==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 16-SEP-03 1ULN . COMPND 2 MOLECULE: LECTIN-D; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYTOLACCA AMERICANA; . AUTHOR T.FUJII,M.HAYASHIDA,M.HAMASU,M.ISHIGURO,Y.HATA . 82 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 52.4 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 . 16 19.5 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 2.4 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 . 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 . 2 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.4 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 2 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 . 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 110 0, 0.0 7,-0.1 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 75.9 -24.4 18.8 0.9 2 2 A P - 0 0 58 0, 0.0 22,-0.2 0, 0.0 21,-0.1 -0.029 360.0-172.9 -44.2 137.1 -21.8 20.0 3.5 3 3 A E + 0 0 109 20,-3.2 2,-0.3 1,-0.2 21,-0.2 0.646 66.0 4.8-105.9 -23.8 -19.7 17.2 5.0 4 4 A a S S+ 0 0 0 19,-1.6 3,-0.5 16,-0.1 -1,-0.2 -0.950 91.2 34.4-154.2 170.5 -17.9 19.3 7.6 5 5 A G B > >S-A 11 0A 6 6,-2.5 5,-2.6 -2,-0.3 3,-1.8 -0.326 102.5 -22.8 86.1-163.5 -17.5 22.7 9.3 6 6 A E G > 5S+ 0 0 145 1,-0.3 3,-0.6 3,-0.2 -1,-0.2 0.770 136.2 52.4 -58.9 -29.8 -19.8 25.5 10.2 7 7 A R G 3 5S+ 0 0 139 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.472 110.6 49.2 -87.2 -2.5 -22.3 24.4 7.6 8 8 A A G X 5S- 0 0 11 -3,-1.8 3,-1.3 3,-0.1 -3,-0.2 -0.154 122.3 -94.6-128.6 38.1 -22.3 20.9 9.0 9 9 A S T < 5S- 0 0 123 -3,-0.6 -3,-0.2 1,-0.3 -2,-0.1 0.804 82.9 -56.0 55.4 34.5 -22.8 21.5 12.7 10 10 A G T 3 - 0 0 6 4,-0.5 3,-0.6 -2,-0.3 6,-0.1 -0.350 34.3-113.8 -71.1 144.4 -13.6 15.0 8.5 14 14 A P G > S+ 0 0 90 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.330 99.3 27.3 -71.9 160.1 -12.8 11.3 8.7 15 15 A N G 3 S- 0 0 98 1,-0.3 40,-0.1 2,-0.0 -2,-0.1 0.850 129.3 -76.5 55.2 36.3 -9.2 10.1 8.3 16 16 A G G < S+ 0 0 16 -3,-0.6 -1,-0.3 1,-0.1 -3,-0.1 0.618 82.1 165.5 52.3 20.6 -8.0 13.5 9.6 17 17 A K < - 0 0 80 -3,-1.6 -4,-0.5 1,-0.1 2,-0.2 -0.215 41.0 -98.7 -67.6 156.2 -8.8 15.2 6.3 18 18 A c E -B 26 0B 0 8,-2.2 8,-1.9 22,-0.1 2,-0.8 -0.516 26.8-134.0 -76.1 139.7 -9.0 19.0 5.9 19 19 A a E -BC 25 38B 0 19,-2.3 18,-3.2 -2,-0.2 19,-0.6 -0.846 26.0-139.4 -97.5 111.7 -12.3 20.7 6.0 20 20 A S > - 0 0 4 4,-3.1 3,-1.9 -2,-0.8 11,-0.2 -0.021 26.9-100.8 -63.8 168.7 -12.5 23.3 3.1 21 21 A Q T 3 S+ 0 0 87 9,-0.5 -1,-0.1 13,-0.4 14,-0.1 0.719 125.8 53.1 -62.3 -20.6 -14.0 26.8 3.3 22 22 A W T 3 S- 0 0 130 2,-0.1 -1,-0.3 -17,-0.0 -18,-0.1 0.368 123.8-101.9 -97.3 3.0 -17.1 25.2 1.6 23 23 A G S < S+ 0 0 0 -3,-1.9 -20,-3.2 1,-0.3 -19,-1.6 0.803 78.1 128.9 83.3 30.6 -17.5 22.4 4.1 24 24 A Y - 0 0 94 -21,-0.2 -4,-3.1 -22,-0.2 2,-0.4 -0.898 54.4-119.3-121.0 151.0 -15.9 19.6 2.1 25 25 A b E +B 19 0B 26 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.718 48.6 120.2 -93.8 133.8 -13.3 17.0 3.0 26 26 A G E -B 18 0B 7 -8,-1.9 -8,-2.2 -2,-0.4 -13,-0.1 -0.971 54.3-126.4-169.9-179.5 -9.9 16.7 1.2 27 27 A T S S+ 0 0 40 -2,-0.3 2,-0.1 -10,-0.2 -8,-0.1 0.348 76.1 88.7-124.8 2.1 -6.1 16.7 1.4 28 28 A T S >> S- 0 0 77 -10,-0.1 4,-2.9 1,-0.0 3,-2.1 -0.421 95.0 -86.8 -96.5 175.9 -5.2 19.2 -1.4 29 29 A D H 3> S+ 0 0 121 1,-0.3 4,-2.1 2,-0.2 7,-0.1 0.801 123.7 62.0 -52.0 -35.9 -4.8 23.0 -1.3 30 30 A N H 34 S+ 0 0 119 1,-0.2 -9,-0.5 2,-0.2 -1,-0.3 0.759 118.7 29.1 -64.3 -21.4 -8.4 23.6 -1.9 31 31 A Y H <4 S+ 0 0 73 -3,-2.1 -2,-0.2 -11,-0.2 6,-0.2 0.800 131.3 32.6-104.3 -41.9 -9.2 21.8 1.3 32 32 A c H < S+ 0 0 26 -4,-2.9 -3,-0.2 -14,-0.1 -2,-0.2 0.644 111.0 68.1 -92.6 -18.3 -6.1 22.4 3.5 33 33 A G S >< S- 0 0 18 -4,-2.1 3,-2.6 -5,-0.4 -3,-0.1 0.157 99.2 -5.7 -84.5-156.1 -5.2 25.9 2.3 34 34 A Q T 3 S+ 0 0 178 1,-0.3 -13,-0.4 -14,-0.1 -1,-0.2 0.021 132.3 18.2 -36.2 125.9 -6.8 29.3 2.6 35 35 A G T 3 S+ 0 0 39 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.250 81.2 152.7 93.2 -13.1 -10.2 29.0 4.2 36 36 A d < - 0 0 26 -3,-2.6 -1,-0.3 -7,-0.1 -16,-0.2 -0.292 26.9-165.6 -53.9 128.8 -9.6 25.5 5.8 37 37 A Q - 0 0 63 -18,-3.2 2,-0.3 1,-0.2 -1,-0.1 0.710 59.2 -0.9 -92.2 -26.0 -11.8 25.3 8.9 38 38 A S B S+C 19 0B 15 -19,-0.6 -19,-2.3 1,-0.1 -1,-0.2 -0.988 116.0 23.5-164.1 157.7 -10.4 22.3 10.7 39 39 A Q > + 0 0 49 -2,-0.3 3,-0.8 -21,-0.2 -1,-0.1 0.860 64.4 152.6 50.0 41.0 -7.8 19.5 10.6 40 40 A d T 3 + 0 0 57 1,-0.3 3,-0.3 -22,-0.1 -1,-0.1 0.522 58.8 73.7 -76.1 -4.0 -5.8 21.7 8.2 41 41 A D T > + 0 0 51 1,-0.2 3,-2.1 -24,-0.1 -1,-0.3 -0.023 53.1 128.5 -99.3 27.5 -2.7 19.9 9.6 42 42 A Y T < S+ 0 0 5 -3,-0.8 13,-0.4 1,-0.3 -1,-0.2 0.850 79.2 43.6 -51.6 -38.0 -3.3 16.7 7.7 43 43 A W T 3 S+ 0 0 98 -3,-0.3 23,-2.6 11,-0.1 -1,-0.3 0.433 105.5 78.9 -89.9 1.6 0.2 16.7 6.3 44 44 A R B < +D 65 0C 62 -3,-2.1 2,-0.3 21,-0.2 21,-0.2 -0.676 55.9 157.2-106.1 164.1 1.7 17.7 9.7 45 45 A e + 0 0 0 19,-1.1 3,-0.5 -2,-0.2 8,-0.2 -0.984 22.8 44.0-170.8 173.1 2.5 15.5 12.6 46 46 A G B > >S-E 52 0D 5 6,-2.0 5,-2.5 -2,-0.3 3,-2.3 -0.353 97.7 -6.7 86.1-159.8 4.4 14.8 15.8 47 47 A R T 3 5S+ 0 0 147 1,-0.3 3,-0.5 4,-0.2 -1,-0.2 0.745 131.9 46.7 -48.6 -37.2 5.5 16.8 18.8 48 48 A D T 3 5S+ 0 0 112 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.387 111.6 53.6 -91.8 5.2 4.2 20.2 17.6 49 49 A F T X 5S- 0 0 51 -3,-2.3 3,-1.9 3,-0.1 -3,-0.3 -0.312 127.0 -81.2-134.4 52.1 0.9 18.8 16.4 50 50 A G T 3 5S- 0 0 87 -3,-0.5 -3,-0.2 1,-0.3 3,-0.1 0.654 79.1 -73.0 61.2 17.5 -0.6 17.1 19.5 51 51 A G T 3 S+ 0 0 57 -13,-0.4 3,-1.9 1,-0.2 -1,-0.1 -0.316 90.9 32.8 -82.5 171.5 -2.6 8.7 7.8 56 56 A E T 3 S- 0 0 142 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.0 0.835 129.2 -71.6 47.4 42.0 -1.8 6.0 5.2 57 57 A D T 3 S+ 0 0 101 -3,-0.4 -1,-0.3 1,-0.2 2,-0.1 0.712 83.2 165.6 50.7 28.9 1.2 4.7 7.3 58 58 A M < - 0 0 5 -3,-1.9 -4,-0.5 1,-0.1 10,-0.2 -0.470 37.5-117.0 -74.6 144.6 3.2 7.8 6.4 59 59 A g E -F 67 0E 6 8,-2.6 8,-2.3 -2,-0.1 2,-0.7 -0.491 21.3-128.2 -77.0 151.3 6.4 8.5 8.5 60 60 A e E -FG 66 79E 0 19,-2.0 18,-3.6 6,-0.2 19,-0.6 -0.903 26.2-139.6-104.3 113.2 6.5 11.7 10.5 61 61 A S > - 0 0 7 4,-2.9 3,-2.1 -2,-0.7 11,-0.2 -0.104 25.8-104.1 -66.8 167.2 9.7 13.6 9.8 62 62 A K T 3 S+ 0 0 56 9,-0.6 -1,-0.1 13,-0.4 10,-0.1 0.678 124.5 53.5 -65.6 -16.0 11.7 15.4 12.4 63 63 A Y T 3 S- 0 0 153 2,-0.1 -1,-0.3 -17,-0.0 -2,-0.1 0.236 124.9-101.4-102.6 12.1 10.2 18.6 11.1 64 64 A G S < S+ 0 0 1 -3,-2.1 -19,-1.1 1,-0.2 2,-0.4 0.837 75.6 136.1 75.2 34.6 6.6 17.4 11.5 65 65 A W B -D 44 0C 124 -21,-0.2 -4,-2.9 7,-0.1 2,-0.4 -0.951 51.3-128.5-118.7 137.2 5.9 16.5 7.9 66 66 A f E +F 60 0E 8 -23,-2.6 2,-0.3 -2,-0.4 -6,-0.2 -0.671 52.9 114.8 -82.9 127.8 4.1 13.3 6.7 67 67 A G E -F 59 0E 7 -8,-2.3 -8,-2.6 -2,-0.4 -13,-0.1 -0.965 62.2-116.6-171.5-174.3 5.9 11.4 4.0 68 68 A Y S S+ 0 0 144 -2,-0.3 -8,-0.1 -10,-0.2 -1,-0.0 0.368 70.7 104.5-123.3 1.2 7.7 8.2 2.9 69 69 A S S >> S- 0 0 45 -10,-0.1 4,-3.0 1,-0.1 3,-1.1 -0.205 85.3-101.8 -81.2 174.2 11.3 9.3 2.1 70 70 A D H 3> S+ 0 0 95 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.783 124.5 60.7 -65.3 -25.1 14.4 8.8 4.1 71 71 A D H 34 S+ 0 0 106 1,-0.2 -9,-0.6 2,-0.2 -1,-0.3 0.742 114.7 34.5 -72.7 -21.6 14.0 12.4 5.2 72 72 A H H <4 S+ 0 0 43 -3,-1.1 6,-0.3 -11,-0.2 -2,-0.2 0.780 126.1 37.3 -97.8 -37.1 10.7 11.4 6.7 73 73 A g H < S+ 0 0 24 -4,-3.0 -3,-0.2 -14,-0.1 -2,-0.2 0.598 114.3 37.1 -97.3 -13.1 11.5 7.9 7.9 74 74 A E S >< S+ 0 0 136 -4,-1.8 3,-2.9 1,-0.2 2,-0.1 0.488 97.3 38.2-108.6-112.7 15.0 7.8 9.2 75 75 A D T 3 S- 0 0 132 1,-0.3 -13,-0.4 -5,-0.2 -1,-0.2 -0.172 134.0 -6.0 -46.4 106.6 17.1 10.3 11.1 76 76 A G T 3 S+ 0 0 41 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.507 85.8 164.5 86.6 3.8 14.8 11.9 13.6 77 77 A h < - 0 0 23 -3,-2.9 -1,-0.2 1,-0.1 -16,-0.2 -0.285 25.0-156.9 -55.5 138.4 11.6 10.3 12.4 78 78 A Q - 0 0 60 -18,-3.6 2,-0.3 -6,-0.3 -1,-0.1 0.692 61.0 -8.3 -94.3 -23.1 8.8 10.7 15.0 79 79 A S B S+G 60 0E 22 -19,-0.6 -19,-2.0 1,-0.1 -1,-0.3 -0.972 114.7 24.2-171.0 157.9 6.5 7.9 14.2 80 80 A Q + 0 0 62 -2,-0.3 -1,-0.1 -21,-0.2 -2,-0.1 0.900 66.8 152.3 46.0 51.5 5.5 5.1 11.8 81 81 A h 0 0 39 -22,-0.1 -1,-0.1 1,-0.1 -22,-0.1 0.604 360.0 360.0 -84.9 -16.1 9.1 5.0 10.6 82 82 A D 0 0 184 -8,-0.0 -1,-0.1 0, 0.0 -8,-0.0 -0.814 360.0 360.0 -94.9 360.0 9.1 1.4 9.5