==== 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 PLANT PROTEIN 28-SEP-98 1BWU . COMPND 2 MOLECULE: PROTEIN (AGGLUTININ); . SOURCE 2 ORGANISM_SCIENTIFIC: ALLIUM SATIVUM; . AUTHOR N.R.CHANDRA,G.RAMACHANDRAIAH,K.BACHHAWAT,T.K.DAM,A.SUROLIA,M . 430 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20447.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 302 70.2 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 . 179 41.6 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 . 16 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 . 4 0.9 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 . 71 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 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 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 3 14 12 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 10 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 1 A R 0 0 137 0, 0.0 16,-2.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 176.9 84.8 8.8 15.5 2 2 A N + 0 0 22 1,-0.4 87,-1.9 14,-0.2 2,-0.3 0.266 360.0 67.2-171.1 -5.1 83.2 6.4 17.9 3 3 A I E -A 88 0A 19 85,-0.2 2,-0.4 83,-0.0 -1,-0.4 -0.952 52.3-162.9-132.4 146.6 83.2 3.0 16.2 4 4 A L E -A 87 0A 0 83,-1.6 83,-1.7 -2,-0.3 3,-0.1 -0.990 18.4-162.1-130.3 117.5 85.9 0.6 15.1 5 5 A R E > -A 86 0A 45 -2,-0.4 3,-1.8 81,-0.2 52,-0.3 -0.285 46.4 -42.1 -91.3-179.8 84.9 -2.0 12.5 6 6 A N T 3 S- 0 0 42 79,-0.8 -1,-0.2 1,-0.3 52,-0.2 -0.229 129.5 -2.1 -49.2 114.6 86.5 -5.3 11.5 7 7 A D T 3 S+ 0 0 95 50,-2.1 2,-0.3 1,-0.3 -1,-0.3 0.800 99.9 126.0 70.2 36.5 90.2 -4.7 11.2 8 8 A E < + 0 0 50 -3,-1.8 49,-2.2 49,-0.4 2,-0.3 -0.822 33.9 166.4-113.9 158.4 90.3 -1.0 12.1 9 9 A G E -F 56 0B 16 -2,-0.3 2,-0.4 47,-0.2 47,-0.2 -0.945 35.9 -95.3-162.3-179.2 92.4 0.5 14.9 10 10 A L E -F 55 0B 0 45,-1.9 45,-2.3 -2,-0.3 2,-0.2 -0.906 29.5-157.4-109.3 134.5 94.0 3.2 16.9 11 11 A Y E > -F 54 0B 140 -2,-0.4 3,-3.1 43,-0.2 2,-1.0 -0.612 54.9 -55.8-100.5 169.7 97.7 4.2 16.3 12 12 A G T 3 S+ 0 0 25 41,-0.6 14,-0.2 1,-0.3 15,-0.1 -0.213 134.1 12.1 -50.9 90.3 99.8 6.0 18.9 13 13 A G T 3 S+ 0 0 34 12,-3.1 -1,-0.3 -2,-1.0 13,-0.1 0.200 96.7 124.1 126.6 -14.2 97.6 9.0 19.7 14 14 A Q < + 0 0 81 -3,-3.1 11,-2.1 11,-0.3 -1,-0.4 -0.372 35.0 176.2 -75.7 159.6 94.3 8.1 18.0 15 15 A S E -I 24 0C 27 9,-0.2 2,-0.4 -2,-0.1 9,-0.2 -0.981 32.3-124.2-161.3 164.4 91.0 7.9 19.7 16 16 A L E -I 23 0C 0 7,-2.0 7,-1.9 -2,-0.3 2,-0.3 -0.915 34.9-168.1-109.4 144.1 87.2 7.4 19.8 17 17 A D E +I 22 0C 72 -16,-2.2 5,-0.2 -2,-0.4 2,-0.1 -0.965 26.8 157.1-140.2 152.1 85.0 10.2 21.1 18 18 A V S S- 0 0 24 1,-0.9 75,-0.1 3,-0.9 -16,-0.0 -0.560 73.9 -42.6-171.8 95.2 81.4 10.8 22.2 19 19 A N S S- 0 0 121 1,-0.2 2,-2.9 -2,-0.1 -1,-0.9 -0.202 122.1 -18.5 65.5-170.4 80.7 13.7 24.7 20 20 A P S S+ 0 0 64 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.409 113.6 105.4 -68.1 74.4 83.3 13.9 27.5 21 21 A Y - 0 0 37 -2,-2.9 -3,-0.9 14,-0.2 2,-0.3 -0.958 46.9-176.0-147.1 143.6 84.4 10.3 27.0 22 22 A H E -IJ 17 34C 45 12,-0.7 12,-2.7 -2,-0.3 2,-0.7 -0.854 17.2-170.6-156.6 115.3 87.7 9.3 25.4 23 23 A F E +IJ 16 33C 0 -7,-1.9 -7,-2.0 -2,-0.3 2,-0.3 -0.927 29.9 175.5-104.3 115.4 89.2 6.0 24.4 24 24 A I E -IJ 15 32C 23 8,-2.5 8,-2.0 -2,-0.7 2,-0.8 -0.941 38.3-144.8-131.9 148.3 92.8 6.6 23.5 25 25 A M E - J 0 31C 0 -11,-2.1 -12,-3.1 -2,-0.3 -11,-0.3 -0.910 38.6-160.7-104.6 96.7 95.9 4.7 22.4 26 26 A Q > - 0 0 21 4,-1.2 3,-1.6 -2,-0.8 27,-0.3 -0.238 32.5-108.0 -78.6 171.0 98.6 6.8 24.1 27 27 A E T 3 S+ 0 0 86 1,-0.3 22,-0.2 -15,-0.1 -1,-0.1 0.442 117.4 68.5 -75.7 -3.3 102.4 7.0 23.4 28 28 A D T 3 S- 0 0 55 2,-0.2 19,-2.9 20,-0.1 -1,-0.3 0.410 112.7-119.7 -90.2 -7.7 102.8 5.2 26.7 29 29 A a S < S+ 0 0 0 -3,-1.6 2,-0.6 1,-0.2 -2,-0.1 0.630 74.1 130.8 74.4 16.7 101.3 2.1 25.1 30 30 A N - 0 0 25 14,-0.1 -4,-1.2 20,-0.1 2,-0.6 -0.896 54.1-143.1-105.9 117.8 98.5 2.3 27.7 31 31 A L E +J 25 0C 0 -2,-0.6 12,-1.8 -6,-0.2 13,-0.4 -0.731 31.8 179.6 -78.9 121.3 94.9 2.1 26.4 32 32 A V E -JK 24 42C 3 -8,-2.0 -8,-2.5 -2,-0.6 2,-0.5 -0.933 28.8-148.2-130.5 152.2 92.9 4.4 28.6 33 33 A L E -JK 23 41C 5 8,-2.7 7,-1.8 -2,-0.3 8,-1.2 -0.968 24.3-163.7-118.2 114.8 89.2 5.6 28.9 34 34 A Y E -JK 22 39C 52 -12,-2.7 2,-0.8 -2,-0.5 -12,-0.7 -0.856 22.7-160.7-110.3 130.3 88.8 9.2 30.2 35 35 A D E > S- K 0 38C 31 3,-2.4 3,-1.3 -2,-0.4 2,-0.2 -0.921 85.9 -45.1 -98.4 109.9 85.8 11.0 31.6 36 36 A H T 3 S- 0 0 137 -2,-0.8 -2,-0.1 1,-0.3 -15,-0.0 -0.471 122.1 -31.6 62.2-123.6 87.0 14.6 31.0 37 37 A S T 3 S+ 0 0 103 -2,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.679 118.9 101.0 -96.6 -22.7 90.6 14.3 32.2 38 38 A T E < S-K 35 0C 93 -3,-1.3 -3,-2.4 -4,-0.1 2,-0.1 -0.415 72.7-131.6 -65.4 130.2 89.9 11.7 34.9 39 39 A S E +K 34 0C 72 -5,-0.2 -5,-0.2 -2,-0.1 3,-0.1 -0.422 29.4 171.9 -77.0 159.0 90.9 8.2 33.8 40 40 A V E + 0 0 91 -7,-1.8 2,-0.3 1,-0.6 -6,-0.2 0.497 63.4 14.0-135.0 -42.9 88.2 5.5 34.4 41 41 A W E +K 33 0C 47 -8,-1.2 -8,-2.7 173,-0.0 -1,-0.6 -0.922 63.3 166.0-135.7 157.8 89.5 2.4 32.7 42 42 A A E -K 32 0C 24 -2,-0.3 -10,-0.2 -10,-0.3 -12,-0.0 -0.969 42.6-127.4-167.2 157.6 92.9 1.3 31.4 43 43 A S - 0 0 17 -12,-1.8 -11,-0.1 -2,-0.3 -1,-0.1 0.674 40.6-139.8 -82.6 -20.4 94.9 -1.8 30.2 44 44 A N + 0 0 143 -13,-0.4 -14,-0.1 1,-0.1 -12,-0.1 0.840 68.1 119.0 61.1 40.0 97.7 -0.9 32.6 45 45 A T + 0 0 32 -16,-0.1 2,-0.2 -14,-0.1 -1,-0.1 0.055 38.2 138.3-119.0 22.4 100.3 -1.9 30.1 46 46 A G + 0 0 36 -15,-0.1 2,-0.3 2,-0.0 -17,-0.2 -0.476 23.9 172.4 -79.2 139.1 101.9 1.6 29.9 47 47 A I > - 0 0 95 -19,-2.9 3,-2.5 3,-0.3 -17,-0.1 -0.970 38.5-112.8-143.3 122.4 105.7 2.2 29.8 48 48 A L T 3 S+ 0 0 148 -2,-0.3 -20,-0.1 1,-0.3 3,-0.1 -0.330 106.3 19.7 -57.9 132.6 107.1 5.7 29.2 49 49 A G T 3 S+ 0 0 77 -22,-0.2 2,-1.8 1,-0.2 -1,-0.3 0.306 88.6 123.3 89.0 -9.7 108.9 5.8 25.8 50 50 A K < + 0 0 49 -3,-2.5 -3,-0.3 -22,-0.1 3,-0.2 -0.615 40.7 150.3 -86.1 77.6 106.9 2.7 24.7 51 51 A K + 0 0 109 -2,-1.8 17,-0.3 1,-0.2 -24,-0.1 -0.451 31.6 64.1-103.5 176.7 105.5 4.4 21.6 52 52 A G + 0 0 30 1,-0.2 2,-0.2 -2,-0.2 -1,-0.2 0.698 67.4 149.3 82.2 21.2 104.4 3.0 18.2 53 53 A a - 0 0 1 -27,-0.3 -41,-0.6 -3,-0.2 2,-0.4 -0.548 28.5-162.5 -88.9 152.0 101.6 0.8 19.5 54 54 A R E -FG 11 66B 84 12,-1.5 12,-3.0 -2,-0.2 2,-0.5 -1.000 9.0-151.9-136.4 130.7 98.4 -0.0 17.6 55 55 A A E -FG 10 65B 0 -45,-2.3 -45,-1.9 -2,-0.4 2,-0.4 -0.916 23.3-173.7-101.3 129.4 95.1 -1.4 19.0 56 56 A V E -FG 9 64B 29 8,-3.0 8,-2.0 -2,-0.5 2,-0.5 -0.977 24.1-142.5-135.7 128.1 93.2 -3.4 16.4 57 57 A L E - G 0 63B 0 -49,-2.2 -50,-2.1 -2,-0.4 -49,-0.4 -0.708 35.6-157.3 -81.7 127.0 89.8 -5.1 16.3 58 58 A Q > - 0 0 34 4,-2.1 3,-2.0 -2,-0.5 4,-0.2 -0.640 29.6-108.6-113.8 167.5 90.1 -8.4 14.5 59 59 A S T 3 S+ 0 0 38 1,-0.3 24,-1.5 -2,-0.2 -1,-0.1 0.755 116.5 57.6 -57.4 -35.1 88.0 -11.0 12.5 60 60 A D T 3 S- 0 0 57 22,-0.2 20,-2.4 2,-0.1 21,-0.4 0.462 124.7-104.8 -77.3 0.3 88.2 -13.6 15.3 61 61 A G S < S+ 0 0 0 -3,-2.0 2,-0.4 1,-0.3 17,-0.2 0.854 75.2 139.9 79.7 38.5 86.6 -10.9 17.5 62 62 A N - 0 0 12 -4,-0.2 -4,-2.1 15,-0.1 2,-1.0 -0.949 46.5-149.7-120.2 132.5 89.7 -10.0 19.4 63 63 A F E -G 57 0B 0 -2,-0.4 13,-1.6 -6,-0.2 2,-0.4 -0.840 30.2-177.0 -97.8 95.4 90.8 -6.5 20.4 64 64 A V E -GH 56 75B 5 -8,-2.0 -8,-3.0 -2,-1.0 2,-0.6 -0.805 22.3-151.6-103.3 136.8 94.6 -6.8 20.4 65 65 A V E -GH 55 74B 0 9,-2.8 8,-2.2 -2,-0.4 9,-1.1 -0.922 25.4-155.7-101.2 123.5 97.1 -4.1 21.4 66 66 A Y E -GH 54 72B 59 -12,-3.0 -12,-1.5 -2,-0.6 6,-0.2 -0.830 11.7-115.7-111.1 149.7 100.4 -4.6 19.5 67 67 A D - 0 0 29 4,-2.8 -15,-0.1 -2,-0.3 -13,-0.1 -0.135 41.3 -96.3 -68.3 164.7 104.0 -3.7 20.1 68 68 A A S S+ 0 0 36 -17,-0.3 -1,-0.1 1,-0.1 -16,-0.1 0.788 127.3 37.3 -54.7 -30.7 106.0 -1.3 17.9 69 69 A E S S- 0 0 163 2,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.915 129.6 -81.4 -83.3 -77.8 107.3 -4.4 16.1 70 70 A G S S+ 0 0 40 2,-0.0 2,-0.3 -17,-0.0 -2,-0.1 0.234 80.4 121.5 174.5 37.0 104.3 -6.8 16.1 71 71 A R - 0 0 190 1,-0.0 -4,-2.8 0, 0.0 2,-0.2 -0.868 61.9 -94.7-119.3 153.7 103.8 -8.7 19.3 72 72 A S E +H 66 0B 72 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.380 40.4 159.7 -67.8 131.4 101.0 -9.0 21.8 73 73 A L E S- 0 0 50 -8,-2.2 2,-0.3 1,-0.5 -1,-0.2 0.682 73.6 -1.9-113.5 -44.3 100.9 -6.7 24.9 74 74 A W E -H 65 0B 57 -9,-1.1 -9,-2.8 -29,-0.0 -1,-0.5 -0.979 60.2-176.4-148.5 154.5 97.2 -6.9 25.8 75 75 A A E -H 64 0B 30 -2,-0.3 -11,-0.2 -11,-0.2 -13,-0.0 -0.959 29.5-142.0-157.1 135.8 94.1 -8.6 24.4 76 76 A S - 0 0 15 -13,-1.6 -12,-0.1 -2,-0.3 135,-0.1 0.777 37.7-142.6 -66.5 -26.2 90.4 -8.6 25.3 77 77 A H + 0 0 149 -14,-0.1 -15,-0.1 1,-0.1 -1,-0.0 0.843 51.4 143.5 62.9 41.4 90.4 -12.3 24.4 78 78 A S + 0 0 6 -17,-0.2 2,-0.5 132,-0.0 -1,-0.1 -0.032 17.9 154.0 -97.0 29.0 87.0 -12.2 22.8 79 79 A V + 0 0 70 1,-0.1 -18,-0.2 -16,-0.0 3,-0.1 -0.462 3.0 155.4 -63.3 109.9 88.0 -14.7 20.1 80 80 A R - 0 0 169 -20,-2.4 -1,-0.1 -2,-0.5 -19,-0.1 -0.131 60.4 -72.9-131.8 40.8 84.7 -16.3 19.1 81 81 A G S S- 0 0 45 -21,-0.4 -1,-0.5 2,-0.1 2,-0.2 0.016 71.6 -48.2 88.3 159.1 85.4 -17.5 15.5 82 82 A N S S+ 0 0 142 -3,-0.1 2,-0.2 -22,-0.1 -22,-0.2 -0.454 83.3 107.1 -67.4 134.2 85.7 -15.7 12.2 83 83 A G - 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