==== 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 16-MAR-01 1H9P . COMPND 2 MOLECULE: SEED LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DIOCLEA GUIANENSIS (DUKE); . AUTHOR A.ROMERO,D.A.WAH,F.G.D.SOL,B.S.CAVADA,M.V.RAMOS, . 233 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 65.7 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 . 99 42.5 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 21 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 3 0 1 2 2 3 1 1 0 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 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 A 0 0 136 0, 0.0 2,-0.1 0, 0.0 229,-0.1 0.000 360.0 360.0 360.0 175.6 67.1 64.1 20.2 2 2 A D - 0 0 39 227,-0.2 2,-0.6 215,-0.1 210,-0.0 -0.392 360.0-123.3 -90.2 169.2 64.7 61.8 18.4 3 3 A T - 0 0 44 -2,-0.1 210,-0.8 2,-0.0 2,-0.4 -0.977 39.0-170.7-112.6 118.5 61.4 60.4 19.6 4 4 A I E +A 212 0A 1 -2,-0.6 26,-3.2 208,-0.2 2,-0.4 -0.944 25.5 175.5-126.9 136.7 61.6 56.6 19.3 5 5 A V E +AB 211 29A 3 206,-2.2 206,-2.8 -2,-0.4 2,-0.3 -0.996 27.8 163.4-126.4 131.5 59.2 53.7 19.6 6 6 A A E -AB 210 28A 2 22,-2.6 22,-3.3 -2,-0.4 2,-0.6 -0.996 43.2-138.8-155.0 158.0 60.6 50.2 18.8 7 7 A V E -AB 209 27A 3 202,-2.6 202,-1.8 -2,-0.3 2,-0.4 -0.979 35.9-157.9-112.7 114.7 60.3 46.5 19.0 8 8 A E E -AB 208 26A 0 18,-3.2 18,-2.1 -2,-0.6 2,-0.9 -0.784 21.9-157.2-101.6 138.9 63.8 45.1 19.7 9 9 A L E -AB 207 25A 0 198,-3.4 198,-1.7 -2,-0.4 2,-0.9 -0.872 27.0-166.6-107.9 87.3 65.1 41.7 19.0 10 10 A D E +AB 206 24A 0 14,-2.5 14,-3.4 -2,-0.9 196,-0.2 -0.715 16.2 176.4 -84.4 102.1 67.8 41.9 21.7 11 11 A S + 0 0 3 -2,-0.9 195,-0.2 194,-0.9 -1,-0.2 0.764 63.7 57.4 -79.0 -25.8 70.3 39.1 21.2 12 12 A Y S S- 0 0 59 193,-1.1 2,-0.7 12,-0.1 -1,-0.1 -0.922 79.8-132.2-114.8 123.9 72.8 40.0 23.9 13 13 A P - 0 0 37 0, 0.0 2,-0.9 0, 0.0 3,-0.1 -0.581 19.9-176.0 -74.5 108.4 71.8 40.4 27.5 14 14 A N > > + 0 0 17 -2,-0.7 3,-2.0 1,-0.2 5,-1.3 -0.658 6.5 175.9-102.8 72.2 73.3 43.6 28.9 15 15 A T G > 5S+ 0 0 90 -2,-0.9 3,-1.3 1,-0.3 -1,-0.2 0.751 70.6 69.7 -49.4 -29.5 72.1 43.1 32.5 16 16 A D G 3 5S+ 0 0 103 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.847 102.5 43.4 -61.5 -33.4 73.9 46.3 33.5 17 17 A I G < 5S- 0 0 6 -3,-2.0 -1,-0.3 15,-0.0 -2,-0.2 -0.154 132.2 -80.7-107.5 41.0 71.4 48.4 31.6 18 18 A G T < 5S+ 0 0 54 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.173 84.6 140.4 89.2 -19.6 68.2 46.7 32.6 19 19 A D < - 0 0 10 -5,-1.3 -1,-0.3 1,-0.1 14,-0.0 -0.225 56.3-112.3 -58.7 143.9 68.4 43.9 30.1 20 20 A P - 0 0 23 0, 0.0 2,-0.6 0, 0.0 -5,-0.1 -0.322 33.9-102.2 -71.8 164.9 67.2 40.5 31.3 21 21 A S S S+ 0 0 95 -7,-0.1 -2,-0.0 -6,-0.1 3,-0.0 -0.036 100.0 53.0 -81.4 36.3 69.9 37.8 31.6 22 22 A Y S S- 0 0 63 -2,-0.6 -8,-0.1 -10,-0.1 -10,-0.1 -0.985 100.2 -75.3-162.5 155.2 68.9 36.1 28.4 23 23 A P + 0 0 36 0, 0.0 17,-2.1 0, 0.0 2,-0.3 -0.225 64.9 163.6 -51.8 146.8 68.3 36.9 24.7 24 24 A H E -BC 10 39A 0 -14,-3.4 -14,-2.5 15,-0.2 2,-0.4 -0.986 40.9-127.3-161.5 168.2 64.9 38.7 24.3 25 25 A I E +BC 9 38A 0 13,-1.6 13,-1.6 -2,-0.3 2,-0.3 -0.940 37.1 172.3-119.6 145.0 62.5 40.9 22.4 26 26 A G E -BC 8 37A 0 -18,-2.1 -18,-3.2 -2,-0.4 2,-0.5 -0.970 34.9-117.4-151.1 166.5 61.1 44.0 23.9 27 27 A I E -BC 7 36A 0 9,-2.0 8,-2.6 -2,-0.3 9,-0.8 -0.937 30.0-162.8-108.4 122.0 59.0 47.1 23.3 28 28 A D E -B 6 0A 1 -22,-3.3 -22,-2.6 -2,-0.5 2,-0.6 -0.929 9.6-171.5-111.5 129.4 61.0 50.4 23.8 29 29 A I E S-B 5 0A 11 -2,-0.5 -24,-0.2 2,-0.3 4,-0.1 -0.873 78.5 -39.4-121.1 94.7 59.2 53.7 24.3 30 30 A K S S+ 0 0 120 -26,-3.2 2,-0.3 -2,-0.6 -25,-0.1 0.678 128.2 74.8 62.0 20.5 61.8 56.5 24.2 31 31 A S S S- 0 0 8 -27,-0.2 -2,-0.3 1,-0.1 4,-0.1 -0.922 76.2-135.7-163.7 135.9 64.2 54.4 26.1 32 32 A I S S+ 0 0 1 202,-0.6 2,-1.6 -2,-0.3 -1,-0.1 0.727 91.6 91.6 -61.5 -20.8 66.5 51.4 25.5 33 33 A R S S- 0 0 112 201,-0.5 -4,-0.3 -4,-0.1 -1,-0.1 -0.630 88.2-131.5 -79.9 90.6 65.1 50.2 28.8 34 34 A S - 0 0 26 -2,-1.6 -6,-0.2 1,-0.1 3,-0.1 -0.017 7.5-144.0 -44.4 139.3 62.2 48.1 27.4 35 35 A K S S+ 0 0 96 -8,-2.6 2,-0.3 1,-0.3 -1,-0.1 0.657 90.1 12.0 -79.9 -16.6 58.8 48.7 29.0 36 36 A S E S-C 27 0A 33 -9,-0.8 -9,-2.0 41,-0.1 -1,-0.3 -0.947 71.5-179.4-160.7 137.1 58.1 45.0 28.5 37 37 A T E -C 26 0A 54 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.898 6.7-164.5-137.2 166.0 60.3 42.1 27.5 38 38 A A E -C 25 0A 22 -13,-1.6 -13,-1.6 -2,-0.3 2,-0.2 -0.990 36.9 -90.0-151.7 147.8 59.9 38.3 26.9 39 39 A R E -C 24 0A 148 -2,-0.3 2,-0.6 -15,-0.2 -15,-0.2 -0.381 38.2-155.3 -62.8 128.0 62.3 35.4 26.6 40 40 A W - 0 0 3 -17,-2.1 2,-2.4 -2,-0.2 -1,-0.1 -0.905 9.9-150.0-112.0 108.8 63.5 34.9 23.0 41 41 A N - 0 0 111 -2,-0.6 -17,-0.1 30,-0.1 -2,-0.0 -0.512 29.7-147.3 -77.2 77.9 64.6 31.4 22.1 42 42 A M - 0 0 38 -2,-2.4 2,-0.3 1,-0.1 -1,-0.0 -0.174 13.9-158.9 -50.4 130.7 67.1 32.7 19.6 43 43 A Q > - 0 0 67 3,-0.1 3,-2.8 2,-0.0 153,-0.2 -0.480 14.3-161.3-112.4 58.4 67.6 30.4 16.6 44 44 A T T 3 S+ 0 0 63 -2,-0.3 153,-0.2 1,-0.3 3,-0.1 -0.113 76.9 22.7 -43.1 123.8 71.0 31.6 15.3 45 45 A G T 3 S+ 0 0 40 151,-2.8 2,-0.3 1,-0.3 -1,-0.3 0.190 104.3 96.5 102.4 -17.3 71.4 30.5 11.7 46 46 A K S < S- 0 0 132 -3,-2.8 150,-0.6 150,-0.2 2,-0.4 -0.782 81.6-103.1-107.0 151.5 67.7 30.0 10.9 47 47 A V E -H 195 0B 67 -2,-0.3 21,-0.6 148,-0.1 148,-0.2 -0.579 41.7-164.8 -75.3 123.7 65.3 32.5 9.2 48 48 A G E -HI 194 67B 0 146,-2.7 146,-2.0 -2,-0.4 2,-0.4 -0.612 9.2-144.5-105.9 168.1 63.1 34.2 11.7 49 49 A T E -HI 193 66B 50 17,-2.3 17,-2.3 144,-0.2 2,-0.4 -0.997 8.5-165.3-135.9 131.2 59.9 36.3 11.2 50 50 A A E -HI 192 65B 2 142,-3.1 142,-2.0 -2,-0.4 2,-0.4 -0.953 2.7-172.2-118.6 135.8 58.7 39.3 13.2 51 51 A H E -HI 191 64B 64 13,-2.1 13,-2.1 -2,-0.4 2,-0.4 -0.995 3.2-174.7-128.9 126.0 55.2 40.7 13.1 52 52 A I E +HI 190 63B 1 138,-3.3 138,-3.0 -2,-0.4 2,-0.3 -0.981 8.4 173.8-122.9 129.5 54.3 44.0 14.8 53 53 A S E +HI 189 62B 38 9,-1.7 9,-2.2 -2,-0.4 2,-0.3 -0.981 6.5 162.2-140.1 152.5 50.8 45.4 15.1 54 54 A Y E -H 188 0B 15 134,-2.1 134,-2.3 -2,-0.3 2,-0.3 -0.972 11.3-170.3-163.6 145.0 48.9 48.3 16.7 55 55 A N E > -H 187 0B 59 -2,-0.3 4,-2.5 132,-0.2 5,-0.5 -0.998 30.9-125.1-143.3 141.8 45.7 50.2 16.6 56 56 A S T 4 S+ 0 0 7 130,-3.6 131,-0.1 -2,-0.3 26,-0.1 0.564 106.3 53.8 -58.6 -14.7 44.6 53.4 18.3 57 57 A V T 4 S+ 0 0 99 129,-0.3 -1,-0.2 1,-0.1 130,-0.1 0.927 116.4 32.3 -87.7 -52.4 41.5 51.9 19.8 58 58 A A T 4 S- 0 0 65 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.785 89.9-156.4 -73.0 -27.4 42.9 48.9 21.6 59 59 A K < + 0 0 72 -4,-2.5 20,-1.6 1,-0.2 2,-0.4 0.917 44.7 131.5 49.9 52.9 46.1 50.9 22.3 60 60 A R E - J 0 78B 108 -5,-0.5 2,-0.5 18,-0.2 18,-0.2 -0.902 47.0-152.1-138.7 106.7 48.2 47.7 22.6 61 61 A L E + J 0 77B 2 16,-2.1 16,-2.0 -2,-0.4 2,-0.3 -0.664 26.2 178.7 -78.0 124.8 51.6 47.4 20.8 62 62 A S E -IJ 53 76B 31 -9,-2.2 -9,-1.7 -2,-0.5 2,-0.3 -0.889 14.4-178.7-128.4 160.0 52.3 43.8 20.1 63 63 A A E -IJ 52 75B 5 12,-1.6 12,-2.1 -2,-0.3 2,-0.4 -0.977 5.4-167.6-156.5 143.2 55.0 41.8 18.4 64 64 A V E -IJ 51 74B 41 -13,-2.1 -13,-2.1 -2,-0.3 2,-0.4 -1.000 3.3-164.1-137.3 135.2 55.7 38.1 17.8 65 65 A V E +IJ 50 73B 2 8,-2.9 8,-2.8 -2,-0.4 2,-0.3 -0.975 19.6 165.7-121.5 130.6 58.9 36.4 16.6 66 66 A S E -I 49 0B 34 -17,-2.3 -17,-2.3 -2,-0.4 2,-0.3 -0.907 25.4-153.2-141.5 168.6 58.9 32.9 15.2 67 67 A Y E > -IJ 48 70B 17 3,-0.7 3,-0.9 4,-0.3 -19,-0.1 -0.977 47.4 -79.6-139.6 146.2 60.9 30.3 13.2 68 68 A T T 3 S+ 0 0 131 -21,-0.6 3,-0.1 -2,-0.3 -22,-0.0 -0.113 111.1 2.6 -48.6 140.2 59.5 27.4 11.2 69 69 A G T 3 S+ 0 0 84 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.838 113.6 92.5 48.1 45.9 58.5 24.4 13.2 70 70 A S E < S-J 67 0B 42 -3,-0.9 -3,-0.7 0, 0.0 -1,-0.1 -0.941 81.9 -86.0-165.4 141.7 59.2 25.9 16.6 71 71 A S E - 0 0 111 -2,-0.3 -4,-0.3 -5,-0.1 2,-0.2 0.062 46.0-125.1 -44.3 155.6 57.3 27.9 19.3 72 72 A S E - 0 0 58 -6,-0.1 2,-0.4 -32,-0.0 -6,-0.2 -0.591 6.4-129.3-105.6 167.8 57.1 31.7 19.0 73 73 A T E -J 65 0B 15 -8,-2.8 -8,-2.9 -2,-0.2 2,-0.3 -0.957 27.6-174.2-116.6 134.0 58.0 34.6 21.3 74 74 A T E +J 64 0B 90 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.941 10.2 177.3-131.5 153.6 55.5 37.3 22.0 75 75 A V E -J 63 0B 7 -12,-2.1 -12,-1.6 -2,-0.3 2,-0.3 -0.966 3.3-179.1-155.1 137.3 55.5 40.7 23.8 76 76 A S E -J 62 0B 34 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.950 7.4-171.0-136.9 156.5 52.9 43.4 24.3 77 77 A Y E -J 61 0B 80 -16,-2.0 -16,-2.1 -2,-0.3 2,-0.5 -0.936 23.5-130.7-151.4 122.8 52.6 46.7 26.1 78 78 A D E +J 60 0B 99 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.635 50.3 134.5 -77.9 121.4 49.5 48.8 26.6 79 79 A V - 0 0 24 -20,-1.6 2,-1.1 -2,-0.5 -2,-0.1 -0.918 57.3-122.6-168.6 139.5 50.2 52.4 25.5 80 80 A D >> - 0 0 35 -2,-0.3 3,-2.4 1,-0.2 4,-0.5 -0.766 23.5-161.2 -87.4 100.4 48.5 55.1 23.5 81 81 A L H 3> S+ 0 0 5 -2,-1.1 4,-2.4 1,-0.3 3,-0.4 0.653 83.8 73.5 -59.1 -15.6 51.1 55.8 20.8 82 82 A N H 34 S+ 0 0 42 1,-0.2 -1,-0.3 2,-0.2 5,-0.0 0.730 93.5 54.9 -70.1 -20.3 49.5 59.2 20.1 83 83 A N H <4 S+ 0 0 125 -3,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.750 118.9 31.8 -81.0 -25.9 51.0 60.4 23.5 84 84 A V H < S+ 0 0 22 -4,-0.5 -2,-0.2 -3,-0.4 -3,-0.1 0.902 110.4 57.4 -96.8 -56.1 54.5 59.4 22.4 85 85 A L S < S- 0 0 12 -4,-2.4 4,-0.1 1,-0.1 2,-0.1 -0.466 78.0-118.0 -85.0 151.5 54.9 59.8 18.7 86 86 A P - 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