==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 14-SEP-12 4H3O . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ALLIUM SATIVUM; . AUTHOR S.KUMAR,S.YAMINI,J.KUMAR,P.KAUR,T.P.SINGH,S.DEY . 210 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9618.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 72.9 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 . 89 42.4 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 . 8 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 . 33 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.1 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+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 . 0 2 6 7 3 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 6 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 R 0 0 130 0, 0.0 16,-2.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 128.1 13.6 -13.2 -8.4 2 2 A N + 0 0 28 14,-0.2 87,-2.8 1,-0.1 2,-0.3 0.384 360.0 53.1-124.8 -6.9 9.8 -13.2 -8.4 3 3 A I E -A 88 0A 20 85,-0.2 2,-0.4 83,-0.0 85,-0.2 -0.943 54.6-157.4-132.6 150.6 9.1 -11.0 -11.5 4 4 A L E -A 87 0A 0 83,-2.1 83,-2.4 -2,-0.3 2,-0.1 -0.999 16.7-165.4-119.4 131.6 10.0 -10.5 -15.1 5 5 A D > - 0 0 18 -2,-0.4 3,-1.4 1,-0.2 52,-0.4 -0.311 49.3 -42.0 -92.5-174.1 9.7 -7.1 -16.8 6 6 A N T 3 S+ 0 0 31 79,-0.4 -1,-0.2 1,-0.3 52,-0.2 -0.250 128.0 0.4 -49.1 132.7 9.7 -6.3 -20.5 7 7 A N T 3 S+ 0 0 113 50,-2.2 2,-0.3 1,-0.2 -1,-0.3 0.839 102.2 123.6 44.7 43.2 12.3 -8.2 -22.6 8 8 A E E < +D 57 0B 63 -3,-1.4 49,-2.2 49,-0.6 2,-0.3 -0.914 37.4 170.5-111.6 151.2 13.5 -10.0 -19.4 9 9 A G E -D 56 0B 5 -2,-0.3 2,-0.6 47,-0.2 47,-0.3 -0.954 39.7-105.3-152.5 169.4 13.4 -13.8 -19.4 10 10 A L E -D 55 0B 0 45,-2.4 45,-2.6 -2,-0.3 3,-0.1 -0.933 38.2-159.3 -99.1 115.4 14.3 -17.1 -17.8 11 11 A Y > - 0 0 140 -2,-0.6 3,-2.6 43,-0.2 14,-0.3 -0.351 46.4 -53.5 -83.6 172.8 17.2 -18.7 -19.6 12 12 A A T 3 S+ 0 0 36 41,-0.4 14,-0.2 1,-0.3 -1,-0.2 -0.229 130.9 12.1 -50.9 126.2 18.0 -22.4 -19.4 13 13 A G T 3 S+ 0 0 43 12,-2.7 -1,-0.3 1,-0.3 13,-0.1 0.146 101.4 121.4 91.5 -18.5 18.4 -23.4 -15.7 14 14 A Q < + 0 0 80 -3,-2.6 11,-2.7 11,-0.4 2,-0.3 -0.443 36.9 178.4 -83.8 153.4 16.9 -20.1 -14.4 15 15 A S E -G 24 0C 30 9,-0.2 2,-0.5 -2,-0.1 9,-0.2 -0.968 33.2-121.7-148.4 158.3 13.9 -19.8 -12.2 16 16 A L E -G 23 0C 0 7,-2.2 7,-2.0 -2,-0.3 2,-0.6 -0.921 35.5-155.7 -97.7 132.4 11.6 -17.5 -10.2 17 17 A D E +G 22 0C 76 -16,-2.4 2,-0.3 -2,-0.5 5,-0.2 -0.941 34.1 148.1-120.1 112.3 11.6 -18.4 -6.6 18 18 A V E > -G 21 0C 16 3,-2.1 3,-2.5 -2,-0.6 75,-0.1 -0.776 62.6 -87.8-133.8 94.8 8.8 -17.7 -4.1 19 19 A E T 3 S+ 0 0 142 1,-0.4 74,-0.1 -2,-0.3 3,-0.1 -0.066 110.7 15.1 -47.1 135.3 8.9 -20.6 -1.6 20 20 A P T 3 S+ 0 0 38 0, 0.0 16,-2.0 0, 0.0 -1,-0.4 -0.954 121.0 72.0 -91.2 16.4 7.5 -23.2 -1.9 21 21 A Y E < -GH 18 35C 44 -3,-2.5 -3,-2.1 14,-0.2 2,-0.4 -0.650 52.9-173.1 -99.3 144.9 6.9 -22.4 -5.6 22 22 A H E -GH 17 34C 43 12,-1.9 12,-3.7 -2,-0.3 2,-0.7 -0.995 14.8-162.0-137.2 130.7 9.3 -22.4 -8.5 23 23 A F E -GH 16 33C 0 -7,-2.0 -7,-2.2 -2,-0.4 2,-0.5 -0.946 29.5-174.5-107.4 106.8 8.8 -21.3 -12.1 24 24 A I E -GH 15 32C 40 8,-2.8 8,-2.4 -2,-0.7 2,-1.2 -0.907 33.4-151.6-117.1 126.8 11.8 -22.9 -13.9 25 25 A M E - H 0 31C 0 -11,-2.7 -12,-2.7 -2,-0.5 -11,-0.4 -0.784 41.0-152.0 -85.5 90.3 13.0 -22.7 -17.5 26 26 A Q > - 0 0 34 4,-2.2 3,-1.5 -2,-1.2 27,-0.3 -0.116 23.6-116.6 -70.2 161.2 14.5 -26.2 -17.4 27 27 A D T 3 S+ 0 0 115 1,-0.3 25,-0.4 -15,-0.1 26,-0.2 0.698 114.9 65.0 -68.3 -20.2 17.4 -27.5 -19.5 28 28 A D T 3 S- 0 0 70 2,-0.2 19,-0.4 23,-0.1 -1,-0.3 0.313 120.1-110.5 -84.1 8.5 15.0 -30.0 -21.2 29 29 A a S < S+ 0 0 0 -3,-1.5 2,-0.4 1,-0.3 -2,-0.1 0.481 78.1 130.1 77.4 5.6 13.3 -26.9 -22.7 30 30 A N - 0 0 17 14,-0.1 -4,-2.2 23,-0.1 2,-0.7 -0.775 51.7-146.2 -89.4 130.1 10.1 -27.4 -20.5 31 31 A L E -H 25 0C 0 -2,-0.4 12,-1.9 -6,-0.2 2,-0.4 -0.897 30.8-178.4 -95.5 115.0 8.9 -24.3 -18.6 32 32 A V E -HI 24 42C 2 -8,-2.4 -8,-2.8 -2,-0.7 2,-0.6 -0.944 28.8-148.2-127.8 133.9 7.4 -25.8 -15.4 33 33 A L E -HI 23 41C 3 8,-3.4 7,-2.7 -2,-0.4 8,-1.2 -0.894 25.3-159.8 -96.5 118.5 5.7 -24.4 -12.3 34 34 A Y E -HI 22 39C 48 -12,-3.7 -12,-1.9 -2,-0.6 2,-0.7 -0.830 20.8-164.3-102.9 134.7 6.5 -26.4 -9.2 35 35 A D E > S-HI 21 38C 54 3,-3.0 3,-2.2 -2,-0.4 -14,-0.2 -0.945 81.5 -52.3-107.1 101.8 4.6 -26.6 -6.0 36 36 A H T 3 S- 0 0 122 -16,-2.0 -14,-0.2 -2,-0.7 0, 0.0 -0.454 123.1 -22.6 53.5-137.4 7.3 -28.2 -3.9 37 37 A S T 3 S+ 0 0 116 -3,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.389 119.2 98.5 -83.2 2.8 8.3 -31.2 -6.0 38 38 A T E < S-I 35 0C 94 -3,-2.2 -3,-3.0 2,-0.0 2,-0.6 -0.817 70.0-135.7 -98.9 125.3 5.0 -31.4 -7.9 39 39 A S E +I 34 0C 67 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.674 29.5 169.4 -72.6 117.5 4.6 -29.9 -11.4 40 40 A T E + 0 0 85 -7,-2.7 2,-0.3 -2,-0.6 -1,-0.2 0.592 68.2 18.1-106.2 -18.3 1.2 -28.1 -11.4 41 41 A W E +I 33 0C 50 -8,-1.2 -8,-3.4 0, 0.0 -1,-0.4 -0.965 66.1 175.4-153.1 137.2 1.7 -26.3 -14.7 42 42 A A E -I 32 0C 24 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.970 36.3-139.2-138.4 154.1 3.9 -26.9 -17.7 43 43 A S - 0 0 7 -12,-1.9 -11,-0.1 -2,-0.3 32,-0.1 0.632 43.2-134.7 -78.5 -16.6 4.4 -25.4 -21.2 44 44 A N + 0 0 121 -13,-0.3 -14,-0.1 1,-0.1 -12,-0.1 0.917 61.7 134.2 59.7 48.6 4.9 -29.1 -22.3 45 45 A T + 0 0 5 -14,-0.1 2,-1.2 2,-0.1 -1,-0.1 -0.078 14.5 121.7-123.4 31.6 7.9 -28.1 -24.4 46 46 A E + 0 0 92 -15,-0.1 2,-0.4 -17,-0.1 -17,-0.2 -0.893 47.0 179.5 -84.3 102.0 10.4 -30.8 -23.5 47 47 A I > - 0 0 82 -2,-1.2 3,-2.5 -19,-0.4 -2,-0.1 -0.936 42.7 -87.8-105.7 135.7 10.6 -31.8 -27.2 48 48 A G T 3 S+ 0 0 91 -2,-0.4 -1,-0.0 1,-0.3 -2,-0.0 0.494 114.0 5.3 0.6 -75.9 13.0 -34.7 -28.1 49 49 A G T 3 S+ 0 0 78 2,-0.0 2,-0.4 -20,-0.0 -1,-0.3 -0.143 90.5 131.5-124.1 39.0 16.3 -32.8 -28.7 50 50 A K < + 0 0 53 -3,-2.5 2,-0.3 -22,-0.2 3,-0.1 -0.780 23.6 158.4 -93.7 133.1 15.6 -29.2 -27.7 51 51 A S + 0 0 74 -2,-0.4 17,-0.7 1,-0.1 -23,-0.1 -0.959 48.2 42.5-145.9 165.7 18.1 -27.4 -25.4 52 52 A G S S+ 0 0 42 -25,-0.4 -1,-0.1 -2,-0.3 -25,-0.1 0.789 74.7 165.6 68.1 30.1 19.1 -23.8 -24.4 53 53 A a - 0 0 1 -27,-0.3 -41,-0.4 -26,-0.2 2,-0.3 -0.339 18.2-161.3 -75.2 156.9 15.5 -22.7 -24.4 54 54 A S E - E 0 66B 19 12,-2.1 12,-3.2 -43,-0.2 2,-0.6 -0.999 15.0-143.4-142.8 144.8 14.4 -19.3 -22.9 55 55 A A E -DE 10 65B 0 -45,-2.6 -45,-2.4 -2,-0.3 2,-0.4 -0.940 26.7-178.8-109.3 118.3 11.1 -17.8 -21.7 56 56 A V E -DE 9 64B 25 8,-2.7 8,-2.3 -2,-0.6 2,-0.5 -0.961 25.2-140.7-124.5 130.6 10.8 -14.1 -22.4 57 57 A L E -DE 8 63B 0 -49,-2.2 -50,-2.2 -2,-0.4 -49,-0.6 -0.788 31.8-148.2 -83.8 127.4 8.0 -11.6 -21.5 58 58 A Q > - 0 0 49 4,-3.0 3,-1.7 -2,-0.5 27,-0.1 -0.527 23.3-109.2-100.3 165.2 7.7 -9.3 -24.5 59 59 A S T 3 S+ 0 0 47 1,-0.3 24,-1.9 -2,-0.2 -53,-0.1 0.492 115.3 59.7 -71.5 -5.9 6.7 -5.6 -24.8 60 60 A D T 3 S- 0 0 46 22,-0.2 20,-3.4 2,-0.2 21,-1.3 0.418 121.6-101.6 -99.7 -0.4 3.3 -6.6 -26.4 61 61 A G S < S+ 0 0 0 -3,-1.7 2,-0.3 1,-0.4 -2,-0.1 0.254 81.0 131.1 99.4 -9.9 2.2 -8.6 -23.4 62 62 A N - 0 0 21 15,-0.1 -4,-3.0 -5,-0.1 2,-0.5 -0.565 45.7-152.6 -79.7 137.8 3.0 -12.0 -24.9 63 63 A F E -E 57 0B 0 -2,-0.3 13,-2.6 -6,-0.2 2,-0.4 -0.968 23.3-176.4-111.7 122.4 5.0 -14.5 -22.9 64 64 A V E -EF 56 75B 3 -8,-2.3 -8,-2.7 -2,-0.5 2,-0.5 -0.967 27.3-146.9-132.9 132.6 6.9 -16.8 -25.1 65 65 A V E -EF 55 74B 0 9,-2.4 8,-2.8 -2,-0.4 9,-1.3 -0.875 27.7-168.3 -92.0 125.9 9.2 -19.9 -24.8 66 66 A Y E -EF 54 72B 47 -12,-3.2 -12,-2.1 -2,-0.5 6,-0.2 -0.867 17.4-128.8-111.9 149.1 11.8 -19.9 -27.5 67 67 A D > - 0 0 4 4,-2.4 3,-2.2 -2,-0.3 -15,-0.1 -0.337 46.4 -87.1 -80.8 176.8 14.2 -22.6 -28.6 68 68 A S T 3 S+ 0 0 92 -17,-0.7 -16,-0.1 1,-0.3 -1,-0.1 0.753 130.3 50.1 -62.0 -25.5 18.0 -21.8 -28.9 69 69 A S T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -16,-0.1 0.246 123.9-102.3 -96.5 12.5 17.6 -20.7 -32.5 70 70 A G < + 0 0 48 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.667 69.1 148.5 81.3 18.8 14.7 -18.4 -31.6 71 71 A R - 0 0 145 1,-0.0 -4,-2.4 2,-0.0 2,-0.5 -0.732 51.1-120.6 -81.0 132.3 11.7 -20.5 -32.8 72 72 A S E +F 66 0B 85 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.633 36.4 171.2 -75.4 122.7 8.6 -19.9 -30.7 73 73 A L E + 0 0 47 -8,-2.8 2,-0.3 -2,-0.5 -1,-0.2 0.700 67.1 9.8-102.9 -29.3 7.5 -23.2 -29.1 74 74 A W E -F 65 0B 54 -9,-1.3 -9,-2.4 -29,-0.0 -1,-0.4 -0.989 62.5-172.6-150.3 146.6 4.9 -21.9 -26.7 75 75 A A E -F 64 0B 16 -2,-0.3 -11,-0.2 -11,-0.2 -13,-0.0 -0.996 30.6-137.3-140.6 148.2 3.1 -18.6 -26.1 76 76 A S - 0 0 8 -13,-2.6 134,-0.1 -2,-0.3 -12,-0.1 0.688 38.6-138.8 -62.2 -25.3 0.7 -17.3 -23.5 77 77 A H + 0 0 161 -14,-0.3 -15,-0.1 1,-0.1 -13,-0.1 0.932 59.6 133.7 54.4 48.3 -1.2 -15.7 -26.4 78 78 A S + 0 0 7 -15,-0.1 2,-0.1 -17,-0.0 -1,-0.1 0.048 19.7 157.1-115.2 27.2 -1.7 -12.6 -24.3 79 79 A T + 0 0 78 1,-0.2 -18,-0.2 -18,-0.1 3,-0.1 -0.338 3.5 160.6 -59.3 123.7 -0.8 -9.8 -26.8 80 80 A R - 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