==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS 29-MAY-07 2JQ4 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN ATU2571; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR S.SRISAILAM,A.LEMAK,A.YEE,M.D.KARRA,J.A.LUKIN,C.H.ARROWSMITH . 83 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 71.1 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 . 0 0.0 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 . 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 . 4 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 19.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.6 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 0 0 0 0 0 1 0 0 1 0 1 0 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M > 0 0 71 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -45.7 1.4 -1.0 9.5 2 2 A N H > + 0 0 67 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.889 360.0 41.2 -57.8 -45.7 -0.1 -3.6 7.2 3 3 A A H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.883 115.4 53.2 -68.1 -37.2 -3.7 -2.6 7.8 4 4 A T H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.880 103.7 57.1 -62.7 -40.2 -2.6 1.1 7.6 5 5 A I H X S+ 0 0 2 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.908 113.2 37.7 -61.8 -45.7 -0.9 0.5 4.3 6 6 A R H < S+ 0 0 86 -4,-1.5 3,-0.4 1,-0.2 4,-0.3 0.806 114.0 60.0 -74.7 -27.9 -4.1 -0.8 2.6 7 7 A E H >X S+ 0 0 109 -4,-1.8 3,-2.3 1,-0.2 4,-0.6 0.885 92.0 63.9 -67.2 -41.7 -6.1 1.8 4.5 8 8 A I H >X>S+ 0 0 8 -4,-2.4 4,-3.4 1,-0.3 5,-1.4 0.814 86.4 73.0 -56.8 -32.2 -4.3 4.9 3.1 9 9 A L H 3<5S+ 0 0 4 -4,-0.5 6,-0.7 -3,-0.4 -1,-0.3 0.771 92.7 58.9 -53.2 -25.8 -5.6 4.0 -0.4 10 10 A A H <45S+ 0 0 74 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.898 119.8 22.7 -69.6 -41.0 -9.0 5.2 0.9 11 11 A K H <<5S+ 0 0 156 -3,-1.0 -2,-0.2 -4,-0.6 -3,-0.1 0.783 143.8 13.2-102.1 -33.2 -7.8 8.8 1.8 12 12 A F T <5S+ 0 0 85 -4,-3.4 -3,-0.2 25,-0.0 2,-0.2 0.717 102.8 92.5-112.1 -36.8 -4.7 9.3 -0.4 13 13 A G S - 0 0 93 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.366 26.5-134.5 -61.9 131.2 -13.6 1.3 -2.1 19 19 A V G > S+ 0 0 12 1,-0.3 3,-1.1 2,-0.2 -10,-0.0 0.692 96.9 82.8 -60.4 -18.0 -10.8 -0.2 -0.1 20 20 A D G 3 S+ 0 0 148 1,-0.3 -1,-0.3 -13,-0.1 -13,-0.0 0.820 88.1 52.6 -53.3 -34.0 -13.5 -2.1 1.8 21 21 A T G < S+ 0 0 95 -3,-2.0 -1,-0.3 10,-0.0 2,-0.2 0.711 104.7 65.3 -81.2 -20.0 -13.5 -4.7 -1.0 22 22 A I < + 0 0 9 -3,-1.1 2,-0.3 -4,-0.4 6,-0.0 -0.615 58.3 172.8-105.7 164.7 -9.8 -5.4 -0.9 23 23 A A > - 0 0 38 -2,-0.2 3,-1.2 1,-0.0 43,-0.3 -0.867 50.2 -86.0-154.3-178.6 -7.5 -6.9 1.7 24 24 A D T 3 S+ 0 0 59 1,-0.3 43,-0.5 -2,-0.3 42,-0.5 0.764 128.5 50.0 -71.9 -26.3 -3.9 -8.1 2.4 25 25 A E T 3 S+ 0 0 136 40,-0.1 2,-0.3 41,-0.1 -1,-0.3 0.303 104.5 79.4 -91.7 7.1 -4.8 -11.5 0.9 26 26 A A S < S- 0 0 29 -3,-1.2 2,-0.9 3,-0.0 40,-0.4 -0.830 88.1-110.7-116.4 154.6 -6.3 -9.8 -2.1 27 27 A D > - 0 0 62 -2,-0.3 3,-2.0 1,-0.2 4,-0.4 -0.748 24.2-159.8 -86.6 106.6 -4.7 -8.4 -5.3 28 28 A L G > >S+ 0 0 4 -2,-0.9 3,-1.5 35,-0.6 5,-1.0 0.761 86.2 68.8 -60.3 -28.1 -5.2 -4.6 -5.0 29 29 A Y G > 5S+ 0 0 146 1,-0.3 3,-0.8 3,-0.2 -1,-0.3 0.746 88.4 66.6 -65.9 -20.7 -4.7 -4.1 -8.7 30 30 A A G < 5S+ 0 0 74 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.785 97.4 53.8 -66.1 -27.7 -8.0 -5.9 -9.2 31 31 A A G < 5S- 0 0 8 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.543 135.0 -91.6 -82.6 -9.4 -9.6 -2.9 -7.5 32 32 A G T < 5 - 0 0 30 -3,-0.8 2,-0.5 -4,-0.4 -3,-0.2 0.726 56.7-178.3 104.4 29.1 -7.9 -0.7 -10.1 33 33 A L < - 0 0 32 -5,-1.0 2,-0.2 -18,-0.1 -1,-0.2 -0.482 11.0-172.8 -62.3 110.8 -4.6 0.1 -8.3 34 34 A S > - 0 0 41 -2,-0.5 4,-2.5 -20,-0.3 5,-0.2 -0.651 41.1-107.9-102.3 164.3 -2.8 2.5 -10.6 35 35 A S H > S+ 0 0 93 1,-0.2 4,-1.9 -2,-0.2 5,-0.2 0.784 124.1 57.5 -60.3 -26.0 0.8 3.8 -10.4 36 36 A F H > S+ 0 0 153 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.920 107.8 44.9 -67.6 -45.0 -1.0 7.1 -9.5 37 37 A A H > S+ 0 0 0 -23,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.889 114.0 49.8 -66.2 -39.5 -2.8 5.5 -6.6 38 38 A S H X S+ 0 0 15 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.865 108.4 51.2 -71.1 -37.2 0.4 3.8 -5.4 39 39 A V H X S+ 0 0 70 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.892 110.1 49.3 -69.3 -37.6 2.6 6.9 -5.5 40 40 A Q H X S+ 0 0 82 -4,-1.7 4,-1.9 1,-0.2 5,-0.3 0.875 106.7 58.2 -65.0 -36.7 -0.0 8.8 -3.5 41 41 A L H X S+ 0 0 5 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.908 105.2 50.6 -54.9 -44.5 0.1 5.9 -1.1 42 42 A M H X S+ 0 0 11 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.963 107.5 51.1 -59.3 -55.9 3.8 6.4 -0.7 43 43 A L H X S+ 0 0 100 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.867 118.9 36.0 -53.9 -45.3 3.6 10.1 0.1 44 44 A G H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.878 112.9 56.3 -78.4 -39.5 1.0 9.7 2.9 45 45 A I H X>S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.3 5,-0.9 0.820 100.9 60.8 -65.6 -30.1 2.2 6.4 4.3 46 46 A E H X5S+ 0 0 92 -4,-2.3 4,-0.9 -5,-0.2 3,-0.3 0.979 113.4 34.1 -58.7 -56.3 5.6 7.9 4.9 47 47 A E H <5S+ 0 0 148 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.814 109.4 71.5 -68.3 -29.7 4.2 10.5 7.3 48 48 A A H <5S- 0 0 60 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.906 129.5 -17.4 -55.7 -49.9 1.6 8.0 8.5 49 49 A F H <5S- 0 0 61 -4,-1.8 -3,-0.2 -3,-0.3 -2,-0.2 0.650 114.3 -63.0-128.6 -34.0 4.1 5.8 10.4 50 50 A D S <> - 0 0 36 0, 0.0 3,-1.8 0, 0.0 4,-1.3 -0.342 23.8-107.0 -74.8 159.0 11.6 1.9 -1.5 55 55 A D H 3> S+ 0 0 128 1,-0.3 4,-1.4 2,-0.2 3,-0.1 0.823 112.3 74.4 -53.0 -36.1 12.3 1.0 -5.2 56 56 A N H 34 S+ 0 0 150 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.784 116.3 19.0 -52.0 -32.2 13.7 -2.3 -4.1 57 57 A L H <4 S+ 0 0 5 -3,-1.8 3,-0.4 3,-0.1 6,-0.3 0.440 112.2 78.8-115.7 -7.1 10.2 -3.6 -3.3 58 58 A L H < S+ 0 0 61 -4,-1.3 2,-2.1 1,-0.3 5,-0.3 0.992 95.0 44.7 -66.7 -62.7 8.3 -1.0 -5.4 59 59 A N S < S+ 0 0 154 -4,-1.4 2,-0.3 3,-0.1 -1,-0.3 -0.549 106.6 90.5 -80.9 74.1 8.9 -2.6 -8.8 60 60 A R S > S- 0 0 172 -2,-2.1 3,-0.9 -3,-0.4 4,-0.1 -0.979 93.9 -96.5-162.5 163.2 8.0 -6.1 -7.4 61 61 A K G > S+ 0 0 165 -2,-0.3 3,-2.3 1,-0.2 4,-0.2 0.550 94.8 102.0 -62.9 -8.9 5.2 -8.6 -6.8 62 62 A S G > S+ 0 0 14 1,-0.3 3,-2.3 -5,-0.3 7,-0.6 0.849 71.1 57.8 -47.3 -47.3 5.1 -7.2 -3.2 63 63 A F G < S+ 0 0 27 -3,-0.9 -35,-0.6 -6,-0.3 -1,-0.3 0.659 91.3 72.6 -63.5 -15.0 2.0 -5.1 -3.9 64 64 A A G < S+ 0 0 31 -3,-2.3 -1,-0.3 1,-0.3 2,-0.2 0.566 110.2 29.6 -75.2 -8.7 0.1 -8.2 -4.9 65 65 A S X> - 0 0 34 -3,-2.3 4,-2.1 -4,-0.2 3,-1.0 -0.756 65.1-165.0-155.3 103.8 0.1 -9.2 -1.2 66 66 A I H 3> S+ 0 0 2 -42,-0.5 4,-3.0 -40,-0.4 5,-0.2 0.894 92.6 56.7 -56.4 -45.8 0.1 -6.5 1.6 67 67 A K H 3> S+ 0 0 58 -43,-0.5 4,-0.8 1,-0.2 -1,-0.3 0.792 110.3 47.6 -58.6 -27.6 1.1 -9.0 4.3 68 68 A A H <> S+ 0 0 48 -3,-1.0 4,-1.2 -44,-0.3 3,-0.3 0.931 114.7 42.3 -78.0 -48.4 4.2 -9.8 2.2 69 69 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 -7,-0.6 5,-0.2 0.832 107.9 61.5 -68.9 -32.3 5.2 -6.2 1.5 70 70 A E H X S+ 0 0 23 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.863 102.6 51.0 -65.3 -34.5 4.5 -5.1 5.1 71 71 A D H X S+ 0 0 88 -4,-0.8 4,-1.8 -3,-0.3 -1,-0.2 0.888 108.7 52.4 -66.6 -37.3 7.2 -7.5 6.3 72 72 A T H X S+ 0 0 47 -4,-1.2 4,-0.7 1,-0.2 -2,-0.2 0.825 110.5 46.2 -70.7 -33.1 9.6 -6.1 3.8 73 73 A V H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.813 108.0 59.4 -76.0 -29.0 9.0 -2.5 5.0 74 74 A K H X S+ 0 0 102 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.891 98.8 55.9 -63.5 -41.0 9.3 -3.8 8.6 75 75 A L H X S+ 0 0 99 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.808 99.5 62.5 -63.8 -28.6 12.9 -5.0 8.0 76 76 A I H >< S+ 0 0 33 -4,-0.7 3,-1.6 1,-0.2 -1,-0.2 0.962 101.0 50.7 -55.6 -52.0 13.6 -1.4 6.9 77 77 A L H >< S+ 0 0 68 -4,-1.2 3,-0.5 1,-0.3 -1,-0.2 0.803 99.5 67.7 -55.4 -31.1 12.8 -0.3 10.5 78 78 A D H 3< S+ 0 0 151 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.807 127.5 0.1 -62.8 -30.4 15.2 -3.0 11.7 79 79 A G T X< S+ 0 0 25 -3,-1.6 3,-0.9 -4,-0.8 4,-0.3 -0.183 74.8 150.1-158.0 54.3 18.1 -1.1 10.3 80 80 A K G X S+ 0 0 59 -3,-0.5 3,-1.9 1,-0.3 -3,-0.1 0.948 83.8 44.2 -52.2 -56.4 17.1 2.1 8.5 81 81 A E G 3 S+ 0 0 167 1,-0.3 -1,-0.3 -4,-0.2 -4,-0.1 0.570 109.2 60.4 -69.3 -8.7 20.3 3.9 9.3 82 82 A A G < 0 0 85 -3,-0.9 -1,-0.3 -6,-0.2 -2,-0.2 0.381 360.0 360.0 -98.4 0.3 22.2 0.8 8.3 83 83 A A < 0 0 147 -3,-1.9 -1,-0.1 -4,-0.3 -3,-0.0 -0.772 360.0 360.0 -89.6 360.0 20.7 0.9 4.7