.7 56 98 A E E > S-G 59 0B 41 3,-3.7 3,-1.1 -2,-0.5 4,-0.0 -0.725 76.8 -57.5-100.5 88.9 -5.7 30.1 13.1 57 99 A H T 3 S- 0 0 191 -2,-1.0 2,-0.9 1,-0.3 -1,-0.2 0.961 126.5 -22.2 17.1 85.1 -9.1 28.3 12.9 58 100 A G T 3 S+ 0 0 65 1,-0.1 -1,-0.3 -3,-0.0 2,-0.1 -0.608 118.0 96.9 102.2 -76.0 -9.0 28.8 9.2 59 101 A A E < -G 56 0B 39 -3,-1.1 -3,-3.7 -2,-0.9 2,-0.2 -0.293 67.7-136.0 -62.2 121.9 -6.6 31.8 8.5 60 102 A A E +G 55 0B 18 -31,-0.4 -32,-1.9 -5,-0.3 -31,-0.3 -0.544 30.6 165.4 -80.0 141.0 -3.1 30.6 7.6 61 103 A R E -G 54 0B 4 -7,-2.8 -7,-2.5 -2,-0.2 3,-0.1 -0.915 44.0-114.7-145.0 172.2 0.0 32.3 9.2 62 104 A F S S+ 0 0 0 -2,-0.3 2,-0.3 -10,-0.2 -9,-0.1 0.433 91.1 2.9 -91.8 -3.9 3.7 31.7 9.6 63 105 A F S S- 0 0 0 -9,-0.1 2,-0.3 16,-0.1 -1,-0.2 -0.932 83.4 -83.9-174.3 162.5 3.9 31.3 13.5 64 106 A R - 0 0 108 -2,-0.3 8,-3.4 8,-0.2 2,-0.4 -0.536 25.0-170.2 -91.1 135.0 1.7 31.3 16.5 65 107 A R B -H 71 0C 38 -2,-0.3 6,-0.3 6,-0.3 4,-0.1 -0.886 32.6-116.1-101.3 146.7 0.2 34.0 18.6 66 108 A T > - 0 0 48 4,-3.4 3,-1.8 -2,-0.4 -1,-0.1 -0.277 51.8 -73.8 -63.9 164.3 -1.5 33.1 21.8 67 109 A G G > S+ 0 0 54 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 -0.326 129.1 35.1 -50.3 145.8 -5.3 33.9 21.9 68 110 A E G 3 S- 0 0 90 204,-1.2 -1,-0.3 1,-0.2 205,-0.2 0.675 130.8 -85.2 64.6 13.6 -5.6 37.7 22.3 69 111 A G G < S+ 0 0 19 -3,-1.8 2,-0.4 203,-0.2 -1,-0.2 0.325 74.5 143.6 93.3 4.3 -2.6 38.1 20.1 70 112 A V < - 0 0 47 -3,-0.5 -4,-3.4 1,-0.1 -1,-0.2 -0.669 55.1-104.2 -88.1 132.8 0.8 37.8 21.8 71 113 A Y B -H 65 0C 24 -2,-0.4 2,-0.8 -6,-0.3 -6,-0.3 -0.254 21.1-129.9 -58.2 133.4 3.6 36.1 19.8 72 114 A D > - 0 0 28 -8,-3.4 4,-2.4 1,-0.2 -8,-0.2 -0.725 19.7-162.7 -78.0 110.1 4.6 32.6 20.7 73 115 A X H > S+ 0 0 87 -2,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.802 85.7 51.1 -72.0 -33.0 8.5 32.9 20.9 74 116 A V H > S+ 0 0 109 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.914 113.8 45.8 -66.4 -43.5 9.2 29.1 20.7 75 117 A D H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.907 111.5 52.1 -67.0 -39.6 7.1 28.8 17.6 76 118 A L H X S+ 0 0 8 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.904 111.1 46.5 -60.0 -43.4 8.6 31.9 16.1 77 119 A E H X S+ 0 0 140 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.921 112.0 52.2 -65.1 -41.8 12.1 30.5 16.7 78 120 A R H X S+ 0 0 95 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.912 113.7 43.3 -54.4 -44.6 10.9 27.2 15.2 79 121 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.781 109.6 55.2 -78.5 -32.6 9.5 29.0 12.1 80 122 A T H X S+ 0 0 7 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.942 109.7 48.0 -65.2 -46.0 12.5 31.2 11.7 81 123 A G H X S+ 0 0 33 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.821 112.8 49.0 -61.6 -35.0 14.7 28.1 11.6 82 124 A K H X S+ 0 0 62 -4,-1.4 4,-2.7 -5,-0.2 -2,-0.2 0.970 112.3 47.0 -70.2 -55.2 12.4 26.5 9.1 83 125 A X H X S+ 0 0 0 -4,-3.0 4,-3.4 1,-0.2 5,-0.2 0.907 109.8 53.0 -46.2 -55.5 12.3 29.5 6.7 84 126 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.946 113.4 43.5 -47.4 -53.5 16.0 30.0 6.8 85 127 A D H X S+ 0 0 91 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.915 112.5 52.0 -60.6 -48.6 16.6 26.3 5.8 86 128 A F H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.938 113.2 45.5 -52.4 -54.3 13.8 26.5 3.2 87 129 A I H X S+ 0 0 2 -4,-3.4 4,-2.5 1,-0.2 3,-0.4 0.968 114.4 46.1 -58.5 -56.6 15.4 29.6 1.7 88 130 A K H X S+ 0 0 97 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.850 112.5 53.3 -49.0 -39.7 19.1 28.2 1.8 89 131 A A H X S+ 0 0 20 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.868 110.8 44.4 -71.7 -36.1 17.8 24.9 0.3 90 132 A N H X S+ 0 0 0 -4,-2.0 4,-2.7 -3,-0.4 5,-0.3 0.854 104.8 62.4 -77.1 -39.6 16.1 26.6 -2.7 91 133 A R H X>S+ 0 0 84 -4,-2.5 5,-1.3 -5,-0.2 4,-1.2 0.958 109.8 43.0 -37.1 -58.9 19.1 28.8 -3.2 92 134 A E H ><5S+ 0 0 162 -4,-1.9 3,-1.0 3,-0.2 -2,-0.2 0.980 113.0 51.3 -55.2 -58.1 20.9 25.4 -3.9 93 135 A H H 3<5S+ 0 0 95 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.875 121.5 29.6 -53.3 -53.0 18.2 23.9 -6.0 94 136 A Y H 3<5S- 0 0 36 -4,-2.7 -1,-0.3 -5,-0.1 -77,-0.2 0.463 101.0-127.2 -84.6 -5.7 17.7 26.8 -8.5 95 137 A Q T <<5 + 0 0 144 -4,-1.2 -78,-1.3 -3,-1.0 -3,-0.2 0.923 48.7 176.7 57.8 43.3 21.4 28.0 -8.2 96 138 A A < - 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