==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 04-DEC-01 1KJ1 . COMPND 2 MOLECULE: LECTIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: ALLIUM SATIVUM; . AUTHOR G.RAMACHANDRAIAH,N.R.CHANDRA,A.SUROLIA,M.VIJAYAN . 436 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20362.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 68.6 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 . 182 41.7 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 . 8 1.8 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 . 1 0.2 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 . 60 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 7.8 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+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 0 17 12 7 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 12 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 0 120 0, 0.0 16,-2.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 141.8 84.3 8.5 15.4 2 2 A N + 0 0 25 14,-0.2 87,-2.6 1,-0.1 2,-0.3 0.382 360.0 39.5-125.2 -2.5 82.3 6.3 17.8 3 3 A L E -A 88 0A 17 85,-0.2 2,-0.4 83,-0.0 85,-0.2 -0.969 54.7-148.2-149.5 164.3 82.9 2.9 16.4 4 4 A L E -A 87 0A 0 83,-2.0 83,-2.4 -2,-0.3 2,-0.2 -1.000 14.0-165.5-134.7 132.8 85.3 0.4 14.8 5 5 A T E > -A 86 0A 35 -2,-0.4 3,-2.7 81,-0.2 52,-0.3 -0.581 51.6 -44.1-108.3 173.4 84.5 -2.4 12.3 6 6 A N T 3 S+ 0 0 43 79,-0.8 52,-0.2 1,-0.3 -1,-0.2 -0.034 128.9 8.6 -38.9 123.8 86.6 -5.3 11.1 7 7 A G T 3 S+ 0 0 64 50,-2.2 -1,-0.3 1,-0.3 2,-0.2 0.356 100.7 117.5 84.9 -9.2 90.1 -4.3 10.4 8 8 A E < + 0 0 53 -3,-2.7 49,-1.9 49,-0.3 -1,-0.3 -0.633 36.1 158.0 -91.5 154.2 89.8 -0.8 11.8 9 9 A G E -D 56 0B 12 -2,-0.2 2,-0.5 47,-0.2 47,-0.2 -0.947 40.9 -97.5-159.9 179.2 91.8 0.4 14.7 10 10 A L E -D 55 0B 1 45,-1.9 45,-2.4 -2,-0.3 2,-0.2 -0.945 30.3-155.6-111.0 125.2 93.3 3.3 16.7 11 11 A Y E > -D 54 0B 154 -2,-0.5 3,-3.1 43,-0.2 14,-0.3 -0.571 50.9 -62.2 -91.5 163.9 96.9 4.2 16.1 12 12 A A T 3 S+ 0 0 28 41,-1.0 14,-0.2 1,-0.3 -1,-0.2 -0.182 130.7 19.7 -47.9 128.7 98.8 6.0 18.9 13 13 A G T 3 S+ 0 0 47 12,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.169 100.5 117.6 94.7 -17.2 97.1 9.3 19.5 14 14 A Q < + 0 0 86 -3,-3.1 11,-2.3 11,-0.4 -1,-0.3 -0.537 38.2 170.7 -87.0 151.1 93.8 8.2 17.9 15 15 A S E -G 24 0C 23 9,-0.2 2,-0.4 -2,-0.2 9,-0.2 -0.974 35.5-120.1-154.7 166.0 90.5 8.0 19.7 16 16 A L E -G 23 0C 0 7,-2.6 7,-2.5 -2,-0.3 2,-0.4 -0.887 35.1-165.6-106.2 140.0 86.8 7.5 19.7 17 17 A D E +G 22 0C 77 -16,-2.5 2,-0.3 -2,-0.4 5,-0.2 -0.995 21.1 161.7-135.2 133.0 84.7 10.4 21.1 18 18 A V E > S-G 21 0C 19 3,-1.8 3,-2.5 -2,-0.4 -2,-0.0 -0.931 71.1 -41.1-147.8 119.5 81.1 10.7 22.2 19 19 A E T 3 S- 0 0 161 -2,-0.3 -1,-0.1 1,-0.3 72,-0.0 -0.306 124.2 -26.4 56.0-136.9 80.0 13.6 24.4 20 20 A P T 3 S+ 0 0 49 0, 0.0 16,-2.3 0, 0.0 2,-0.3 0.427 115.1 111.0 -89.0 9.7 82.7 14.0 27.1 21 21 A Y E < -GH 18 35C 27 -3,-2.5 -3,-1.8 14,-0.2 2,-0.4 -0.616 45.6-175.0 -83.7 138.1 83.7 10.3 26.7 22 22 A H E -GH 17 34C 51 12,-2.3 12,-3.1 -2,-0.3 2,-0.6 -0.965 14.1-172.8-140.8 118.4 87.1 9.5 25.2 23 23 A F E +GH 16 33C 0 -7,-2.5 -7,-2.6 -2,-0.4 2,-0.4 -0.947 26.8 174.4-110.7 112.0 88.5 6.1 24.3 24 24 A I E -GH 15 32C 19 8,-2.7 8,-2.3 -2,-0.6 2,-0.9 -0.936 40.5-141.3-131.8 145.9 92.1 6.5 23.2 25 25 A M E - H 0 31C 0 -11,-2.3 -12,-3.1 -2,-0.4 -11,-0.4 -0.884 41.9-153.4 -97.1 103.3 95.2 4.5 22.3 26 26 A Q > - 0 0 27 4,-2.3 3,-1.9 -2,-0.9 27,-0.3 -0.288 25.9-111.1 -80.6 165.4 97.9 6.6 24.0 27 27 A E T 3 S+ 0 0 92 1,-0.3 22,-0.1 2,-0.1 -1,-0.1 0.490 118.2 61.3 -72.2 -3.5 101.6 7.1 23.1 28 28 A D T 3 S- 0 0 34 2,-0.2 19,-2.4 21,-0.1 -1,-0.3 0.337 118.7-113.1-101.3 5.9 102.5 5.2 26.3 29 29 A a S < S+ 0 0 0 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.627 74.2 134.0 73.8 16.8 100.7 2.2 24.9 30 30 A N - 0 0 26 14,-0.1 -4,-2.3 23,-0.1 2,-0.7 -0.817 51.1-142.0 -97.8 135.7 97.9 2.4 27.5 31 31 A L E -H 25 0C 0 -2,-0.4 12,-1.9 -6,-0.2 2,-0.4 -0.904 32.6-179.4 -98.2 118.6 94.3 2.0 26.2 32 32 A V E -HI 24 42C 2 -8,-2.3 -8,-2.7 -2,-0.7 2,-0.5 -0.954 29.3-153.5-131.1 142.9 92.2 4.4 28.3 33 33 A L E -HI 23 41C 5 8,-2.4 7,-3.1 -2,-0.4 8,-1.3 -0.953 24.5-169.0-110.3 124.0 88.6 5.5 28.6 34 34 A Y E -HI 22 39C 55 -12,-3.1 -12,-2.3 -2,-0.5 2,-0.7 -0.907 25.2-156.5-119.1 142.6 88.1 9.1 30.0 35 35 A D E > S-HI 21 38C 34 3,-2.6 3,-2.2 -2,-0.4 2,-0.4 -0.977 85.6 -43.6-111.1 108.9 85.1 11.0 31.2 36 36 A H T 3 S- 0 0 139 -16,-2.3 -2,-0.1 -2,-0.7 -14,-0.0 -0.506 123.8 -29.5 65.1-120.9 86.4 14.6 30.7 37 37 A S T 3 S+ 0 0 105 -2,-0.4 2,-0.6 -3,-0.1 -1,-0.3 0.380 116.8 105.1-106.8 2.9 90.0 14.4 32.0 38 38 A T E < S-I 35 0C 89 -3,-2.2 -3,-2.6 1,-0.0 2,-0.1 -0.744 70.2-131.9 -90.8 120.0 89.3 11.7 34.5 39 39 A S E +I 34 0C 75 -2,-0.6 -5,-0.2 -5,-0.2 3,-0.1 -0.420 29.9 170.7 -66.8 139.2 90.5 8.2 33.7 40 40 A V E + 0 0 81 -7,-3.1 2,-0.3 1,-0.5 -6,-0.2 0.697 62.1 6.5-118.8 -39.9 87.8 5.6 34.2 41 41 A W E +I 33 0C 51 -8,-1.3 -8,-2.4 176,-0.0 -1,-0.5 -0.972 63.0 173.6-144.8 154.7 89.1 2.3 32.7 42 42 A A E -I 32 0C 22 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.985 41.2-126.2-162.1 153.7 92.4 1.2 31.3 43 43 A S - 0 0 11 -12,-1.9 -11,-0.1 -2,-0.3 32,-0.1 0.526 44.7-134.4 -79.2 -5.3 94.3 -1.8 30.0 44 44 A N + 0 0 143 -13,-0.3 -14,-0.1 1,-0.1 -12,-0.1 0.888 70.0 122.9 53.3 43.6 97.1 -1.0 32.4 45 45 A T + 0 0 24 -14,-0.1 2,-0.2 -16,-0.1 -1,-0.1 0.022 34.2 134.7-121.6 24.2 99.6 -1.6 29.7 46 46 A G + 0 0 33 -15,-0.1 2,-0.3 3,-0.0 -17,-0.2 -0.516 23.6 169.8 -84.3 145.4 101.3 1.8 29.8 47 47 A I > - 0 0 95 -19,-2.4 3,-2.8 -2,-0.2 -17,-0.0 -0.893 41.3-111.4-151.3 115.1 105.1 2.5 29.8 48 48 A L T 3 S+ 0 0 160 -2,-0.3 -20,-0.1 1,-0.3 3,-0.1 -0.241 105.7 18.2 -51.1 127.3 106.4 6.0 29.3 49 49 A G T 3 S+ 0 0 74 1,-0.1 2,-2.2 -22,-0.1 -1,-0.3 0.231 84.6 126.3 94.9 -13.1 108.1 6.1 25.9 50 50 A K < + 0 0 62 -3,-2.8 3,-0.4 -22,-0.2 -3,-0.2 -0.488 41.9 167.7 -78.1 72.2 106.4 3.0 24.5 51 51 A K + 0 0 121 -2,-2.2 17,-0.4 1,-0.2 -24,-0.1 -0.365 39.2 46.9 -88.8 165.9 105.1 4.8 21.4 52 52 A G + 0 0 28 1,-0.2 -1,-0.2 15,-0.1 -25,-0.1 0.648 67.9 151.0 84.0 15.7 103.6 3.4 18.2 53 53 A a - 0 0 0 -3,-0.4 -41,-1.0 -27,-0.3 2,-0.3 -0.367 27.9-153.6 -77.6 161.2 101.1 0.9 19.6 54 54 A K E -DE 11 66B 65 12,-2.2 12,-2.9 -43,-0.2 2,-0.4 -1.000 9.7-153.0-139.9 139.1 97.8 0.0 17.8 55 55 A A E +DE 10 65B 0 -45,-2.4 -45,-1.9 -2,-0.3 2,-0.4 -0.927 23.5 179.6-109.5 133.1 94.4 -1.2 18.9 56 56 A V E -DE 9 64B 29 8,-2.6 8,-2.3 -2,-0.4 2,-0.6 -0.980 29.2-140.9-143.2 130.0 92.4 -3.3 16.4 57 57 A L E - E 0 63B 0 -49,-1.9 -50,-2.2 -2,-0.4 -49,-0.3 -0.766 38.5-155.3 -84.1 120.9 89.0 -5.0 16.2 58 58 A Q > - 0 0 41 4,-2.6 3,-1.7 -2,-0.6 -52,-0.1 -0.431 28.6-103.7 -99.5 172.5 89.7 -8.3 14.3 59 59 A S T 3 S+ 0 0 58 1,-0.3 24,-0.5 2,-0.1 -53,-0.1 0.745 118.8 58.4 -60.5 -29.2 87.7 -10.8 12.2 60 60 A D T 3 S- 0 0 48 22,-0.2 20,-3.3 2,-0.2 21,-0.9 0.440 121.2-106.4 -83.0 0.5 87.7 -13.3 15.1 61 61 A G S < S+ 0 0 0 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.591 77.6 136.8 84.8 11.5 85.9 -10.7 17.3 62 62 A N - 0 0 17 15,-0.1 -4,-2.6 14,-0.0 2,-0.7 -0.795 46.5-149.7 -97.3 131.7 89.1 -10.1 19.3 63 63 A F E -E 57 0B 0 -2,-0.4 13,-1.8 -6,-0.2 2,-0.3 -0.898 28.6-177.9-100.8 112.7 90.1 -6.6 20.2 64 64 A V E -EF 56 75B 5 -8,-2.3 -8,-2.6 -2,-0.7 2,-0.5 -0.896 27.3-150.2-122.9 145.7 93.9 -6.4 20.4 65 65 A V E -EF 55 74B 0 9,-2.7 8,-2.1 -2,-0.3 9,-1.0 -0.929 23.0-172.9-107.5 129.8 96.7 -3.9 21.2 66 66 A Y E -EF 54 72B 53 -12,-2.9 -12,-2.2 -2,-0.5 6,-0.2 -0.864 17.2-123.4-120.7 157.1 100.0 -4.5 19.4 67 67 A D - 0 0 10 4,-2.1 -15,-0.1 -2,-0.3 -14,-0.1 -0.336 47.4 -77.6 -92.9 178.5 103.4 -2.8 19.8 68 68 A A S S+ 0 0 60 -17,-0.4 -16,-0.1 1,-0.1 -1,-0.1 0.767 133.8 44.6 -44.5 -28.3 105.5 -0.9 17.2 69 69 A E S S- 0 0 137 2,-0.1 -1,-0.1 3,-0.0 -3,-0.1 0.930 119.8 -97.7 -78.7 -84.4 106.4 -4.4 16.1 70 70 A G S S+ 0 0 45 -5,-0.1 2,-0.4 2,-0.1 -2,-0.1 0.145 75.0 136.3 169.4 16.6 103.3 -6.5 15.9 71 71 A R - 0 0 154 1,-0.1 -4,-2.1 2,-0.0 -2,-0.1 -0.681 56.3-115.3 -86.3 137.5 103.6 -8.2 19.2 72 72 A S E +F 66 0B 84 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.326 34.9 170.3 -68.9 151.4 100.4 -8.4 21.3 73 73 A L E + 0 0 50 -8,-2.1 2,-0.3 1,-0.6 -7,-0.1 0.515 67.6 0.5-131.5 -29.9 100.2 -6.6 24.7 74 74 A W E +F 65 0B 55 -9,-1.0 -9,-2.7 -29,-0.0 -1,-0.6 -0.974 58.1 177.7-161.0 153.6 96.6 -6.9 25.6 75 75 A A E -F 64 0B 14 -2,-0.3 -11,-0.2 -11,-0.2 -13,-0.0 -0.948 36.7-131.7-162.8 141.1 93.4 -8.4 24.3 76 76 A S - 0 0 15 -13,-1.8 -12,-0.1 -2,-0.3 138,-0.1 0.687 41.5-140.1 -66.0 -17.2 89.8 -8.7 25.4 77 77 A H + 0 0 148 -14,-0.3 -15,-0.1 1,-0.1 -13,-0.1 0.942 54.8 141.9 52.2 52.0 90.2 -12.3 24.4 78 78 A S + 0 0 1 -17,-0.1 2,-0.2 -15,-0.1 -1,-0.1 -0.217 18.5 158.3-112.7 37.0 86.7 -12.3 23.0 79 79 A V + 0 0 72 1,-0.1 -18,-0.2 -16,-0.1 3,-0.1 -0.470 6.5 159.0 -65.6 128.6 87.6 -14.5 20.0 80 80 A R - 0 0 157 -20,-3.3 -19,-0.2 1,-0.4 -1,-0.1 0.254 56.1 -86.8-134.7 8.3 84.4 -16.2 18.7 81 81 A G - 0 0 31 -21,-0.9 -1,-0.4 2,-0.1 -19,-0.0 -0.237 67.0 -33.5 105.3 164.1 85.4 -17.1 15.2 82 82 A N S S+ 0 0 150 -2,-0.1 2,-0.3 -22,-0.1 -22,-0.2 -0.141 85.1 97.0 -53.4 149.0 85.4 -15.4 11.8 83 83 A G S S- 0 0 18 -24,-0.5 2,-0.5 17,-0.0 -22,-0.2 -0.987 73.9 -57.6 161.8-163.5 82.6 -12.9 11.2 84 84 A N + 0 0 71 -2,-0.3 17,-0.3 17,-0.1 2,-0.3 -0.966 54.0 167.9-116.1 127.2 81.6 -9.3 11.3 85 85 A Y - 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