==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-AUG-06 2DW6 . COMPND 2 MOLECULE: BLL6730 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BRADYRHIZOBIUM JAPONICUM; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,W.S.YEW,B.M.WOOD,J.A.GERLT,S.C.ALMO . 1552 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1089 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 114 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 12 0.8 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 . 89 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 192 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 470 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.3 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 4 8 5 3 12 4 1 3 4 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 12 7 1 4 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 . 14 1 4 0 0 1 3 0 4 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 11 0 0 0 0 4 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 2 A S 0 0 138 0, 0.0 2,-0.4 0, 0.0 84,-0.1 0.000 360.0 360.0 360.0 121.5 63.6 111.2 263.5 2 3 A V + 0 0 17 82,-0.1 2,-0.3 84,-0.1 77,-0.2 -0.950 360.0 146.8-133.3 113.4 62.3 108.2 261.4 3 4 A R - 0 0 94 -2,-0.4 35,-1.7 84,-0.0 2,-0.8 -0.999 49.4-116.3-150.5 151.3 64.5 105.2 260.8 4 5 A I E +A 37 0A 7 -2,-0.3 33,-0.3 33,-0.2 3,-0.1 -0.763 30.6 179.8 -84.7 113.3 64.4 101.4 260.2 5 6 A V E + 0 0 72 31,-2.3 2,-0.3 -2,-0.8 32,-0.2 0.689 61.2 0.3 -89.6 -22.5 66.3 100.0 263.2 6 7 A D E -A 36 0A 52 30,-1.5 30,-2.6 2,-0.0 2,-0.4 -0.987 47.4-152.4-165.6 154.9 66.0 96.4 262.4 7 8 A V E -A 35 0A 16 -2,-0.3 2,-0.3 28,-0.2 28,-0.2 -0.951 25.1-175.4-133.5 108.8 64.7 93.8 259.9 8 9 A R E -A 34 0A 124 26,-2.1 26,-2.6 -2,-0.4 2,-0.3 -0.808 2.5-173.6-108.9 151.8 63.9 90.4 261.3 9 10 A E E -A 33 0A 30 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.983 9.1-177.5-142.8 150.2 62.8 87.3 259.6 10 11 A I E -A 32 0A 64 22,-1.7 22,-2.7 -2,-0.3 2,-0.5 -0.952 25.9-128.8-150.4 128.2 61.6 83.8 260.5 11 12 A T E -A 31 0A 57 -2,-0.3 20,-0.2 20,-0.2 -2,-0.0 -0.666 27.0-165.5 -81.2 125.9 60.7 81.0 258.2 12 13 A K E -A 30 0A 31 18,-3.5 18,-2.3 -2,-0.5 2,-0.3 -0.869 18.1-120.4-112.8 145.5 57.4 79.4 259.0 13 14 A P E +A 29 0A 93 0, 0.0 16,-0.2 0, 0.0 15,-0.1 -0.663 32.6 165.7 -87.1 138.1 56.0 76.1 257.7 14 15 A I + 0 0 16 14,-2.3 2,-0.2 -2,-0.3 15,-0.2 -0.237 36.4 140.3-139.8 40.3 52.8 76.0 255.6 15 16 A S + 0 0 59 13,-0.2 11,-0.2 11,-0.1 12,-0.1 -0.520 13.2 141.7 -92.8 156.4 53.3 72.5 254.4 16 17 A S - 0 0 40 9,-1.7 9,-0.3 -2,-0.2 12,-0.2 -0.931 60.6 -91.4-176.4 165.7 50.8 69.6 253.8 17 18 A P S S+ 0 0 55 0, 0.0 9,-0.1 0, 0.0 -2,-0.0 0.305 73.9 133.1 -78.3 14.0 50.3 66.8 251.3 18 19 A I - 0 0 12 7,-0.1 7,-2.4 139,-0.1 2,-0.3 -0.318 38.5-165.1 -60.8 149.4 48.0 68.8 249.1 19 20 A R B -CD 24 156B 103 137,-2.3 137,-2.8 5,-0.2 5,-0.3 -0.992 17.0-172.2-141.7 145.7 48.9 68.5 245.4 20 21 A N - 0 0 2 3,-3.2 165,-0.1 -2,-0.3 193,-0.1 -0.653 52.5 -79.3-122.0-176.4 48.2 70.3 242.2 21 22 A A S S+ 0 0 17 163,-0.5 193,-0.1 191,-0.3 3,-0.1 0.760 127.5 26.1 -57.2 -26.2 49.1 69.4 238.6 22 23 A Y S S+ 0 0 58 1,-0.2 466,-0.3 466,-0.0 2,-0.3 0.802 124.1 14.0-107.3 -37.2 52.7 70.7 239.0 23 24 A I - 0 0 8 465,-0.1 -3,-3.2 464,-0.1 2,-0.3 -0.879 51.9-138.9-140.3 164.6 53.7 70.6 242.6 24 25 A D B -C 19 0B 45 -2,-0.3 3,-0.4 -5,-0.3 -5,-0.2 -0.921 23.3-132.2-121.3 152.2 52.8 69.1 246.1 25 26 A F > + 0 0 1 -7,-2.4 -9,-1.7 -2,-0.3 3,-1.0 0.031 63.6 126.3 -96.2 28.0 53.2 71.3 249.2 26 27 A T T 3 S+ 0 0 58 1,-0.3 -1,-0.2 -11,-0.2 -11,-0.1 0.762 87.1 20.9 -53.8 -34.1 55.1 68.8 251.3 27 28 A K T 3 S+ 0 0 113 -3,-0.4 -1,-0.3 -11,-0.1 -12,-0.1 0.158 87.9 148.6-123.7 17.0 57.9 71.2 252.1 28 29 A M < + 0 0 0 -3,-1.0 -14,-2.3 -12,-0.2 2,-0.3 -0.266 17.7 169.2 -60.6 135.6 56.2 74.5 251.5 29 30 A T E -A 13 0A 36 -16,-0.2 28,-0.4 -15,-0.2 2,-0.3 -0.827 18.2-155.5-136.1 174.0 57.4 77.4 253.7 30 31 A T E -A 12 0A 1 -18,-2.3 -18,-3.5 -2,-0.3 2,-0.5 -0.984 20.0-119.3-153.5 149.6 57.0 81.2 253.9 31 32 A S E -A 11 0A 0 -2,-0.3 21,-0.8 -20,-0.2 2,-0.6 -0.814 17.2-156.4 -95.8 126.9 59.1 84.0 255.4 32 33 A L E -AB 10 51A 0 -22,-2.7 -22,-1.7 -2,-0.5 2,-0.4 -0.905 21.1-167.2-100.8 122.1 57.5 86.2 258.1 33 34 A V E -AB 9 50A 0 17,-3.5 17,-1.8 -2,-0.6 2,-0.4 -0.879 15.5-165.5-118.0 146.6 59.2 89.6 258.1 34 35 A A E -AB 8 49A 0 -26,-2.6 -26,-2.1 -2,-0.4 2,-0.7 -0.994 6.7-160.5-130.2 128.4 59.2 92.5 260.5 35 36 A V E -AB 7 48A 0 13,-2.7 13,-2.4 -2,-0.4 2,-0.5 -0.919 18.7-158.1-108.6 104.6 60.5 96.0 259.7 36 37 A V E -AB 6 47A 14 -30,-2.6 -31,-2.3 -2,-0.7 -30,-1.5 -0.731 8.3-167.7 -89.6 126.6 61.2 97.7 263.1 37 38 A T E -A 4 0A 0 9,-1.7 -33,-0.2 -2,-0.5 -35,-0.1 -0.635 30.9-126.2-107.9 167.1 61.3 101.5 263.2 38 39 A D E S+ 0 0 44 -35,-1.7 2,-0.6 -2,-0.2 -34,-0.1 0.198 77.3 113.4 -93.6 12.1 62.4 103.9 265.9 39 40 A V E + 0 0 12 7,-0.3 7,-2.5 -36,-0.2 2,-0.5 -0.773 43.7 179.3 -89.2 121.2 59.1 105.6 265.8 40 41 A V E - B 0 45A 81 -2,-0.6 2,-0.5 5,-0.3 5,-0.3 -0.977 10.0-175.8-129.2 121.1 57.1 105.1 269.1 41 42 A R S S- 0 0 130 3,-2.4 -2,-0.0 -2,-0.5 0, 0.0 -0.953 77.7 -6.9-118.2 112.1 53.6 106.5 269.7 42 43 A E S S- 0 0 189 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.896 128.8 -56.8 73.2 43.4 52.2 105.9 273.2 43 44 A G S S+ 0 0 80 -3,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.780 120.5 108.8 59.5 26.1 54.9 103.6 274.3 44 45 A K - 0 0 108 2,-0.0 -3,-2.4 0, 0.0 2,-0.2 -0.959 61.2-146.4-134.8 111.4 54.1 101.4 271.3 45 46 A R E -B 40 0A 93 -2,-0.4 2,-0.4 343,-0.4 -5,-0.3 -0.540 21.4-112.4 -82.2 147.6 56.6 101.4 268.4 46 47 A V E + 0 0 20 -7,-2.5 -9,-1.7 -2,-0.2 2,-0.4 -0.651 36.9 179.2 -80.6 127.5 55.5 101.0 264.8 47 48 A V E -B 36 0A 6 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.997 16.7-146.7-130.2 124.9 56.5 97.7 263.3 48 49 A G E -B 35 0A 0 -13,-2.4 -13,-2.7 -2,-0.4 2,-0.3 -0.685 17.7-160.2 -90.8 147.9 55.6 96.8 259.7 49 50 A Y E +B 34 0A 3 -2,-0.3 2,-0.3 68,-0.2 -15,-0.2 -0.911 16.2 160.0-128.6 157.0 54.9 93.1 258.9 50 51 A G E -B 33 0A 0 -17,-1.8 -17,-3.5 -2,-0.3 2,-0.3 -0.983 12.3-173.1-165.6 161.4 54.8 91.0 255.8 51 52 A F E -B 32 0A 6 -2,-0.3 2,-0.2 -19,-0.2 -19,-0.2 -0.966 28.9-109.9-154.8 157.2 55.0 87.4 254.5 52 53 A N - 0 0 3 -21,-0.8 242,-0.1 -2,-0.3 3,-0.1 -0.627 36.7-100.6 -95.2 157.9 55.2 85.8 251.1 53 54 A S > - 0 0 4 -2,-0.2 3,-0.8 1,-0.1 4,-0.2 -0.198 46.2 -84.6 -69.4 163.1 52.5 83.8 249.3 54 55 A N T 3 S+ 0 0 7 268,-0.3 -1,-0.1 1,-0.2 -24,-0.1 -0.221 102.0 42.0 -63.4 155.3 52.3 80.0 249.1 55 56 A G T 3 S+ 0 0 1 -26,-0.2 435,-0.5 -3,-0.1 -1,-0.2 -0.074 98.0 64.6 102.7 -36.2 54.2 78.2 246.4 56 57 A R S < S- 0 0 3 -3,-0.8 -2,-0.1 1,-0.1 54,-0.1 0.432 95.0-127.1-104.2 1.0 57.6 79.9 246.1 57 58 A Y - 0 0 8 -28,-0.4 -26,-0.2 -4,-0.2 -27,-0.2 0.240 35.3 -56.0 74.0 161.6 59.0 79.0 249.5 58 59 A G - 0 0 7 -28,-0.2 3,-0.1 -46,-0.1 53,-0.1 -0.275 37.1-154.1 -69.2 159.5 60.5 81.2 252.2 59 60 A Q > + 0 0 6 1,-0.1 4,-2.5 51,-0.1 5,-0.2 -0.169 40.5 140.3-129.5 40.2 63.5 83.5 251.5 60 61 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.890 73.6 52.1 -50.2 -46.7 65.2 83.9 254.8 61 62 A G H > S+ 0 0 6 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.939 112.0 43.1 -57.6 -52.8 68.7 83.6 253.3 62 63 A L H >>S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 5,-1.7 0.908 113.0 53.2 -61.0 -43.9 68.2 86.3 250.7 63 64 A I H <>S+ 0 0 1 -4,-2.5 5,-3.0 3,-0.2 6,-0.4 0.916 119.3 34.4 -57.8 -45.4 66.4 88.6 253.1 64 65 A R H <>S+ 0 0 126 -4,-2.3 5,-0.6 -5,-0.2 -2,-0.2 0.963 122.6 42.5 -74.6 -55.4 69.3 88.4 255.6 65 66 A E H <5S+ 0 0 103 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.742 132.5 6.9 -67.7 -27.1 72.3 88.1 253.3 66 67 A R T X5S+ 0 0 18 -4,-2.2 4,-0.7 -5,-0.3 -3,-0.2 0.775 125.7 33.0-125.9 -46.7 71.4 90.7 250.7 67 68 A F H >< S+ 0 0 4 -4,-1.6 3,-0.7 1,-0.2 -2,-0.2 0.942 114.2 45.3 -64.2 -49.0 68.3 98.9 254.1 72 73 A L H 3< S+ 0 0 54 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.769 114.0 50.1 -67.1 -27.1 70.0 98.9 257.6 73 74 A E H 3< S+ 0 0 133 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.592 91.1 102.1 -87.4 -12.7 73.3 100.2 256.1 74 75 A A S << S- 0 0 24 -4,-0.8 5,-0.1 -3,-0.7 -3,-0.0 -0.370 89.5 -95.4 -73.5 151.2 71.6 103.0 254.2 75 76 A D > - 0 0 70 1,-0.2 3,-2.2 -2,-0.1 4,-0.2 -0.534 32.3-142.2 -65.2 115.6 71.7 106.6 255.4 76 77 A P G > S+ 0 0 35 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.839 98.5 60.5 -49.5 -37.6 68.3 106.9 257.3 77 78 A K G > S+ 0 0 173 1,-0.3 3,-0.6 2,-0.2 -2,-0.1 0.709 97.9 58.7 -66.4 -19.9 67.9 110.5 255.9 78 79 A K G < S+ 0 0 136 -3,-2.2 -1,-0.3 1,-0.2 -3,-0.1 0.350 98.1 59.5 -92.3 8.2 68.0 109.2 252.4 79 80 A L G < S+ 0 0 9 -3,-1.6 9,-3.2 -4,-0.2 13,-0.2 0.291 85.8 100.8-114.6 6.9 64.9 107.0 252.9 80 81 A L B < S-E 87 0C 24 -3,-0.6 7,-0.2 7,-0.3 -77,-0.0 -0.523 70.8-112.2 -94.3 160.5 62.5 109.7 253.9 81 82 A N > - 0 0 43 5,-2.3 3,-0.9 -2,-0.2 -1,-0.1 -0.072 48.9 -78.0 -77.2-175.7 59.8 111.4 251.9 82 83 A E T 3 S+ 0 0 196 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.906 133.3 42.0 -48.9 -52.9 59.7 115.1 250.9 83 84 A A T 3 S- 0 0 74 1,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.610 103.6-130.6 -74.5 -13.5 58.7 116.3 254.3 84 85 A G S < S+ 0 0 33 -3,-0.9 -2,-0.1 2,-0.2 -82,-0.1 0.742 79.1 111.1 69.0 22.2 61.0 113.9 256.1 85 86 A D S S+ 0 0 98 1,-0.1 2,-0.3 -84,-0.1 -1,-0.1 0.301 78.9 18.2-109.0 6.8 58.2 112.8 258.4 86 87 A N S S- 0 0 11 -84,-0.1 -5,-2.3 -5,-0.1 2,-0.2 -0.978 87.9 -82.9-164.8 167.9 57.9 109.3 257.0 87 88 A L B -E 80 0C 4 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.547 34.2-134.2 -79.8 145.9 59.6 106.6 255.0 88 89 A D >> - 0 0 34 -9,-3.2 4,-2.1 -2,-0.2 3,-0.9 -0.903 11.7-153.4-101.4 108.1 59.4 106.8 251.2 89 90 A P H 3> S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.867 93.3 51.5 -48.0 -45.2 58.6 103.2 250.0 90 91 A D H 3> S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.812 108.3 50.7 -66.8 -30.4 60.3 103.7 246.7 91 92 A K H <> S+ 0 0 84 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.880 111.9 47.2 -73.9 -36.9 63.5 105.0 248.2 92 93 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 -13,-0.2 -2,-0.2 0.917 112.8 50.9 -67.5 -40.1 63.6 102.0 250.5 93 94 A W H X S+ 0 0 38 -4,-2.6 4,-1.2 -5,-0.3 -2,-0.2 0.953 111.4 46.3 -60.3 -51.3 62.9 99.8 247.5 94 95 A A H < S+ 0 0 53 -4,-2.6 3,-0.4 1,-0.2 4,-0.4 0.895 109.5 56.4 -59.0 -41.5 65.7 101.4 245.5 95 96 A A H >< S+ 0 0 16 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.889 110.3 42.5 -60.0 -41.7 68.0 101.1 248.4 96 97 A M H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.643 110.4 59.3 -83.0 -9.5 67.6 97.3 248.7 97 98 A M T >< S+ 0 0 32 -4,-1.2 3,-1.0 -3,-0.4 -1,-0.2 0.378 75.2 122.5 -97.4 4.7 67.7 96.9 244.9 98 99 A I T < S+ 0 0 85 -3,-0.8 3,-0.1 -4,-0.4 314,-0.1 -0.357 76.1 16.6 -66.5 148.3 71.2 98.4 244.5 99 100 A N T 3 S+ 0 0 20 312,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.781 90.1 133.2 60.0 31.3 73.8 96.1 242.8 100 101 A E < - 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