==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 28-FEB-00 1EIS . COMPND 2 MOLECULE: PROTEIN (AGGLUTININ ISOLECTIN VI/AGGLUTININ . SOURCE 2 ORGANISM_SCIENTIFIC: URTICA DIOICA; . AUTHOR F.A.SAUL,P.ROVIRA,G.BOULOT,E.J.M.VAN DAMME,W.J.PEUMANS, . 86 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4801.0 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 . 16 18.6 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 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 86 0, 0.0 23,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 172.5 -18.3 -14.8 -6.0 2 2 A R B +A 23 0A 96 21,-0.2 2,-0.3 5,-0.1 21,-0.2 -0.624 360.0 158.2 -76.0 157.6 -16.7 -13.6 -2.8 3 3 A a > + 0 0 0 19,-1.4 4,-1.0 -2,-0.3 3,-0.3 -0.956 29.5 21.8-163.5 166.5 -14.8 -10.3 -2.7 4 4 A G H >>>S- 0 0 4 6,-2.5 5,-2.6 -2,-0.3 3,-0.8 0.039 106.9 -25.0 70.1-160.3 -13.4 -7.6 -0.6 5 5 A S H 345S+ 0 0 84 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.852 140.8 40.9 -63.1 -33.9 -12.7 -7.5 3.2 6 6 A Q H 345S+ 0 0 128 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.673 118.0 48.4 -86.4 -16.7 -15.2 -10.3 4.0 7 7 A G H <<5S- 0 0 19 -4,-1.0 -3,-0.3 -3,-0.8 3,-0.2 0.291 126.0 -80.3-116.8 21.4 -14.3 -12.4 1.1 8 8 A G T <5S- 0 0 79 -4,-0.7 -3,-0.2 -3,-0.5 -4,-0.1 0.360 71.3 -78.0 108.9 -14.5 -10.5 -12.6 1.0 9 9 A G S - 0 0 5 4,-0.5 3,-1.7 -2,-0.3 -9,-0.1 -0.505 35.6-111.2 -73.0 141.7 -15.0 -9.2 -8.6 13 13 A P G > S+ 0 0 86 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.369 108.5 29.1 -62.9 137.8 -14.6 -10.8 -12.0 14 14 A G G 3 S- 0 0 50 1,-0.2 71,-0.8 -3,-0.1 -2,-0.1 0.500 123.9 -90.5 83.4 4.8 -16.2 -8.6 -14.6 15 15 A L G < S+ 0 0 29 -3,-1.7 -1,-0.2 1,-0.1 3,-0.1 0.806 76.6 161.8 59.7 33.1 -15.5 -5.5 -12.4 16 16 A R < - 0 0 76 -3,-0.9 -4,-0.5 1,-0.1 2,-0.2 -0.207 45.8 -82.2 -77.0 168.9 -18.8 -5.9 -10.6 17 17 A c E -B 25 0B 1 8,-1.7 8,-2.2 -6,-0.1 2,-0.6 -0.525 34.0-143.7 -75.5 143.5 -19.6 -4.2 -7.3 18 18 A a E -BC 24 37B 0 19,-2.4 18,-3.3 6,-0.2 19,-1.6 -0.940 18.3-142.0-106.5 123.2 -18.5 -5.9 -4.1 19 19 A S E > - C 0 35B 3 4,-2.9 3,-2.1 -2,-0.6 16,-0.3 -0.271 28.3-103.4 -75.0 169.7 -21.0 -5.4 -1.2 20 20 A I T 3 S+ 0 0 74 14,-2.5 -14,-0.1 1,-0.3 15,-0.1 0.706 122.4 61.0 -68.3 -11.6 -20.0 -4.8 2.4 21 21 A W T 3 S- 0 0 146 13,-0.3 -1,-0.3 2,-0.1 14,-0.1 0.390 121.1-107.0 -94.0 3.2 -20.9 -8.5 3.0 22 22 A G S < S+ 0 0 0 -3,-2.1 -19,-1.4 1,-0.3 2,-0.3 0.831 77.3 121.4 79.3 37.2 -18.2 -9.6 0.5 23 23 A W B -A 2 0A 122 -21,-0.2 -4,-2.9 -4,-0.1 2,-0.3 -0.930 56.5-122.9-128.6 153.8 -20.3 -10.8 -2.4 24 24 A b E +B 18 0B 9 -23,-1.9 2,-0.3 -2,-0.3 -6,-0.2 -0.728 44.8 130.9 -96.0 144.4 -20.3 -9.5 -6.0 25 25 A G E -B 17 0B 4 -8,-2.2 -8,-1.7 -2,-0.3 -13,-0.1 -0.975 51.0-125.1-172.3-177.5 -23.4 -8.2 -7.9 26 26 A D S S+ 0 0 110 -2,-0.3 2,-0.2 -10,-0.2 -8,-0.1 0.324 73.5 86.6-129.8 9.4 -24.8 -5.4 -10.0 27 27 A S S >> S- 0 0 52 -10,-0.1 4,-2.6 33,-0.1 3,-1.8 -0.465 92.1 -83.5-106.9 176.3 -27.9 -4.1 -8.2 28 28 A E H 3> S+ 0 0 78 1,-0.3 4,-2.6 2,-0.2 6,-0.6 0.832 122.7 56.5 -49.2 -47.1 -28.4 -1.5 -5.5 29 29 A P H 34 S+ 0 0 64 0, 0.0 -1,-0.3 0, 0.0 -4,-0.0 0.758 119.3 34.6 -58.2 -26.2 -27.6 -3.7 -2.5 30 30 A Y H <4 S+ 0 0 73 -3,-1.8 6,-0.3 -11,-0.1 -2,-0.2 0.807 131.4 27.4 -95.1 -33.1 -24.2 -4.4 -4.0 31 31 A c H < S+ 0 0 2 -4,-2.6 9,-1.9 4,-0.1 10,-0.5 0.504 114.0 56.5-111.4 -12.1 -23.4 -1.1 -5.8 32 32 A G S >< S- 0 0 22 -4,-2.6 3,-1.6 -5,-0.4 9,-0.2 0.454 116.3 -26.4 -95.6-128.0 -25.3 1.5 -3.8 33 33 A R T 3 S+ 0 0 219 1,-0.3 -5,-0.0 -5,-0.1 -3,-0.0 0.818 136.7 50.2 -64.0 -28.7 -25.2 2.5 -0.1 34 34 A T T 3 S+ 0 0 32 -6,-0.6 -14,-2.5 -15,-0.0 2,-0.3 0.040 86.5 120.0-103.1 33.0 -24.1 -1.0 1.0 35 35 A d E < -C 19 0B 19 -3,-1.6 -16,-0.3 -16,-0.3 -4,-0.1 -0.685 39.6-175.0 -97.2 143.2 -21.2 -1.2 -1.5 36 36 A E E + 0 0 70 -18,-3.3 2,-0.3 -6,-0.3 -17,-0.2 0.808 66.9 2.5-102.5 -42.7 -17.6 -1.6 -0.5 37 37 A N E S+C 18 0B 43 -19,-1.6 -19,-2.4 1,-0.2 -1,-0.3 -0.981 117.1 26.2-149.5 161.7 -15.7 -1.4 -3.8 38 38 A K S S+ 0 0 51 -2,-0.3 20,-0.2 -21,-0.2 -1,-0.2 0.917 86.6 170.4 52.0 49.7 -16.2 -0.8 -7.5 39 39 A d > - 0 0 14 -3,-0.1 3,-2.1 18,-0.1 -1,-0.2 -0.472 51.7-111.1 -94.2 164.3 -19.3 1.2 -6.5 40 40 A W G > S+ 0 0 47 -9,-1.9 3,-1.2 1,-0.3 -8,-0.1 0.844 117.8 57.9 -58.3 -35.9 -21.6 3.4 -8.5 41 41 A S G 3 S+ 0 0 114 -10,-0.5 -1,-0.3 1,-0.2 18,-0.1 0.565 92.3 72.4 -72.8 -4.2 -20.3 6.4 -6.6 42 42 A G G < + 0 0 36 -3,-2.1 -1,-0.2 16,-0.2 -2,-0.2 0.331 61.1 128.8 -94.2 0.9 -16.8 5.7 -7.7 43 43 A E < - 0 0 37 -3,-1.2 15,-0.2 13,-0.1 6,-0.1 -0.401 66.5-109.5 -59.5 138.6 -17.1 6.8 -11.3 44 44 A R > - 0 0 96 13,-0.5 3,-1.4 4,-0.5 -1,-0.1 -0.299 20.1-120.0 -63.9 149.7 -14.3 9.2 -12.2 45 45 A S T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.837 117.3 49.3 -65.5 -22.4 -15.3 12.8 -12.8 46 46 A D T 3 S- 0 0 65 2,-0.1 -1,-0.3 1,-0.0 24,-0.1 0.373 109.1-128.6 -94.3 3.2 -14.0 12.6 -16.4 47 47 A H < + 0 0 87 -3,-1.4 23,-3.2 1,-0.2 2,-0.1 0.624 53.5 151.2 66.7 13.0 -15.8 9.4 -16.9 48 48 A R B +D 69 0C 93 21,-0.2 -4,-0.5 16,-0.1 21,-0.3 -0.475 15.2 167.9 -74.2 155.4 -12.8 7.4 -18.1 49 49 A e + 0 0 4 19,-2.5 3,-0.2 -2,-0.1 5,-0.1 -0.823 23.3 72.4-151.0-178.9 -12.7 3.6 -17.5 50 50 A G S > >S- 0 0 3 6,-0.4 5,-2.1 -2,-0.2 3,-1.5 -0.190 94.0 -49.4 96.0 175.8 -10.7 0.5 -18.6 51 51 A A G > 5S+ 0 0 78 1,-0.3 3,-1.8 3,-0.2 -1,-0.2 0.779 122.6 69.4 -59.3 -35.9 -7.2 -0.7 -17.8 52 52 A A G 3 5S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.744 110.4 35.3 -57.8 -25.8 -5.4 2.6 -18.6 53 53 A V G < 5S- 0 0 29 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.072 128.1 -88.4-118.7 26.9 -7.0 4.1 -15.5 54 54 A G T < 5 - 0 0 54 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.762 66.7 -79.2 79.0 26.5 -7.1 1.1 -13.1 55 55 A N < - 0 0 51 -5,-2.1 -1,-0.2 1,-0.1 -4,-0.1 0.897 66.4-172.0 46.4 61.1 -10.5 -0.3 -14.2 56 56 A P - 0 0 14 0, 0.0 -6,-0.4 0, 0.0 -13,-0.1 -0.289 23.8-103.0 -74.0 160.6 -12.6 2.1 -12.2 57 57 A P - 0 0 11 0, 0.0 -13,-0.5 0, 0.0 2,-0.3 -0.254 25.4-131.9 -75.9 169.0 -16.4 1.5 -11.9 58 58 A f - 0 0 0 4,-0.2 -16,-0.2 -20,-0.2 3,-0.1 -0.774 29.7-101.3-113.3 160.2 -19.1 3.4 -13.8 59 59 A G > - 0 0 9 -2,-0.3 3,-2.1 1,-0.2 -1,-0.2 0.024 61.4 -45.2 -71.2-173.1 -22.2 4.8 -12.2 60 60 A Q T 3 S- 0 0 114 1,-0.3 -1,-0.2 -20,-0.1 3,-0.1 -0.305 126.5 -2.1 -61.1 133.5 -25.8 3.5 -12.1 61 61 A D T 3 S+ 0 0 136 1,-0.2 12,-0.4 -3,-0.1 2,-0.3 0.689 108.1 118.7 57.0 21.4 -27.0 2.2 -15.5 62 62 A R < - 0 0 80 -3,-2.1 2,-0.3 10,-0.1 10,-0.2 -0.885 46.2-160.6-114.2 152.7 -23.7 3.2 -17.1 63 63 A g E -E 71 0D 6 8,-2.9 8,-1.7 -2,-0.3 2,-0.7 -0.896 24.3-112.0-130.5 159.7 -21.3 0.8 -18.7 64 64 A e E -EF 70 84D 0 20,-2.5 19,-3.1 -2,-0.3 20,-1.4 -0.813 37.3-146.5 -94.1 114.9 -17.6 0.9 -19.7 65 65 A S E > - F 0 82D 2 4,-2.9 3,-1.9 -2,-0.7 17,-0.3 -0.336 26.1-107.7 -79.7 167.0 -17.3 1.0 -23.5 66 66 A V T 3 S+ 0 0 69 15,-3.1 16,-0.1 1,-0.3 -1,-0.1 0.745 118.9 64.3 -65.1 -13.5 -14.5 -0.7 -25.4 67 67 A H T 3 S- 0 0 143 14,-0.4 -1,-0.3 2,-0.2 15,-0.1 0.597 120.9-104.5 -85.9 -11.6 -13.2 2.8 -26.1 68 68 A G S < S+ 0 0 11 -3,-1.9 -19,-2.5 1,-0.3 2,-0.3 0.758 80.6 111.8 99.4 30.1 -12.6 3.4 -22.4 69 69 A W B -D 48 0C 116 -21,-0.3 -4,-2.9 -4,-0.1 -1,-0.3 -0.985 61.5-125.0-132.4 145.7 -15.4 5.7 -21.3 70 70 A f E +E 64 0D 5 -23,-3.2 2,-0.3 -2,-0.3 -6,-0.2 -0.642 48.2 136.7 -81.0 144.1 -18.4 5.3 -19.1 71 71 A G E -E 63 0D 4 -8,-1.7 -8,-2.9 -2,-0.3 2,-0.2 -0.975 44.7-104.4-173.4 173.1 -21.8 6.1 -20.6 72 72 A G + 0 0 38 -2,-0.3 3,-0.3 -10,-0.2 -10,-0.1 -0.640 70.0 26.6-108.4 165.8 -25.4 5.0 -21.0 73 73 A G S >> S- 0 0 46 -12,-0.4 4,-2.4 -2,-0.2 3,-1.1 -0.141 104.0 -42.0 82.0-170.7 -27.3 3.4 -23.9 74 74 A N H 3> S+ 0 0 113 1,-0.3 4,-1.0 2,-0.2 7,-0.2 0.708 124.3 63.8 -65.8 -39.8 -26.1 1.2 -26.8 75 75 A D H 34 S+ 0 0 122 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.597 122.8 24.3 -61.6 -16.2 -22.9 2.8 -27.8 76 76 A Y H <4 S+ 0 0 75 -3,-1.1 -2,-0.2 -11,-0.1 7,-0.2 0.677 131.2 30.1-116.8 -35.1 -21.7 1.9 -24.3 77 77 A g H < S+ 0 0 31 -4,-2.4 2,-0.2 5,-0.1 -3,-0.2 0.531 95.1 81.9-109.8 -23.9 -23.7 -1.1 -23.0 78 78 A S S >X S- 0 0 56 -4,-1.0 3,-2.2 -5,-0.3 4,-0.6 -0.615 90.3 -42.7 -92.9 167.2 -24.8 -3.3 -25.8 79 79 A G G >4 S- 0 0 76 1,-0.3 3,-0.9 -2,-0.2 -4,-0.0 0.189 119.7 -4.2 23.5-123.3 -23.2 -6.1 -27.8 80 80 A G G 34 S+ 0 0 69 1,-0.2 -1,-0.3 -15,-0.0 -14,-0.1 0.323 120.7 72.5 -83.2 8.7 -19.7 -5.5 -28.9 81 81 A N G <4 S+ 0 0 66 -3,-2.2 -15,-3.1 -7,-0.2 2,-0.4 0.600 84.1 76.6 -97.5 -10.7 -19.3 -2.0 -27.6 82 82 A h E << +F 65 0D 17 -3,-0.9 -17,-0.3 -4,-0.6 -5,-0.1 -0.841 44.5 176.8-108.5 135.7 -19.1 -2.8 -23.9 83 83 A Q E S+ 0 0 88 -19,-3.1 2,-0.3 -2,-0.4 -18,-0.2 0.710 70.2 1.6-103.5 -30.2 -16.1 -4.2 -22.1 84 84 A Y E S+F 64 0D 11 -20,-1.4 -20,-2.5 1,-0.2 -1,-0.4 -0.988 115.5 28.3-155.2 158.6 -17.4 -4.3 -18.5 85 85 A R 0 0 35 -71,-0.8 -1,-0.2 -2,-0.3 -2,-0.1 0.952 360.0 360.0 56.8 53.6 -20.5 -3.5 -16.3 86 86 A h 0 0 101 -23,-0.1 -1,-0.1 -3,-0.1 -8,-0.1 -0.411 360.0 360.0 -94.2 360.0 -22.7 -4.3 -19.3