==== 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 21-MAR-00 1ENM . 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) . 4754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 57.0 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 . 3 3.5 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 . 7 8.1 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 3 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 0 105 0, 0.0 23,-2.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-179.9 8.0 11.1 -3.0 2 2 A R B +A 23 0A 103 21,-0.2 2,-0.3 5,-0.1 21,-0.2 -0.425 360.0 151.7 -76.5 152.3 5.3 8.7 -1.7 3 3 A a > + 0 0 0 19,-1.5 4,-1.4 -2,-0.2 3,-0.4 -0.965 31.6 21.7-163.8 169.9 4.0 8.9 1.9 4 4 A G H >>S- 0 0 5 6,-2.0 5,-2.9 -2,-0.3 4,-1.0 -0.008 107.1 -23.4 64.6-160.6 1.1 8.2 4.3 5 5 A S H 45S+ 0 0 84 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.832 141.6 36.8 -61.8 -35.5 -1.9 6.0 3.8 6 6 A Q H 45S+ 0 0 127 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.709 118.7 50.8 -86.0 -25.0 -1.8 5.9 0.0 7 7 A G H <5S- 0 0 23 -4,-1.4 -3,-0.2 -3,-0.2 -2,-0.2 0.413 122.6 -86.3 -99.1 -1.1 2.0 5.9 -0.3 8 8 A G T <5 - 0 0 76 -4,-1.0 -3,-0.2 -5,-0.2 -4,-0.1 0.510 68.9 -77.1 109.2 4.6 3.1 3.1 2.1 9 9 A G S - 0 0 4 4,-0.5 3,-2.0 -2,-0.3 4,-0.2 -0.513 34.3-102.0 -73.3 145.6 8.3 12.9 4.1 13 13 A P G > S+ 0 0 90 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.210 111.9 19.6 -55.8 137.9 11.9 14.0 3.7 14 14 A G G 3 S- 0 0 41 1,-0.3 71,-1.4 -3,-0.1 72,-0.1 0.612 124.8 -86.9 70.9 15.1 12.4 17.4 5.5 15 15 A L G < S+ 0 0 36 -3,-2.0 -1,-0.3 69,-0.1 3,-0.1 0.791 77.4 164.8 53.8 39.3 9.2 16.7 7.4 16 16 A R < - 0 0 45 -3,-1.2 -4,-0.5 -4,-0.2 10,-0.2 -0.218 44.0 -79.9 -77.1 172.8 7.1 18.2 4.7 17 17 A c E -B 25 0B 0 8,-1.3 8,-2.2 -6,-0.1 2,-0.5 -0.413 35.0-140.8 -77.2 147.3 3.3 17.6 4.5 18 18 A a E -BC 24 37B 0 19,-2.4 18,-3.4 6,-0.2 19,-1.7 -0.929 19.6-141.3-105.2 124.9 1.8 14.4 3.1 19 19 A S E > - C 0 35B 3 4,-2.6 3,-2.1 -2,-0.5 16,-0.3 -0.341 27.2-104.6 -78.3 171.3 -1.3 14.9 1.0 20 20 A I T 3 S+ 0 0 78 14,-2.7 15,-0.1 9,-0.4 -14,-0.1 0.758 121.9 61.8 -68.8 -15.9 -4.3 12.6 1.0 21 21 A W T 3 S- 0 0 142 13,-0.3 -1,-0.3 2,-0.1 14,-0.1 0.503 121.1-107.2 -84.8 -0.4 -3.1 11.3 -2.4 22 22 A G S < S+ 0 0 0 -3,-2.1 -19,-1.5 1,-0.3 2,-0.3 0.808 78.0 120.3 82.8 32.1 0.1 10.1 -0.7 23 23 A W B -A 2 0A 123 -21,-0.2 -4,-2.6 -4,-0.1 2,-0.3 -0.959 57.1-122.8-124.7 153.7 2.7 12.6 -2.0 24 24 A b E +B 18 0B 15 -23,-2.3 2,-0.3 -2,-0.3 -6,-0.2 -0.651 43.9 133.1 -93.6 146.4 5.0 15.1 -0.2 25 25 A G E -B 17 0B 13 -8,-2.2 -8,-1.3 -2,-0.3 -13,-0.1 -0.961 50.0-124.8-172.0-175.0 5.0 18.8 -0.7 26 26 A D S S+ 0 0 98 -2,-0.3 2,-0.2 -10,-0.2 -8,-0.1 0.230 75.5 77.0-133.2 11.5 5.0 22.3 0.9 27 27 A S S >> S- 0 0 51 -10,-0.1 4,-1.9 33,-0.1 3,-1.7 -0.596 95.1 -73.0-117.4-176.1 2.0 24.2 -0.5 28 28 A E H 3> S+ 0 0 84 1,-0.3 4,-2.8 2,-0.2 6,-0.5 0.762 121.5 55.6 -45.7 -52.4 -1.8 24.2 0.0 29 29 A P H 34 S+ 0 0 60 0, 0.0 -9,-0.4 0, 0.0 -1,-0.3 0.773 119.9 34.0 -61.8 -19.4 -2.8 20.9 -1.6 30 30 A Y H <4 S+ 0 0 76 -3,-1.7 6,-0.4 -11,-0.1 7,-0.3 0.745 131.2 27.8 -98.3 -39.5 -0.4 19.0 0.6 31 31 A c H < S+ 0 0 2 -4,-1.9 9,-1.7 4,-0.2 10,-0.5 0.560 116.7 46.8-101.2 -22.3 -0.5 21.0 3.8 32 32 A G S >< S- 0 0 24 -4,-2.8 3,-1.7 -5,-0.3 9,-0.1 0.459 118.3 -17.0 -96.4-122.8 -3.9 22.5 4.0 33 33 A R T 3 S+ 0 0 208 1,-0.3 -5,-0.0 6,-0.0 -3,-0.0 0.853 137.5 44.0 -57.3 -38.1 -7.4 21.2 3.4 34 34 A T T 3 S+ 0 0 16 -6,-0.5 -14,-2.7 -15,-0.0 2,-0.3 0.068 87.7 125.6-101.0 28.7 -6.2 18.1 1.5 35 35 A d E < -C 19 0B 19 -3,-1.7 -16,-0.3 -16,-0.3 -4,-0.2 -0.655 36.0-177.1 -87.2 141.1 -3.4 17.3 3.9 36 36 A E E + 0 0 66 -18,-3.4 2,-0.3 -6,-0.4 -17,-0.2 0.837 65.7 2.8 -98.4 -51.4 -3.1 13.9 5.6 37 37 A N E S+C 18 0B 42 -19,-1.7 -19,-2.4 -7,-0.3 -1,-0.3 -0.970 117.4 25.1-141.9 162.1 -0.1 14.2 7.9 38 38 A K S S+ 0 0 53 -2,-0.3 20,-0.2 -21,-0.2 -1,-0.2 0.926 86.2 172.8 51.3 47.9 2.5 16.8 9.1 39 39 A d > - 0 0 17 -3,-0.2 3,-2.0 -22,-0.1 -1,-0.1 -0.449 49.7-112.1 -89.5 162.6 -0.1 19.5 8.2 40 40 A W G > S+ 0 0 40 -9,-1.7 3,-0.9 1,-0.3 20,-0.2 0.776 117.1 59.2 -58.6 -32.7 -0.1 23.2 8.9 41 41 A S G 3 S+ 0 0 118 -10,-0.5 -1,-0.3 1,-0.2 18,-0.1 0.523 92.9 72.8 -76.0 -3.7 -3.0 22.8 11.3 42 42 A G G < + 0 0 38 -3,-2.0 -1,-0.2 16,-0.2 -2,-0.2 0.325 60.4 128.6 -94.8 3.3 -0.8 20.5 13.4 43 43 A E < - 0 0 38 -3,-0.9 15,-0.2 1,-0.1 2,-0.1 -0.379 66.3-105.9 -59.6 139.5 1.6 23.0 15.0 44 44 A R > - 0 0 93 4,-0.5 3,-2.1 13,-0.5 -1,-0.1 -0.375 20.2-120.8 -64.5 150.1 1.9 22.6 18.8 45 45 A S T 3 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.721 116.2 52.6 -65.2 -18.7 0.1 25.3 20.9 46 46 A D T 3 S- 0 0 59 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.333 108.4-127.2 -96.4 4.5 3.6 26.0 22.4 47 47 A H < + 0 0 92 -3,-2.1 23,-3.0 1,-0.2 -2,-0.1 0.594 58.3 147.0 64.7 11.3 5.1 26.5 19.0 48 48 A R B +D 69 0C 102 21,-0.2 -4,-0.5 16,-0.1 2,-0.3 -0.364 18.3 167.9 -81.1 151.6 7.9 24.0 19.8 49 49 A e + 0 0 5 19,-2.2 3,-0.3 -3,-0.1 5,-0.1 -0.890 23.7 73.6-145.3-174.2 9.4 21.7 17.2 50 50 A G S > >S- 0 0 3 6,-0.4 5,-2.5 -2,-0.3 3,-1.3 -0.272 93.1 -50.7 91.3 175.0 12.4 19.4 16.6 51 51 A A G > 5S+ 0 0 76 1,-0.3 3,-1.5 3,-0.2 -1,-0.2 0.785 123.3 68.6 -63.6 -28.2 13.1 15.9 17.8 52 52 A A G 3 5S+ 0 0 93 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.791 111.0 35.1 -64.4 -24.6 12.5 16.6 21.5 53 53 A V G < 5S- 0 0 31 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.2 0.119 128.5 -92.1-116.8 23.0 8.8 17.0 20.8 54 54 A G T < 5 - 0 0 50 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.737 63.4 -76.3 77.9 31.5 8.6 14.4 18.1 55 55 A N < - 0 0 54 -5,-2.5 -1,-0.2 1,-0.1 -4,-0.1 0.872 68.2-176.4 50.1 52.0 9.2 16.5 14.9 56 56 A P - 0 0 14 0, 0.0 -6,-0.4 0, 0.0 -1,-0.1 -0.276 26.3-100.0 -69.6 161.5 5.8 18.1 14.7 57 57 A P - 0 0 12 0, 0.0 -13,-0.5 0, 0.0 2,-0.3 -0.181 25.8-132.6 -72.2 168.7 4.9 20.4 11.8 58 58 A f - 0 0 0 4,-0.2 -16,-0.2 -20,-0.2 3,-0.1 -0.801 29.9-102.5-114.5 164.1 4.9 24.2 11.8 59 59 A G > - 0 0 8 -2,-0.3 3,-2.1 1,-0.2 -1,-0.2 0.071 62.0 -42.9 -76.5-173.2 2.0 26.3 10.4 60 60 A Q T 3 S- 0 0 118 1,-0.3 -1,-0.2 -20,-0.2 3,-0.1 -0.307 127.3 -4.1 -62.4 125.5 1.7 28.1 7.1 61 61 A D T 3 S+ 0 0 131 1,-0.3 12,-0.4 -3,-0.1 2,-0.3 0.724 108.1 120.8 61.0 25.9 4.8 30.0 6.1 62 62 A R < - 0 0 79 -3,-2.1 2,-0.3 10,-0.1 -1,-0.3 -0.874 44.1-164.2-117.1 143.1 6.4 29.0 9.4 63 63 A g E -E 71 0D 7 8,-2.9 8,-1.9 -2,-0.3 2,-0.7 -0.894 25.6-110.5-124.3 161.2 9.6 27.0 9.7 64 64 A e E -EF 70 84D 0 20,-2.1 19,-3.2 -2,-0.3 20,-1.4 -0.849 36.3-146.1 -93.4 108.3 11.3 25.0 12.5 65 65 A S E > - F 0 82D 4 4,-2.5 3,-1.3 -2,-0.7 17,-0.3 -0.266 26.2-107.8 -67.4 166.0 14.5 26.8 13.6 66 66 A V T 3 S+ 0 0 69 15,-2.0 16,-0.1 1,-0.3 -1,-0.1 0.760 118.6 64.2 -67.1 -18.0 17.6 25.0 14.8 67 67 A H T 3 S- 0 0 142 14,-0.4 -1,-0.3 2,-0.2 15,-0.1 0.690 121.5-102.5 -78.0 -19.9 16.7 26.3 18.3 68 68 A G S < S+ 0 0 11 -3,-1.3 -19,-2.2 1,-0.3 2,-0.4 0.737 81.0 109.2 107.0 23.1 13.5 24.2 18.4 69 69 A W B -D 48 0C 117 -21,-0.3 -4,-2.5 -4,-0.1 -1,-0.3 -0.996 60.9-125.3-129.6 150.0 10.7 26.7 17.7 70 70 A f E +E 64 0D 4 -23,-3.0 2,-0.3 -2,-0.4 -6,-0.2 -0.587 47.4 136.3 -82.3 141.4 8.3 27.4 14.8 71 71 A G E -E 63 0D 3 -8,-1.9 -8,-2.9 -2,-0.2 2,-0.3 -0.971 46.8-101.2-169.8 175.2 8.3 30.9 13.4 72 72 A G S S+ 0 0 41 -2,-0.3 3,-0.2 -10,-0.2 -10,-0.1 -0.692 70.2 33.4-106.7 155.9 8.2 33.0 10.3 73 73 A G S >> S- 0 0 41 -12,-0.4 4,-2.9 -2,-0.3 3,-1.9 -0.121 100.8 -50.8 95.9 174.3 11.1 34.9 8.6 74 74 A N H 3> S+ 0 0 121 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.843 124.6 67.3 -55.3 -37.4 14.8 34.5 8.1 75 75 A D H 34 S+ 0 0 120 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.760 121.3 17.4 -53.9 -33.6 15.4 33.9 11.8 76 76 A Y H <4 S+ 0 0 78 -3,-1.9 7,-0.3 -11,-0.1 -2,-0.2 0.639 130.7 44.4-109.8 -27.8 13.5 30.6 11.5 77 77 A g H < S+ 0 0 33 -4,-2.9 -3,-0.2 5,-0.1 -2,-0.2 0.550 85.5 99.8-106.0 -6.5 13.5 29.8 7.8 78 78 A S S >X S- 0 0 52 -4,-1.8 3,-1.7 -5,-0.3 4,-1.6 -0.344 84.8 -83.4 -97.2 148.9 17.0 30.5 6.4 79 79 A G G >4 S+ 0 0 73 1,-0.3 3,-1.0 2,-0.2 7,-0.0 0.724 119.4 14.4 -8.0-110.7 19.8 28.2 5.6 80 80 A G G 34 S+ 0 0 70 1,-0.2 -1,-0.3 -15,-0.0 -14,-0.1 0.549 125.6 62.5 -9.7 -27.8 21.8 27.6 9.0 81 81 A N G <4 S+ 0 0 68 -3,-1.7 -15,-2.0 -7,-0.1 2,-0.4 0.609 96.4 67.6 -91.4 -17.7 18.9 29.0 11.0 82 82 A h E << +F 65 0D 12 -4,-1.6 -17,-0.3 -3,-1.0 -5,-0.1 -0.890 47.4 179.9-113.5 135.8 16.4 26.4 9.9 83 83 A Q E S- 0 0 83 -19,-3.2 2,-0.3 -2,-0.4 -18,-0.2 0.717 71.1 -5.5 -99.2 -34.4 16.2 22.7 10.6 84 84 A Y E S+F 64 0D 9 -20,-1.4 -20,-2.1 1,-0.1 -1,-0.3 -0.983 116.0 32.6-160.3 160.8 13.1 21.6 8.7 85 85 A R 0 0 6 -71,-1.4 -1,-0.1 -2,-0.3 -70,-0.1 0.904 360.0 360.0 53.4 43.9 10.2 22.9 6.7 86 86 A h 0 0 84 -23,-0.1 -1,-0.2 -72,-0.1 -8,-0.1 -0.466 360.0 360.0 -83.3 360.0 12.5 25.6 5.4