==== 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 20-MAR-00 1EN2 . COMPND 2 MOLECULE: AGGLUTININ ISOLECTIN I/AGGLUTININ ISOLECTIN V/ AG . SOURCE 2 ORGANISM_SCIENTIFIC: URTICA DIOICA; . AUTHOR F.A.SAUL,P.ROVIRA,G.BOULOT,E.J.M.VAN DAMME,W.J.PEUMANS,P.TRU . 86 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4725.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 48 55.8 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 . 18 20.9 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 2.3 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 . 2 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 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 . 2 4 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 X 0 0 112 0, 0.0 23,-2.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 171.8 -1.0 2.9 13.2 2 2 A R B +A 23 0A 104 21,-0.2 2,-0.3 5,-0.1 21,-0.2 -0.472 360.0 154.9 -76.4 152.9 -3.1 6.0 13.9 3 3 A a > + 0 0 0 19,-1.7 4,-0.9 -2,-0.2 3,-0.4 -0.976 30.7 12.5-163.6 164.0 -3.4 7.6 17.4 4 4 A G T 4>S- 0 0 12 6,-2.2 5,-2.6 -2,-0.3 3,-0.4 -0.004 104.3 -19.8 67.8-155.5 -4.1 10.7 19.4 5 5 A S T 45S+ 0 0 84 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.833 140.2 36.4 -67.5 -31.5 -5.6 14.0 18.5 6 6 A Q T 45S+ 0 0 131 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.553 119.5 49.8 -93.9 -10.5 -4.9 13.8 14.7 7 7 A G T <5S- 0 0 15 -4,-0.9 3,-0.4 -3,-0.4 -3,-0.2 0.075 124.2 -77.3-123.8 27.2 -5.6 10.1 14.4 8 8 A G T 5S- 0 0 82 -4,-0.3 -3,-0.2 -3,-0.3 -4,-0.1 0.388 72.3 -80.9 101.2 -5.9 -8.9 9.3 16.1 9 9 A G S - 0 0 4 4,-0.5 3,-2.1 -2,-0.4 4,-0.2 -0.405 35.6 -96.5 -68.9 150.2 -0.7 2.8 20.2 13 13 A P G > S+ 0 0 87 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.226 114.3 17.8 -57.3 139.9 -0.2 -0.9 20.3 14 14 A G G 3 S- 0 0 39 1,-0.3 71,-1.8 69,-0.1 72,-0.1 0.602 125.8 -84.0 68.1 16.3 2.4 -1.8 22.9 15 15 A L G < S+ 0 0 37 -3,-2.1 -1,-0.3 69,-0.1 3,-0.1 0.828 79.8 166.9 54.7 38.1 1.9 1.6 24.5 16 16 A R < - 0 0 65 -3,-1.2 -4,-0.5 -4,-0.2 2,-0.2 -0.152 41.9 -74.6 -72.7 173.6 4.3 3.2 22.0 17 17 A c E -B 25 0B 0 8,-1.5 8,-2.1 -6,-0.1 2,-0.5 -0.485 35.8-147.6 -75.4 140.5 4.7 6.9 21.4 18 18 A a E -BC 24 37B 4 19,-2.3 18,-3.1 6,-0.2 19,-1.7 -0.933 18.2-143.2-104.5 120.5 2.0 8.9 19.5 19 19 A S E > - C 0 35B 3 4,-2.6 3,-2.0 -2,-0.5 16,-0.2 -0.318 28.5-103.2 -76.0 169.0 3.5 11.8 17.5 20 20 A I T 3 S+ 0 0 78 14,-2.5 15,-0.1 9,-0.3 -1,-0.1 0.667 122.2 62.7 -66.7 -12.9 1.9 15.2 17.0 21 21 A W T 3 S- 0 0 142 13,-0.3 -1,-0.3 2,-0.2 14,-0.1 0.506 120.3-107.5 -89.1 -2.5 1.0 13.9 13.5 22 22 A G S < S+ 0 0 0 -3,-2.0 -19,-1.7 1,-0.3 2,-0.3 0.816 77.5 120.1 86.6 32.8 -1.1 11.1 14.9 23 23 A W B -A 2 0A 117 -21,-0.2 -4,-2.6 -4,-0.1 2,-0.3 -0.953 56.8-121.7-130.0 154.1 1.1 8.1 14.2 24 24 A b E +B 18 0B 11 -23,-2.5 2,-0.3 -2,-0.3 -6,-0.2 -0.663 44.1 129.0 -95.9 141.2 2.7 5.5 16.4 25 25 A G E -B 17 0B 13 -8,-2.1 -8,-1.5 -2,-0.3 -13,-0.1 -0.971 51.7-124.3-173.4-176.7 6.4 4.7 16.7 26 26 A D S S+ 0 0 97 -2,-0.3 2,-0.2 -10,-0.2 -8,-0.1 0.252 75.5 84.2-129.9 12.1 9.5 4.2 18.8 27 27 A S S >> S- 0 0 48 -10,-0.1 4,-2.3 33,-0.1 3,-1.6 -0.576 92.8 -81.5-114.6 176.0 12.0 6.7 17.5 28 28 A E H 3> S+ 0 0 78 1,-0.3 4,-2.9 2,-0.2 6,-0.5 0.818 121.6 56.6 -48.3 -48.0 12.7 10.4 18.2 29 29 A P H 34 S+ 0 0 66 0, 0.0 -9,-0.3 0, 0.0 -1,-0.3 0.797 120.2 32.6 -58.4 -28.4 10.1 11.9 15.8 30 30 A Y H <4 S+ 0 0 76 -3,-1.6 6,-0.3 -11,-0.1 7,-0.3 0.798 132.3 28.6 -92.7 -33.8 7.4 10.0 17.7 31 31 A c H < S+ 0 0 1 -4,-2.3 9,-1.9 4,-0.1 10,-0.5 0.521 114.3 52.2-111.0 -15.7 8.8 9.9 21.2 32 32 A G S >< S- 0 0 21 -4,-2.9 3,-1.6 -5,-0.3 9,-0.1 0.431 116.8 -21.7 -94.9-127.3 11.0 13.1 21.6 33 33 A R T 3 S+ 0 0 202 1,-0.3 -5,-0.0 6,-0.0 -3,-0.0 0.820 136.3 47.5 -60.1 -32.7 10.3 16.7 20.9 34 34 A T T 3 S+ 0 0 25 -6,-0.5 -14,-2.5 -15,-0.0 2,-0.3 0.031 85.8 123.7-105.0 31.3 7.4 16.1 18.5 35 35 A d E < -C 19 0B 19 -3,-1.6 -16,-0.3 -16,-0.2 -4,-0.1 -0.709 37.5-175.6 -90.5 141.1 5.6 13.5 20.7 36 36 A E E + 0 0 72 -18,-3.1 2,-0.3 -2,-0.3 -17,-0.2 0.782 67.5 7.7 -98.9 -40.6 2.0 13.9 21.8 37 37 A N E S+C 18 0B 75 -19,-1.7 -19,-2.3 -7,-0.3 -1,-0.3 -0.997 117.3 20.2-149.1 153.8 1.5 11.0 24.2 38 38 A K S S+ 0 0 35 -2,-0.3 20,-0.2 -21,-0.2 -1,-0.2 0.941 84.1 175.1 52.1 56.8 3.4 8.2 25.9 39 39 A d > - 0 0 16 -3,-0.1 3,-1.9 18,-0.1 -1,-0.2 -0.492 46.8-113.2 -96.5 158.3 6.6 10.1 25.4 40 40 A W G > S+ 0 0 43 -9,-1.9 3,-1.3 1,-0.3 -8,-0.1 0.850 116.9 56.5 -55.8 -40.9 10.2 9.4 26.6 41 41 A S G 3 S+ 0 0 116 -10,-0.5 -1,-0.3 1,-0.3 18,-0.1 0.555 92.8 73.5 -71.0 -6.6 10.1 12.4 28.9 42 42 A G G < + 0 0 38 -3,-1.9 -1,-0.3 16,-0.2 -2,-0.2 0.383 62.2 125.5 -88.9 1.1 7.0 11.0 30.6 43 43 A E < - 0 0 35 -3,-1.3 15,-0.2 -4,-0.1 6,-0.1 -0.423 68.2-109.8 -61.1 137.5 8.8 8.3 32.6 44 44 A R > - 0 0 95 4,-0.5 3,-1.6 13,-0.5 -1,-0.1 -0.279 18.0-121.8 -64.8 147.3 8.0 8.6 36.3 45 45 A S T 3 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.839 116.1 51.2 -60.5 -28.2 10.8 9.7 38.6 46 46 A D T 3 S- 0 0 59 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.455 108.6-127.8 -88.4 -0.7 10.4 6.4 40.5 47 47 A H < + 0 0 86 -3,-1.6 23,-3.1 1,-0.2 -2,-0.1 0.547 56.2 148.8 66.5 11.1 10.5 4.4 37.3 48 48 A R B +D 69 0C 99 21,-0.2 -4,-0.5 16,-0.1 21,-0.3 -0.420 16.4 166.3 -73.1 151.2 7.3 2.5 38.1 49 49 A e + 0 0 6 19,-2.1 3,-0.3 -2,-0.1 5,-0.1 -0.853 22.8 71.3-148.0-176.5 5.1 1.4 35.1 50 50 A G S > >S- 0 0 2 6,-0.4 5,-2.4 -2,-0.3 3,-1.3 -0.263 93.5 -45.6 95.4-177.4 2.1 -0.9 34.4 51 51 A A G > 5S+ 0 0 78 1,-0.3 3,-1.5 3,-0.2 -1,-0.2 0.772 122.6 65.9 -65.3 -33.1 -1.5 -0.7 35.3 52 52 A A G 3 5S+ 0 0 90 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.724 110.8 36.7 -65.7 -23.9 -1.3 0.3 38.9 53 53 A V G < 5S- 0 0 28 -3,-1.3 -1,-0.3 3,-0.1 -2,-0.2 0.047 128.2 -91.4-116.5 22.6 0.2 3.7 38.0 54 54 A G T < 5 - 0 0 53 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.767 64.5 -76.1 78.6 31.4 -1.9 4.2 34.9 55 55 A N < - 0 0 58 -5,-2.4 -1,-0.2 1,-0.1 -4,-0.1 0.886 67.1-174.3 49.5 57.3 0.4 2.7 32.2 56 56 A P - 0 0 16 0, 0.0 -6,-0.4 0, 0.0 -1,-0.1 -0.260 24.0-103.6 -73.1 163.0 3.0 5.5 31.9 57 57 A P - 0 0 13 0, 0.0 -13,-0.5 0, 0.0 2,-0.3 -0.211 25.1-131.6 -74.8 173.3 5.7 5.4 29.3 58 58 A f - 0 0 0 4,-0.2 -16,-0.2 -20,-0.2 3,-0.1 -0.823 28.3-101.6-119.5 162.1 9.4 4.6 29.8 59 59 A G > - 0 0 10 -2,-0.3 3,-1.6 1,-0.2 -1,-0.2 0.049 62.5 -45.7 -72.3-173.6 12.4 6.6 28.5 60 60 A Q T 3 S+ 0 0 116 1,-0.3 -1,-0.2 -29,-0.1 3,-0.1 -0.311 125.8 0.7 -60.4 129.1 14.6 5.9 25.5 61 61 A D T 3 S+ 0 0 141 1,-0.2 12,-0.3 -3,-0.1 2,-0.3 0.764 108.0 115.9 63.0 27.6 15.7 2.3 25.1 62 62 A R < - 0 0 75 -3,-1.6 2,-0.3 10,-0.1 -1,-0.2 -0.934 46.2-162.3-124.3 150.8 13.8 1.3 28.2 63 63 A g E -E 71 0D 8 8,-2.6 8,-1.7 -2,-0.3 2,-0.7 -0.894 26.1-109.3-129.9 160.6 10.9 -1.1 28.6 64 64 A e E -EF 70 84D 0 20,-2.2 19,-3.1 -2,-0.3 20,-1.4 -0.832 38.2-144.9 -94.2 111.3 8.2 -1.8 31.1 65 65 A S E > - F 0 82D 3 4,-2.8 3,-1.9 -2,-0.7 17,-0.3 -0.255 24.9-109.1 -72.8 163.8 8.9 -5.2 32.8 66 66 A V T 3 S+ 0 0 71 15,-2.0 16,-0.1 1,-0.3 -1,-0.1 0.707 119.1 62.9 -65.5 -12.9 6.2 -7.6 33.9 67 67 A H T 3 S- 0 0 135 14,-0.4 -1,-0.3 2,-0.2 15,-0.1 0.482 122.1-103.5 -90.2 -5.8 7.2 -6.7 37.5 68 68 A G S < S+ 0 0 12 -3,-1.9 -19,-2.1 1,-0.3 2,-0.4 0.786 80.5 112.2 96.0 29.6 6.1 -3.1 36.9 69 69 A W B -D 48 0C 122 -21,-0.3 -4,-2.8 -4,-0.1 2,-0.3 -0.984 58.6-129.0-134.2 144.2 9.4 -1.1 36.5 70 70 A f E +E 64 0D 4 -23,-3.1 2,-0.3 -2,-0.4 -6,-0.2 -0.715 47.4 128.5 -81.1 147.2 11.0 0.7 33.6 71 71 A G E -E 63 0D 4 -8,-1.7 -8,-2.6 -2,-0.3 2,-0.3 -0.966 49.5 -95.1 179.5 175.0 14.6 -0.2 32.7 72 72 A G S S+ 0 0 41 -2,-0.3 3,-0.2 -10,-0.2 -10,-0.1 -0.689 70.3 33.5-107.4 156.9 17.0 -1.2 30.0 73 73 A G S >> S- 0 0 45 -12,-0.3 4,-2.4 -2,-0.3 3,-1.8 -0.157 100.0 -46.0 97.6 176.8 18.3 -4.6 28.9 74 74 A N H 3> S+ 0 0 99 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.760 124.4 63.1 -53.7 -38.9 17.0 -8.2 28.8 75 75 A D H 34 S+ 0 0 108 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.747 120.2 23.9 -65.9 -19.7 15.5 -8.3 32.3 76 76 A Y H <4 S+ 0 0 80 -3,-1.8 7,-0.3 -11,-0.1 -2,-0.2 0.687 131.1 37.5-109.4 -29.5 13.0 -5.5 31.3 77 77 A g H < S+ 0 0 31 -4,-2.4 2,-0.3 5,-0.1 -3,-0.2 0.593 85.1 99.2-107.5 -15.1 12.8 -5.8 27.5 78 78 A S S >X S- 0 0 43 -4,-1.7 3,-2.8 -5,-0.3 4,-0.8 -0.614 87.1 -84.0 -91.7 131.9 12.9 -9.5 26.4 79 79 A G G >4 S+ 0 0 65 -2,-0.3 3,-1.7 1,-0.3 7,-0.0 0.419 119.9 17.9 13.1-124.0 9.8 -11.5 25.6 80 80 A G G 34 S+ 0 0 72 1,-0.3 -1,-0.3 -15,-0.0 -14,-0.1 0.683 122.4 63.4 -5.3 -39.2 8.3 -12.9 28.9 81 81 A N G <4 S+ 0 0 50 -3,-2.8 -15,-2.0 -7,-0.2 2,-0.4 0.646 97.8 68.5 -78.8 -15.8 10.3 -10.3 30.9 82 82 A h E << -F 65 0D 14 -3,-1.7 -17,-0.3 -4,-0.8 -5,-0.1 -0.881 47.2-180.0-118.3 136.5 8.5 -7.4 29.3 83 83 A Q E S- 0 0 81 -19,-3.1 2,-0.3 -2,-0.4 -18,-0.2 0.817 72.3 -7.4 -99.0 -38.1 4.9 -6.1 29.4 84 84 A Y E S+F 64 0D 13 -20,-1.4 -20,-2.2 1,-0.1 -1,-0.3 -0.987 115.3 34.8-157.0 164.5 5.0 -3.1 27.1 85 85 A R 0 0 6 -71,-1.8 -1,-0.1 -2,-0.3 -70,-0.1 0.922 360.0 360.0 53.4 47.1 7.3 -0.9 25.0 86 86 A h 0 0 78 -23,-0.1 -1,-0.2 -3,-0.1 -8,-0.1 -0.444 360.0 360.0 -88.7 360.0 9.4 -4.0 24.4