==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 18-OCT-09 2KPQ . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR. C58; . AUTHOR J.R.CORT,A.YEE,C.H.ARROWSMITH,G.T.MONTELIONE,M.A.KENNEDY, . 100 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7982.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 66.0 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 . 7 7.0 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 . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 16 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 0 0 0 0 0 1 0 0 0 0 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 225 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.0 -22.7 9.3 14.9 2 2 A E - 0 0 199 2,-0.0 2,-0.1 1,-0.0 4,-0.0 -0.625 360.0-146.4 -70.8 107.4 -19.6 7.4 16.1 3 3 A V - 0 0 102 -2,-0.8 -1,-0.0 1,-0.1 0, 0.0 -0.364 18.3-124.6 -76.8 157.0 -18.2 6.1 12.9 4 4 A Q S S+ 0 0 183 -2,-0.1 -1,-0.1 2,-0.1 2,-0.1 0.566 96.5 74.4 -77.1 -9.3 -16.4 2.7 12.6 5 5 A S S S- 0 0 45 1,-0.1 2,-0.2 5,-0.1 5,-0.1 -0.224 86.5-113.7 -86.1-174.0 -13.5 4.7 11.1 6 6 A M - 0 0 112 3,-1.7 -1,-0.1 1,-0.1 6,-0.1 -0.710 6.1-131.5-120.7 171.5 -11.2 6.9 13.2 7 7 A L S S+ 0 0 163 -2,-0.2 3,-0.2 1,-0.1 -1,-0.1 0.794 115.2 44.2 -88.4 -35.0 -10.5 10.6 13.5 8 8 A L S S+ 0 0 150 1,-0.3 2,-0.5 2,-0.1 -1,-0.1 0.654 119.0 48.8 -80.0 -17.4 -6.7 10.0 13.4 9 9 A N S S- 0 0 21 1,-0.2 -3,-1.7 24,-0.1 -1,-0.3 -0.834 71.8-170.9-124.9 91.7 -7.4 7.6 10.5 10 10 A D S S+ 0 0 101 -2,-0.5 2,-0.5 -3,-0.2 -1,-0.2 0.866 81.1 30.8 -49.9 -46.2 -9.7 9.4 8.1 11 11 A V S S- 0 0 22 -3,-0.1 21,-2.2 -6,-0.1 22,-1.0 -0.950 78.1-158.3-121.5 112.0 -10.3 6.2 6.1 12 12 A K E -A 31 0A 81 -2,-0.5 19,-0.3 19,-0.3 56,-0.1 -0.663 15.0-134.9 -87.9 145.5 -10.2 2.9 7.9 13 13 A W E - 0 0 9 17,-2.1 -1,-0.1 -2,-0.3 55,-0.1 -0.189 32.2 -93.8 -90.7-176.9 -9.5 -0.2 6.0 14 14 A E E - 0 0 104 1,-0.1 16,-0.1 -2,-0.1 17,-0.1 0.789 59.0-131.6 -66.6 -28.7 -11.2 -3.7 6.1 15 15 A K E S+ 0 0 108 14,-0.1 2,-2.8 53,-0.1 -1,-0.1 -0.515 84.3 89.3 111.6 -55.9 -8.4 -4.6 8.6 16 16 A P E + 0 0 74 0, 0.0 2,-0.6 0, 0.0 14,-0.1 -0.226 54.4 131.3 -73.5 57.5 -7.0 -8.0 7.4 17 17 A V E -A 29 0A 9 -2,-2.8 12,-2.2 12,-0.7 2,-0.5 -0.921 36.5-171.0-112.7 107.3 -4.4 -6.3 5.1 18 18 A T E -A 28 0A 27 -2,-0.6 2,-0.6 10,-0.2 10,-0.2 -0.867 11.8-163.3-107.4 122.9 -0.9 -7.8 5.7 19 19 A I E -A 27 0A 9 8,-2.6 8,-3.2 -2,-0.5 2,-0.9 -0.917 17.7-141.0-101.0 119.5 2.3 -6.5 4.2 20 20 A S E -A 26 0A 31 -2,-0.6 2,-0.5 64,-0.6 -2,-0.0 -0.712 16.5-157.5 -83.8 106.0 5.1 -9.0 4.3 21 21 A L > - 0 0 26 -2,-0.9 3,-0.7 4,-0.6 63,-0.0 -0.753 9.5-153.8 -87.8 126.0 8.3 -7.0 5.2 22 22 A Q T 3 S+ 0 0 144 -2,-0.5 -1,-0.2 1,-0.3 62,-0.0 0.937 99.5 31.3 -62.1 -48.2 11.5 -8.7 4.1 23 23 A N T 3 S+ 0 0 171 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.189 135.5 24.5 -97.0 16.0 13.6 -7.0 6.8 24 24 A G S < S- 0 0 52 -3,-0.7 -4,-0.1 3,-0.0 -2,-0.0 -0.040 94.6 -78.8-139.1-116.1 10.7 -6.9 9.2 25 25 A A - 0 0 46 -6,-0.1 2,-0.7 -2,-0.1 -4,-0.6 -0.964 55.2 -63.4-158.3 162.8 7.5 -8.8 9.7 26 26 A P E -A 20 0A 82 0, 0.0 2,-0.7 0, 0.0 -6,-0.3 -0.437 55.7-159.5 -54.2 101.9 3.9 -9.3 8.3 27 27 A R E -A 19 0A 128 -8,-3.2 -8,-2.6 -2,-0.7 2,-0.6 -0.821 3.4-157.7 -96.9 112.3 2.5 -5.8 9.2 28 28 A I E -A 18 0A 94 -2,-0.7 -10,-0.2 -10,-0.2 2,-0.2 -0.806 10.3-152.1 -92.7 119.7 -1.3 -5.7 9.3 29 29 A F E -A 17 0A 11 -12,-2.2 -12,-0.7 -2,-0.6 -14,-0.1 -0.598 15.8-166.9 -91.6 153.2 -2.7 -2.3 8.8 30 30 A N E S+ 0 0 58 1,-0.2 -17,-2.1 -2,-0.2 2,-0.3 0.641 73.3 32.8-108.1 -25.0 -6.0 -1.0 10.2 31 31 A G E > -A 12 0A 0 -19,-0.3 4,-1.3 1,-0.1 3,-0.4 -0.952 68.2-129.6-137.1 155.2 -6.4 2.1 8.1 32 32 A V H > S+ 0 0 3 -21,-2.2 4,-2.8 -2,-0.3 5,-0.2 0.789 108.6 64.9 -71.6 -26.3 -5.5 3.4 4.7 33 33 A Y H > S+ 0 0 102 -22,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.871 101.0 50.5 -63.9 -36.0 -4.0 6.5 6.3 34 34 A E H > S+ 0 0 71 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.931 111.6 47.4 -65.3 -46.0 -1.3 4.2 7.9 35 35 A A H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.904 110.2 51.9 -63.5 -43.7 -0.6 2.6 4.5 36 36 A F H X S+ 0 0 44 -4,-2.8 4,-0.5 2,-0.2 -1,-0.2 0.903 114.0 44.0 -60.0 -42.7 -0.3 5.9 2.7 37 37 A D H >X S+ 0 0 65 -4,-1.9 4,-1.6 -5,-0.2 3,-1.2 0.914 111.7 53.7 -67.8 -42.7 2.1 7.1 5.4 38 38 A F H 3X S+ 0 0 21 -4,-2.9 4,-1.0 1,-0.3 -2,-0.2 0.873 99.8 62.4 -58.2 -39.5 4.0 3.8 5.3 39 39 A L H 3< S+ 0 0 2 -4,-2.5 4,-0.3 1,-0.2 -1,-0.3 0.731 110.6 39.5 -59.6 -24.7 4.4 4.2 1.5 40 40 A Q H << S+ 0 0 103 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.731 116.3 50.2 -97.8 -26.7 6.4 7.3 2.1 41 41 A H H < S- 0 0 115 -4,-1.6 2,-0.2 1,-0.1 -2,-0.1 0.988 128.4 -11.9 -76.6 -76.8 8.4 6.2 5.1 42 42 A E < + 0 0 161 -4,-1.0 -1,-0.1 0, 0.0 -2,-0.1 -0.571 67.8 158.2-136.0 68.5 10.0 2.8 4.4 43 43 A W - 0 0 15 -4,-0.3 3,-0.3 -2,-0.2 -4,-0.0 -0.868 34.3-144.5 -90.1 117.5 8.7 1.1 1.3 44 44 A P S S+ 0 0 69 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.933 82.9 18.1 -49.9 -71.6 11.4 -1.4 0.3 45 45 A A - 0 0 44 1,-0.2 39,-0.1 37,-0.1 38,-0.0 -0.902 69.1-172.7-110.2 106.4 11.3 -1.3 -3.5 46 46 A R + 0 0 161 -2,-0.7 2,-0.6 -3,-0.3 -1,-0.2 0.993 15.5 177.8 -62.2 -79.0 9.5 1.8 -4.8 47 47 A G - 0 0 54 3,-0.1 2,-0.2 4,-0.1 -1,-0.2 -0.865 32.6 -72.5 124.7 -98.5 9.3 1.1 -8.5 48 48 A D S >> S- 0 0 88 -2,-0.6 4,-1.5 0, 0.0 3,-1.0 -0.612 88.5 -15.6-166.9-140.0 7.5 3.6 -10.8 49 49 A R H 3> S+ 0 0 180 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.824 126.6 62.8 -57.2 -35.2 4.0 4.7 -11.7 50 50 A A H 3> S+ 0 0 16 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.872 102.8 50.2 -59.6 -36.7 2.5 1.7 -9.9 51 51 A H H <> S+ 0 0 25 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.917 111.5 47.6 -64.8 -43.6 4.1 3.0 -6.7 52 52 A E H X S+ 0 0 128 -4,-1.5 4,-3.1 1,-0.2 -2,-0.2 0.876 106.8 57.4 -65.5 -37.3 2.5 6.4 -7.4 53 53 A Q H X S+ 0 0 108 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.873 102.8 55.5 -59.9 -38.1 -0.8 4.7 -8.1 54 54 A A H X S+ 0 0 3 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.953 113.0 39.6 -58.9 -51.5 -0.7 3.2 -4.6 55 55 A L H X S+ 0 0 35 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.891 114.6 56.0 -63.9 -39.8 -0.3 6.7 -3.0 56 56 A R H X S+ 0 0 161 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.935 109.6 43.1 -58.3 -51.1 -2.8 8.1 -5.5 57 57 A L H X S+ 0 0 58 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.843 111.3 54.8 -68.9 -33.9 -5.6 5.7 -4.6 58 58 A C H X S+ 0 0 2 -4,-1.8 4,-1.1 -5,-0.3 -1,-0.2 0.878 107.9 51.0 -64.4 -36.0 -4.9 6.0 -0.9 59 59 A R H X S+ 0 0 120 -4,-2.1 4,-0.5 1,-0.2 3,-0.3 0.896 110.5 48.0 -65.4 -41.2 -5.3 9.8 -1.4 60 60 A A H >X>S+ 0 0 21 -4,-1.9 5,-1.6 1,-0.2 3,-0.8 0.816 104.4 60.7 -69.2 -31.0 -8.7 9.1 -3.1 61 61 A S H ><5S+ 0 0 2 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.832 95.1 62.7 -64.3 -31.0 -9.6 6.8 -0.3 62 62 A L H 3<5S+ 0 0 63 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.770 102.2 50.9 -64.2 -26.3 -9.3 9.8 2.0 63 63 A M H <<5S- 0 0 133 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.669 118.1-115.2 -83.2 -18.3 -12.2 11.4 0.0 64 64 A G T <<5S+ 0 0 58 -3,-0.7 -3,-0.2 -4,-0.7 -2,-0.1 0.796 84.6 117.1 85.7 31.4 -14.3 8.2 0.5 65 65 A D < + 0 0 133 -5,-1.6 2,-0.4 1,-0.1 -4,-0.2 0.285 64.8 63.3-110.2 6.4 -14.3 7.4 -3.2 66 66 A V S S- 0 0 29 -6,-0.3 2,-0.2 -5,-0.2 -2,-0.1 -0.996 73.3-140.7-133.1 136.7 -12.5 4.1 -2.8 67 67 A A > - 0 0 54 -2,-0.4 4,-2.4 1,-0.1 5,-0.3 -0.480 28.8-103.3 -92.8 169.1 -13.6 1.0 -0.9 68 68 A G H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.940 117.6 37.0 -58.1 -59.1 -11.5 -1.3 1.2 69 69 A E H > S+ 0 0 90 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.790 113.9 60.1 -69.0 -26.8 -11.0 -4.3 -1.1 70 70 A I H > S+ 0 0 108 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.976 112.7 35.4 -62.8 -56.0 -10.8 -2.0 -4.1 71 71 A A H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.875 116.3 58.6 -64.0 -36.9 -7.8 -0.2 -2.8 72 72 A R H X S+ 0 0 71 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.932 105.6 46.7 -57.8 -50.5 -6.5 -3.4 -1.3 73 73 A T H X S+ 0 0 99 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.908 115.7 45.6 -61.3 -42.2 -6.5 -5.2 -4.6 74 74 A A H X S+ 0 0 33 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.833 108.0 57.6 -71.3 -31.9 -4.7 -2.3 -6.3 75 75 A F H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.870 105.0 51.7 -64.9 -36.5 -2.3 -2.1 -3.4 76 76 A V H X S+ 0 0 78 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.872 106.2 54.5 -66.1 -37.1 -1.3 -5.7 -4.0 77 77 A A H X S+ 0 0 56 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.869 110.4 46.0 -64.3 -37.0 -0.7 -4.7 -7.7 78 78 A A H X S+ 0 0 6 -4,-1.8 4,-1.5 2,-0.2 3,-0.3 0.896 111.3 51.1 -70.6 -41.2 1.7 -2.0 -6.5 79 79 A S H X>S+ 0 0 4 -4,-2.4 5,-2.4 1,-0.2 4,-0.7 0.776 102.1 64.2 -65.3 -26.0 3.3 -4.5 -4.1 80 80 A R H <5S+ 0 0 176 -4,-1.6 3,-0.5 2,-0.2 -1,-0.2 0.906 100.9 48.7 -62.9 -42.6 3.6 -6.8 -7.1 81 81 A Q H <5S+ 0 0 71 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.894 113.0 47.5 -64.0 -38.9 6.0 -4.3 -8.7 82 82 A A H <5S- 0 0 9 -4,-1.5 -1,-0.2 -36,-0.1 -2,-0.2 0.615 106.5-133.1 -75.1 -13.4 7.9 -4.1 -5.5 83 83 A H T <5S+ 0 0 154 -4,-0.7 -3,-0.2 -3,-0.5 -2,-0.1 0.764 71.6 125.8 62.3 28.2 7.9 -7.9 -5.4 84 84 A C < + 0 0 6 -5,-2.4 -64,-0.6 -39,-0.1 -4,-0.2 -0.035 34.8 157.9-105.3 29.1 6.9 -7.5 -1.8 85 85 A L - 0 0 79 -6,-0.3 2,-0.4 -5,-0.1 -66,-0.1 -0.217 47.8-109.5 -61.0 139.5 3.8 -9.7 -2.2 86 86 A M - 0 0 86 -68,-0.2 2,-0.6 1,-0.1 -1,-0.1 -0.563 29.9-123.0 -69.2 124.6 2.3 -11.4 0.8 87 87 A E - 0 0 158 -2,-0.4 -1,-0.1 1,-0.1 -3,-0.0 -0.623 36.6-114.6 -71.3 116.1 2.8 -15.1 0.8 88 88 A D - 0 0 154 -2,-0.6 2,-0.2 1,-0.1 -1,-0.1 -0.196 33.4-158.0 -59.5 140.6 -0.7 -16.5 1.0 89 89 A K - 0 0 163 -3,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.717 10.9-127.0-115.7 166.8 -1.6 -18.5 4.1 90 90 A A - 0 0 73 -2,-0.2 2,-0.4 0, 0.0 0, 0.0 -0.958 17.7-132.2-118.5 132.2 -4.3 -21.2 4.9 91 91 A E S S+ 0 0 193 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.693 89.7 5.6 -84.2 132.8 -6.7 -20.9 7.8 92 92 A A S S+ 0 0 82 -2,-0.4 -1,-0.2 1,-0.1 3,-0.0 0.998 74.3 172.7 55.8 72.0 -6.9 -24.1 9.9 93 93 A P + 0 0 97 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.564 57.0 74.8 -87.2 -9.9 -4.1 -26.0 8.0 94 94 A N + 0 0 155 2,-0.0 2,-0.2 0, 0.0 -2,-0.0 -0.850 63.0 153.1-110.7 98.7 -4.1 -29.0 10.5 95 95 A T - 0 0 127 -2,-0.8 2,-0.3 -3,-0.0 -3,-0.0 -0.457 35.7-120.4-112.5-175.5 -7.1 -31.2 9.9 96 96 A I - 0 0 128 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.934 10.5-134.9-130.3 153.5 -7.9 -34.9 10.4 97 97 A A S S+ 0 0 110 -2,-0.3 2,-1.0 1,-0.1 3,-0.2 0.872 92.2 71.3 -76.4 -38.6 -8.9 -37.6 8.0 98 98 A S + 0 0 93 1,-0.2 -1,-0.1 2,-0.0 -2,-0.0 -0.695 67.4 104.0 -82.2 102.7 -11.7 -39.0 10.1 99 99 A G 0 0 64 -2,-1.0 -1,-0.2 0, 0.0 -2,-0.1 0.372 360.0 360.0-138.4 -79.1 -14.5 -36.4 10.1 100 100 A S 0 0 204 -3,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.790 360.0 360.0-131.7 360.0 -17.6 -36.9 8.0