==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 22-MAR-01 1H9W . COMPND 2 MOLECULE: SEED LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DIOCLEA GUIANENSIS; . AUTHOR A.ROMERO,D.A.WAH,F.G.D.SOL,B.S.CAVADA,M.V.RAMOS, . 462 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 67.3 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 . 199 43.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.1 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-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 46 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 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 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 . 2 6 0 2 5 6 4 2 2 1 1 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 0 0 0 0 2 0 0 0 0 0 0 0 1 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 A 0 0 148 0, 0.0 214,-0.0 0, 0.0 228,-0.0 0.000 360.0 360.0 360.0 104.7 86.0 43.8 5.1 2 2 A D - 0 0 48 214,-0.1 2,-0.6 226,-0.1 209,-0.0 -0.232 360.0-124.3 -69.7 161.9 83.6 41.8 7.3 3 3 A T - 0 0 43 2,-0.0 209,-0.6 26,-0.0 2,-0.4 -0.958 34.4-166.9-109.4 117.0 82.0 38.6 6.1 4 4 A I E +A 211 0A 2 -2,-0.6 26,-3.2 207,-0.2 2,-0.4 -0.913 23.0 174.8-117.2 133.4 78.2 38.9 6.5 5 5 A V E +AB 210 29A 2 205,-2.2 205,-2.8 -2,-0.4 2,-0.3 -0.997 28.1 163.3-127.1 122.0 75.4 36.3 6.4 6 6 A A E -AB 209 28A 2 22,-2.6 22,-3.7 -2,-0.4 2,-0.6 -0.978 42.6-140.8-147.0 158.2 72.1 37.8 7.3 7 7 A V E -AB 208 27A 6 201,-2.6 201,-2.0 -2,-0.3 2,-0.4 -0.981 35.4-155.9-112.9 117.4 68.3 37.4 7.2 8 8 A E E -AB 207 26A 0 18,-2.7 18,-2.3 -2,-0.6 2,-0.8 -0.801 23.4-158.1-104.8 141.0 66.8 40.8 6.5 9 9 A L E -AB 206 25A 0 197,-3.2 197,-1.6 -2,-0.4 2,-1.0 -0.892 27.3-167.1-108.9 89.1 63.4 42.2 7.3 10 10 A D E +AB 205 24A 1 14,-2.6 14,-3.0 -2,-0.8 195,-0.2 -0.739 18.3 173.8 -88.9 101.9 63.5 44.9 4.6 11 11 A S + 0 0 4 -2,-1.0 194,-0.2 193,-0.8 -1,-0.2 0.727 64.5 61.4 -79.9 -21.8 60.7 47.3 5.2 12 12 A Y S S- 0 0 64 192,-1.1 2,-0.8 12,-0.1 -1,-0.1 -0.925 77.6-137.0-115.3 119.6 61.8 49.8 2.4 13 13 A P - 0 0 36 0, 0.0 2,-0.9 0, 0.0 3,-0.1 -0.577 20.0-178.5 -75.0 106.5 61.9 48.8 -1.3 14 14 A N > > + 0 0 20 -2,-0.8 3,-2.0 1,-0.2 5,-1.8 -0.749 3.8 175.9-105.5 82.9 65.1 50.2 -2.8 15 15 A T G > 5S+ 0 0 86 -2,-0.9 3,-1.3 1,-0.3 -1,-0.2 0.710 71.3 74.1 -60.1 -21.0 64.7 49.1 -6.4 16 16 A D G 3 5S+ 0 0 138 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.715 105.0 36.6 -66.4 -19.8 67.9 51.0 -7.3 17 17 A I G < 5S- 0 0 5 -3,-2.0 -1,-0.3 15,-0.1 -2,-0.2 0.118 131.8 -81.7-120.0 20.6 69.9 48.3 -5.6 18 18 A G T < 5S+ 0 0 53 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.507 76.8 146.8 97.6 2.1 67.9 45.1 -6.4 19 19 A D < - 0 0 9 -5,-1.8 -1,-0.3 1,-0.1 14,-0.0 -0.485 52.8-115.2 -70.4 141.5 65.1 45.2 -3.8 20 20 A P - 0 0 25 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.240 39.1 -94.2 -67.4 173.3 61.9 43.8 -5.2 21 21 A S S S+ 0 0 97 -6,-0.1 -2,-0.0 -7,-0.1 3,-0.0 -0.267 101.4 48.6 -88.3 52.0 59.1 46.4 -5.4 22 22 A Y S S- 0 0 62 -2,-1.1 -8,-0.1 -12,-0.1 -10,-0.1 -0.925 100.4 -73.8-176.4 153.4 57.5 45.7 -2.0 23 23 A P + 0 0 41 0, 0.0 17,-2.4 0, 0.0 2,-0.3 -0.268 66.4 166.1 -53.2 146.8 58.5 45.2 1.7 24 24 A H E -BC 10 39A 0 -14,-3.0 -14,-2.6 15,-0.3 2,-0.3 -0.987 39.8-124.0-160.8 167.0 60.2 41.8 2.0 25 25 A I E +BC 9 38A 0 13,-2.1 13,-1.9 -2,-0.3 2,-0.3 -0.873 38.5 173.5-113.9 149.7 62.3 39.4 4.0 26 26 A G E -BC 8 37A 0 -18,-2.3 -18,-2.7 -2,-0.3 2,-0.6 -0.983 35.3-119.3-155.0 165.8 65.5 38.0 2.4 27 27 A I E -BC 7 36A 0 9,-2.3 8,-2.4 -2,-0.3 9,-1.0 -0.951 30.3-162.6-110.1 120.6 68.6 36.0 2.9 28 28 A D E -B 6 0A 0 -22,-3.7 -22,-2.6 -2,-0.6 2,-0.6 -0.912 9.4-171.3-110.1 129.9 71.9 37.9 2.3 29 29 A I E S-B 5 0A 11 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.916 77.6 -38.6-121.1 99.3 75.2 36.2 1.6 30 30 A K S S+ 0 0 133 -26,-3.2 2,-0.3 -2,-0.6 -25,-0.1 0.699 127.5 70.2 58.0 22.6 78.0 38.7 1.6 31 31 A S S S- 0 0 12 -27,-0.2 -2,-0.2 1,-0.1 4,-0.2 -0.944 77.8-130.3-166.9 144.4 75.9 41.3 -0.1 32 32 A I S S+ 0 0 1 201,-0.5 2,-1.4 199,-0.4 200,-0.1 0.743 92.7 88.8 -67.2 -23.3 72.9 43.5 0.4 33 33 A R S S- 0 0 99 200,-0.5 -4,-0.3 -4,-0.1 -1,-0.1 -0.651 90.0-127.3 -80.3 95.9 71.4 42.1 -2.8 34 34 A S - 0 0 27 -2,-1.4 -6,-0.2 1,-0.1 3,-0.1 -0.025 11.5-148.0 -46.9 139.4 69.6 39.2 -1.4 35 35 A K S S+ 0 0 101 -8,-2.4 2,-0.3 1,-0.3 -7,-0.1 0.732 90.6 15.8 -79.2 -23.3 70.2 35.7 -2.9 36 36 A S E S+C 27 0A 31 -9,-1.0 -9,-2.3 41,-0.1 2,-0.3 -0.990 72.2 177.4-151.2 141.6 66.6 34.9 -2.0 37 37 A T E -C 26 0A 56 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.948 10.6-165.5-143.6 163.7 63.5 37.0 -1.1 38 38 A A E -C 25 0A 20 -13,-1.9 -13,-2.1 -2,-0.3 37,-0.1 -0.982 38.8 -95.2-150.7 139.5 59.8 36.7 -0.3 39 39 A R E -C 24 0A 136 -2,-0.3 2,-0.6 -15,-0.2 -15,-0.3 -0.323 37.5-150.4 -57.7 132.9 57.1 39.3 -0.1 40 40 A W - 0 0 3 -17,-2.4 2,-1.8 -30,-0.2 -1,-0.1 -0.926 5.8-154.3-112.5 111.6 56.6 40.5 3.4 41 41 A N - 0 0 99 -2,-0.6 -17,-0.1 30,-0.1 -2,-0.0 -0.624 27.5-151.5 -85.4 83.0 53.1 41.6 4.3 42 42 A M - 0 0 35 -2,-1.8 2,-0.2 1,-0.1 25,-0.0 -0.127 17.8-158.7 -55.5 149.4 54.2 44.0 7.1 43 43 A Q > - 0 0 57 3,-0.2 3,-2.2 152,-0.0 152,-0.2 -0.672 18.9-159.7-128.9 69.9 51.9 44.7 10.1 44 44 A T T 3 S+ 0 0 78 1,-0.3 152,-0.2 -2,-0.2 3,-0.1 -0.240 77.5 26.6 -53.4 137.7 53.4 48.0 11.3 45 45 A G T 3 S+ 0 0 46 150,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.339 104.1 100.5 89.4 -8.5 52.4 48.6 14.9 46 46 A K S < S- 0 0 95 -3,-2.2 149,-0.6 149,-0.3 2,-0.4 -0.845 80.8-108.1-110.9 148.9 52.0 44.9 15.6 47 47 A V E -H 194 0B 65 -2,-0.3 21,-0.6 147,-0.1 2,-0.2 -0.601 40.6-165.4 -76.2 126.6 54.5 42.7 17.4 48 48 A G E -HI 193 67B 0 145,-2.9 145,-2.0 -2,-0.4 2,-0.4 -0.698 10.7-145.1-110.1 164.9 56.1 40.3 15.0 49 49 A T E -HI 192 66B 57 17,-2.8 17,-2.8 -2,-0.2 2,-0.4 -0.997 9.4-164.4-131.3 134.1 58.2 37.2 15.4 50 50 A A E -HI 191 65B 1 141,-2.7 141,-1.6 -2,-0.4 2,-0.4 -0.966 2.5-169.3-121.3 134.1 61.1 36.0 13.3 51 51 A H E -HI 190 64B 58 13,-3.3 13,-2.5 -2,-0.4 2,-0.4 -0.985 3.9-176.9-125.6 130.3 62.6 32.5 13.3 52 52 A I E +HI 189 63B 2 137,-3.0 137,-2.6 -2,-0.4 2,-0.3 -0.979 8.5 168.6-126.5 135.0 65.8 31.5 11.6 53 53 A S E +HI 188 62B 31 9,-2.4 9,-2.3 -2,-0.4 2,-0.3 -0.984 6.0 160.9-146.3 157.1 67.3 28.0 11.3 54 54 A Y E -H 187 0B 15 133,-1.7 133,-2.3 -2,-0.3 2,-0.3 -0.935 11.2-168.7-170.3 146.6 70.1 26.1 9.6 55 55 A N E > -H 186 0B 53 -2,-0.3 4,-2.6 131,-0.2 5,-0.5 -0.992 31.9-120.5-144.3 147.8 72.1 22.9 9.9 56 56 A S T 4 S+ 0 0 8 129,-3.1 130,-0.1 -2,-0.3 26,-0.1 0.493 108.1 51.7 -64.4 -9.1 75.2 21.6 8.0 57 57 A V T 4 S+ 0 0 100 128,-0.2 -1,-0.2 3,-0.1 129,-0.1 0.878 116.8 34.2 -94.2 -49.2 73.5 18.5 6.7 58 58 A A T 4 S- 0 0 63 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.853 88.4-157.4 -71.9 -35.1 70.4 20.0 5.1 59 59 A K < + 0 0 77 -4,-2.6 20,-1.9 1,-0.2 2,-0.4 0.891 45.1 129.8 57.3 43.5 72.3 23.1 4.1 60 60 A R E - J 0 78B 131 -5,-0.5 2,-0.6 18,-0.2 18,-0.2 -0.950 46.7-154.7-131.9 112.3 69.2 25.2 3.9 61 61 A L E + J 0 77B 2 16,-2.4 16,-1.6 -2,-0.4 2,-0.3 -0.763 25.2 178.3 -85.6 121.7 69.0 28.6 5.6 62 62 A S E -IJ 53 76B 34 -9,-2.3 -9,-2.4 -2,-0.6 2,-0.3 -0.933 14.1-174.0-128.7 152.2 65.4 29.3 6.3 63 63 A A E -IJ 52 75B 5 12,-2.3 12,-2.0 -2,-0.3 2,-0.4 -0.993 3.4-168.3-143.6 144.6 63.5 32.2 8.0 64 64 A V E -IJ 51 74B 41 -13,-2.5 -13,-3.3 -2,-0.3 2,-0.4 -1.000 2.1-166.7-137.2 135.2 59.9 32.7 8.9 65 65 A V E +IJ 50 73B 2 8,-2.5 8,-2.6 -2,-0.4 2,-0.3 -0.981 18.9 165.0-122.3 132.5 58.3 36.0 10.1 66 66 A S E -I 49 0B 41 -17,-2.8 -17,-2.8 -2,-0.4 2,-0.3 -0.932 24.4-153.8-144.7 167.4 54.8 36.0 11.6 67 67 A Y E > -I 48 0B 16 3,-0.3 3,-1.0 -2,-0.3 -19,-0.1 -0.937 46.2 -81.1-137.0 155.7 52.3 38.1 13.6 68 68 A T T 3 S+ 0 0 127 -21,-0.6 3,-0.1 -2,-0.3 -21,-0.0 -0.382 113.7 6.2 -61.3 132.1 49.4 36.9 15.8 69 69 A G T 3 S+ 0 0 91 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.869 111.1 96.1 63.4 41.8 46.4 36.0 13.7 70 70 A S S < S- 0 0 43 -3,-1.0 -3,-0.3 0, 0.0 -1,-0.2 -0.987 79.5 -90.0-155.1 158.7 48.0 36.4 10.2 71 71 A S - 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