==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 22-OCT-01 1K7U . COMPND 2 MOLECULE: AGGLUTININ ISOLECTIN 3; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITICUM AESTIVUM; . AUTHOR M.MURAKI,M.ISHIMURA,K.HARATA . 342 2 32 32 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 57.9 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 . 62 18.1 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 2.3 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 . 26 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 9 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 . 19 8 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 . 3 5 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 X 0 0 60 0, 0.0 23,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -30.6 15.6 42.6 -5.6 2 2 A R - 0 0 73 4,-0.2 2,-0.3 21,-0.1 21,-0.2 -0.548 360.0-149.0 -93.0 165.9 16.9 45.3 -3.4 3 3 A a > + 0 0 0 19,-2.4 3,-1.2 -2,-0.2 4,-0.3 -0.839 43.8 5.4-136.0 168.1 14.8 47.3 -0.9 4 4 A G B >>>S-A 10 0A 5 6,-1.8 5,-2.5 -2,-0.3 4,-0.9 -0.368 125.7 -8.7 66.2-141.2 14.2 50.6 0.9 5 5 A E T 345S+ 0 0 163 1,-0.3 3,-0.3 3,-0.2 -1,-0.3 0.834 145.6 47.1 -55.4 -36.2 16.5 53.4 -0.1 6 6 A Q T <45S+ 0 0 57 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.613 117.9 40.4 -81.5 -19.7 18.6 51.0 -2.1 7 7 A G T <45S- 0 0 0 -3,-0.8 -3,-0.2 -4,-0.3 -2,-0.2 0.324 118.9 -99.1-113.6 8.0 15.5 49.3 -3.8 8 8 A S T <5S- 0 0 80 -4,-0.9 -3,-0.2 -3,-0.3 3,-0.1 0.920 80.9 -49.2 75.1 51.3 13.4 52.5 -4.5 9 9 A G S - 0 0 0 4,-0.4 3,-0.7 -2,-0.3 170,-0.1 -0.593 34.4-115.0 -78.2 141.8 9.8 42.8 0.9 13 13 A P G > S+ 0 0 25 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.138 93.1 22.3 -71.2 165.8 6.9 40.2 0.8 14 14 A N G 3 S- 0 0 61 1,-0.3 -2,-0.0 213,-0.2 213,-0.0 0.671 130.1 -69.5 46.8 25.8 5.4 38.5 3.9 15 15 A N G < S+ 0 0 2 -3,-0.7 24,-2.9 1,-0.2 -1,-0.3 0.617 78.0 169.6 71.6 18.6 6.7 41.4 6.1 16 16 A L < - 0 0 24 -3,-2.4 -4,-0.4 22,-0.2 -1,-0.2 -0.316 39.4-109.9 -60.2 139.5 10.4 40.5 5.7 17 17 A c E -C 25 0C 0 8,-1.7 8,-1.5 21,-0.2 2,-0.9 -0.543 16.6-135.5 -75.3 142.2 12.5 43.3 7.2 18 18 A a E -C 24 0C 0 19,-2.4 18,-3.8 -2,-0.2 19,-0.4 -0.861 28.4-142.6 -99.5 98.3 14.5 45.5 4.8 19 19 A S > - 0 0 6 4,-2.0 3,-1.4 -2,-0.9 17,-0.3 0.171 31.9 -92.2 -49.5 175.7 17.9 45.8 6.6 20 20 A Q T 3 S+ 0 0 69 13,-0.4 -1,-0.1 9,-0.4 -14,-0.1 0.801 126.6 58.6 -66.2 -21.9 19.8 49.0 6.5 21 21 A Y T 3 S- 0 0 149 2,-0.1 -1,-0.3 -16,-0.1 -2,-0.1 0.119 120.7-102.7 -93.6 18.3 21.6 47.7 3.4 22 22 A G S < S+ 0 0 0 -3,-1.4 -19,-2.4 1,-0.2 2,-0.3 0.758 78.6 125.6 70.1 30.5 18.5 47.2 1.3 23 23 A Y - 0 0 114 -21,-0.2 -4,-2.0 7,-0.1 2,-0.4 -0.827 53.4-119.8-120.1 161.5 18.1 43.4 1.6 24 24 A b E +C 18 0C 36 -2,-0.3 2,-0.3 -23,-0.3 -6,-0.2 -0.820 50.9 94.8-103.0 138.1 15.3 41.1 2.8 25 25 A G E -C 17 0C 0 -8,-1.5 -8,-1.7 -2,-0.4 2,-0.3 -0.980 58.8 -93.1 171.6-176.1 15.2 38.6 5.6 26 26 A M + 0 0 5 301,-0.5 301,-3.1 -2,-0.3 3,-0.2 -0.897 69.5 64.3-123.2 148.5 14.3 37.9 9.2 27 27 A G S >> S- 0 0 4 -2,-0.3 4,-3.6 299,-0.3 3,-1.2 -0.441 96.7 -65.0 124.3 165.3 16.5 38.2 12.2 28 28 A G H 3> S+ 0 0 23 297,-0.4 4,-2.2 1,-0.3 -1,-0.2 0.869 126.3 67.5 -51.7 -36.3 18.3 40.9 14.1 29 29 A D H 34 S+ 0 0 87 1,-0.2 -9,-0.4 -3,-0.2 -1,-0.3 0.856 119.9 15.6 -52.4 -45.8 20.4 41.3 11.0 30 30 A Y H <4 S+ 0 0 19 -3,-1.2 -2,-0.2 -11,-0.2 5,-0.2 0.787 132.7 44.4-101.1 -32.8 17.6 42.7 8.9 31 31 A c H < S+ 0 0 0 -4,-3.6 10,-2.8 -14,-0.1 11,-0.5 0.700 104.2 62.7 -87.4 -22.0 15.0 43.6 11.6 32 32 A G S < S- 0 0 18 -4,-2.2 10,-0.3 -5,-0.5 3,-0.3 0.735 105.2 -3.5 -73.8-125.5 17.1 45.3 14.2 33 33 A K S S+ 0 0 163 1,-0.2 2,-0.6 -5,-0.2 -13,-0.4 -0.452 131.9 27.0 -67.3 141.9 19.1 48.5 13.9 34 34 A G S S+ 0 0 35 1,-0.2 -1,-0.2 -15,-0.1 -3,-0.1 -0.358 78.6 152.0 101.7 -57.8 18.9 49.8 10.3 35 35 A d - 0 0 24 -2,-0.6 -16,-0.2 -3,-0.3 -1,-0.2 0.369 22.5-174.5 -13.3 118.1 15.5 48.3 9.3 36 36 A Q - 0 0 57 -18,-3.8 2,-0.3 1,-0.3 -17,-0.1 0.739 63.4 -21.7 -96.8 -27.2 13.8 50.4 6.5 37 37 A N S S+ 0 0 6 -19,-0.4 -19,-2.4 18,-0.0 -1,-0.3 -0.959 95.1 63.5-168.4 175.5 10.4 48.6 6.3 38 38 A G S S- 0 0 0 -2,-0.3 2,-2.3 -21,-0.2 -21,-0.2 -0.573 109.6 -17.7 92.4-164.0 8.8 45.2 7.1 39 39 A A S S- 0 0 8 -24,-2.9 -22,-0.2 -2,-0.2 -1,-0.1 -0.241 81.3-174.9 -75.4 53.3 8.4 43.8 10.6 40 40 A d - 0 0 12 -2,-2.3 -8,-0.2 1,-0.1 -9,-0.1 -0.115 32.0-128.9 -49.7 145.9 11.1 46.1 12.0 41 41 A W S S+ 0 0 69 -10,-2.8 2,-0.7 -9,-0.2 -9,-0.1 0.863 103.1 53.2 -68.9 -30.1 11.9 45.5 15.7 42 42 A T S S- 0 0 114 -11,-0.5 -1,-0.2 -10,-0.3 2,-0.2 -0.897 97.1-128.6-108.2 107.7 11.4 49.1 16.4 43 43 A S - 0 0 18 -2,-0.7 25,-0.1 1,-0.1 -2,-0.1 -0.376 26.1-118.9 -62.5 127.1 8.0 50.1 15.1 44 44 A K - 0 0 40 -2,-0.2 23,-1.7 22,-0.1 2,-0.2 0.032 23.2-111.4 -57.7 169.4 8.1 53.1 12.9 45 45 A R B +D 66 0D 110 21,-0.2 2,-0.3 9,-0.1 21,-0.2 -0.624 38.7 179.6-104.1 156.0 6.3 56.4 13.5 46 46 A e >> - 0 0 0 19,-1.0 4,-1.7 -2,-0.2 3,-0.6 -0.953 32.2 -19.0-155.8 169.9 3.3 57.7 11.5 47 47 A G H 3>>S+ 0 0 19 -2,-0.3 5,-1.8 3,-0.3 4,-1.0 0.094 116.4 18.2 41.2-117.1 0.7 60.3 10.8 48 48 A S H >45S+ 0 0 87 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.934 135.8 37.3 -49.2 -59.9 -0.2 62.8 13.6 49 49 A Q H <45S+ 0 0 88 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.776 128.7 36.3 -68.3 -26.3 3.0 62.2 15.6 50 50 A A H 3<5S- 0 0 29 -4,-1.7 -3,-0.3 0, 0.0 -1,-0.2 0.229 110.2-110.8-113.0 13.9 5.1 61.8 12.5 51 51 A G T <<5S- 0 0 80 -4,-1.0 -3,-0.2 -3,-0.8 -4,-0.1 0.663 86.4 -37.9 67.7 17.6 3.5 64.4 10.1 52 52 A G S - 0 0 6 4,-0.3 3,-0.6 11,-0.1 2,-0.2 -0.440 35.4-137.4 -73.3 131.3 3.1 53.1 7.5 56 56 A P T 3 S+ 0 0 30 0, 0.0 3,-0.4 0, 0.0 -18,-0.1 -0.579 84.1 42.1 -85.2 167.9 4.8 51.1 4.8 57 57 A N T 3 S- 0 0 2 1,-0.2 -2,-0.0 -2,-0.2 -20,-0.0 0.555 126.4 -78.8 75.6 18.0 3.8 47.5 4.1 58 58 A N S < S+ 0 0 10 -3,-0.6 2,-0.2 1,-0.2 -1,-0.2 0.908 84.9 159.8 59.5 40.4 0.0 48.4 4.5 59 59 A H - 0 0 2 -3,-0.4 -4,-0.3 22,-0.1 2,-0.2 -0.621 43.0-107.1 -90.2 159.7 0.4 48.3 8.3 60 60 A g E -E 68 0E 0 8,-2.6 8,-2.4 -2,-0.2 2,-0.6 -0.556 23.3-137.4 -87.6 149.3 -1.9 50.1 10.6 61 61 A e E -EF 67 80E 4 19,-2.3 18,-2.5 6,-0.2 19,-0.8 -0.953 22.2-136.0-109.7 120.6 -0.9 53.2 12.3 62 62 A S > - 0 0 5 4,-2.1 3,-1.8 -2,-0.6 11,-0.1 -0.189 26.2-102.6 -74.5 167.1 -1.9 53.4 16.0 63 63 A Q T 3 S+ 0 0 88 13,-0.6 -1,-0.1 9,-0.4 14,-0.1 0.575 128.2 49.2 -63.1 -12.8 -3.4 56.3 17.8 64 64 A Y T 3 S- 0 0 160 2,-0.2 -1,-0.3 -16,-0.0 -18,-0.1 0.539 122.5-110.7-100.7 -10.3 -0.0 56.8 19.3 65 65 A G < + 0 0 0 -3,-1.8 -19,-1.0 1,-0.3 2,-0.4 0.920 69.2 130.6 85.1 47.1 1.6 56.6 15.8 66 66 A H B -D 45 0D 62 -21,-0.2 -4,-2.1 7,-0.1 2,-0.3 -0.987 55.6-114.7-128.2 142.9 3.6 53.3 15.7 67 67 A f E +E 61 0E 2 -23,-1.7 2,-0.3 -2,-0.4 -6,-0.2 -0.580 59.5 95.7 -84.9 136.3 3.3 50.9 12.8 68 68 A G E -E 60 0E 1 -8,-2.4 -8,-2.6 -2,-0.3 2,-0.3 -0.963 58.6 -97.6 177.2-165.9 1.9 47.4 13.3 69 69 A F B +G 284 0F 11 215,-1.5 215,-2.6 -2,-0.3 2,-0.2 -0.963 62.6 78.5-140.1 153.8 -1.1 45.1 13.2 70 70 A G S >>>S- 0 0 5 -2,-0.3 4,-3.6 213,-0.3 3,-0.9 -0.505 91.1 -70.7 125.3 163.8 -3.5 44.0 15.9 71 71 A A H 3>5S+ 0 0 40 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.909 133.6 56.3 -53.3 -45.1 -6.5 45.4 17.8 72 72 A E H 345S+ 0 0 95 2,-0.2 -9,-0.4 1,-0.2 -1,-0.3 0.841 123.0 27.3 -53.9 -35.2 -4.1 47.8 19.5 73 73 A Y H <45S+ 0 0 6 -3,-0.9 -2,-0.2 -11,-0.1 -1,-0.2 0.915 132.5 29.4 -90.5 -62.9 -3.0 48.9 16.0 74 74 A g H <5S+ 0 0 6 -4,-3.6 10,-2.6 -14,-0.1 11,-0.4 0.514 112.9 78.2 -80.3 -11.8 -5.8 48.4 13.6 75 75 A G S ><S- 0 0 2 6,-3.0 5,-1.6 -2,-0.3 4,-0.5 -0.338 105.0 -18.3 84.2-163.7 -15.1 61.4 -1.7 91 91 A S T > 5S+ 0 0 84 1,-0.2 2,-1.5 3,-0.2 3,-1.4 0.861 130.8 66.4 -47.2 -39.3 -17.8 64.0 -2.4 92 92 A Q T 3 5S+ 0 0 90 -3,-0.5 -3,-0.5 1,-0.3 -1,-0.2 -0.721 101.4 44.7 -87.1 81.1 -19.0 63.0 1.1 93 93 A A T 3 5S- 0 0 58 -2,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.000 131.8 -85.6 164.0 -12.3 -15.9 64.4 2.8 94 94 A G T < 5S- 0 0 70 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.2 0.769 95.5 -47.0 86.3 38.1 -15.8 67.6 0.9 95 95 A G S - 0 0 6 4,-2.5 3,-1.5 -2,-0.6 11,-0.1 -0.136 26.9-102.5 -68.7 171.7 -16.2 53.7 -3.7 106 106 A Q T 3 S+ 0 0 90 13,-0.4 -1,-0.1 9,-0.4 14,-0.1 0.863 124.2 62.0 -59.8 -37.6 -19.4 55.3 -5.0 107 107 A W T 3 S- 0 0 182 2,-0.1 -1,-0.3 1,-0.1 -18,-0.1 0.586 122.6-105.7 -68.0 -8.3 -20.5 55.0 -1.4 108 108 A G S < S+ 0 0 3 -3,-1.5 -19,-1.4 1,-0.3 2,-0.3 0.829 78.6 121.6 85.3 35.8 -17.7 57.2 -0.1 109 109 A Y B -H 88 0G 92 -21,-0.3 -4,-2.5 7,-0.1 -1,-0.3 -0.992 58.3-116.6-135.8 145.0 -15.5 54.6 1.4 110 110 A j E +I 104 0H 9 -23,-3.1 2,-0.3 -2,-0.3 -23,-0.3 -0.296 51.5 112.0 -77.7 153.2 -11.9 53.3 1.0 111 111 A G E -I 103 0H 0 -8,-1.2 -8,-2.3 131,-0.1 2,-0.3 -0.956 52.3-106.1 169.5-175.4 -10.9 49.9 -0.2 112 112 A L B +J 241 0I 6 129,-1.8 129,-1.0 -2,-0.3 2,-0.2 -0.998 68.2 48.6-141.6 136.4 -9.3 47.8 -2.9 113 113 A G S >>>S- 0 0 7 -2,-0.3 4,-3.3 127,-0.2 3,-2.0 -0.539 99.7 -48.2 121.7 169.8 -11.0 45.5 -5.4 114 114 A S H 3>5S+ 0 0 77 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.837 129.7 53.9 -40.1 -53.8 -14.0 45.6 -7.8 115 115 A E H 345S+ 0 0 101 1,-0.2 -9,-0.4 2,-0.2 -1,-0.3 0.708 122.4 27.9 -60.3 -24.1 -16.4 47.0 -5.3 116 116 A F H <45S+ 0 0 6 -3,-2.0 -2,-0.2 -11,-0.1 -1,-0.2 0.846 129.1 34.6-106.0 -44.5 -14.2 49.9 -4.5 117 117 A k H <5S+ 0 0 9 -4,-3.3 10,-1.5 -14,-0.1 11,-0.6 0.556 106.9 77.2 -85.2 -20.7 -12.1 50.6 -7.6 118 118 A G S >< - 0 0 24 -2,-2.3 3,-0.7 -24,-0.1 -8,-0.2 -0.321 24.4-156.6 -56.5 126.0 -9.8 53.2 -9.8 127 127 A S T 3 S+ 0 0 36 -10,-1.5 -9,-0.2 1,-0.2 -1,-0.1 0.239 73.5 94.6 -92.0 15.2 -9.9 50.6 -12.6 128 128 A T T 3 S- 0 0 40 -11,-0.6 -1,-0.2 -10,-0.3 -10,-0.1 0.764 78.1-149.2 -74.8 -22.2 -12.5 52.4 -14.6 129 129 A D < - 0 0 64 -3,-0.7 -2,-0.1 1,-0.2 -1,-0.0 0.881 16.4-168.0 54.3 50.6 -9.7 54.0 -16.6 130 130 A K - 0 0 103 -4,-0.1 23,-0.4 1,-0.1 -1,-0.2 -0.505 18.6-124.1 -73.8 128.7 -11.4 57.3 -17.4 131 131 A P - 0 0 68 0, 0.0 21,-0.2 0, 0.0 2,-0.2 -0.415 29.3-171.7 -68.4 147.6 -9.5 59.3 -20.0 132 132 A m + 0 0 2 19,-0.5 3,-0.3 16,-0.1 8,-0.2 -0.525 32.7 55.0-126.3-171.5 -8.4 62.8 -19.3 133 133 A G B > >S-K 139 0J 6 6,-2.8 5,-1.7 1,-0.2 3,-1.2 -0.354 99.0 -23.4 91.0-166.6 -6.9 65.6 -21.3 134 134 A K G > 5S+ 0 0 140 1,-0.3 3,-0.5 4,-0.2 2,-0.2 0.872 131.8 53.9 -55.2 -42.7 -7.5 67.6 -24.4 135 135 A D G 3 5S+ 0 0 139 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 -0.106 107.9 52.0 -87.7 35.0 -9.7 64.9 -25.9 136 136 A A G X 5S- 0 0 33 -3,-1.2 3,-0.9 -2,-0.2 -1,-0.2 -0.049 125.4 -80.2-162.9 45.7 -12.0 64.7 -22.8 137 137 A G T < 5S- 0 0 91 -3,-0.5 -3,-0.1 1,-0.2 -2,-0.1 0.330 87.9 -68.7 68.0 -5.3 -13.3 68.2 -21.9 138 138 A G T 3 S+ 0 0 49 1,-0.2 3,-3.1 -18,-0.1 -19,-0.1 -0.453 96.1 28.0 -92.7 171.3 -7.3 62.4 -9.3 143 143 A N T 3 S- 0 0 40 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 0.613 126.3 -80.1 52.4 13.5 -4.4 61.9 -6.8 144 144 A N T 3 S+ 0 0 117 -3,-0.4 24,-1.2 1,-0.1 -1,-0.3 0.737 79.1 171.3 67.7 22.1 -2.4 64.1 -9.1 145 145 A Y < - 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