==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 11-DEC-99 1DLP . COMPND 2 MOLECULE: LECTIN SCAFET PRECURSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HYACINTHOIDES HISPANICA; . AUTHOR L.M.WRIGHT,C.D.REYNOLDS,P.J.RIZKALLAH,A.K.ALLEN, . 1358 17 12 10 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 690 50.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 366 27.0 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 . 40 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 20 1.5 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 . 13 1.0 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 . 152 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 0.8 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+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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 34 21 22 15 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 ANTIPARALLEL BRIDGES PER LADDER . 1 9 22 1 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 N 0 0 53 0, 0.0 23,-1.7 0, 0.0 122,-0.1 0.000 360.0 360.0 360.0-178.3 65.2 76.9 35.1 2 2 A N + 0 0 18 21,-0.2 92,-0.9 27,-0.0 2,-0.2 0.371 360.0 80.5-151.3 -8.6 61.9 78.6 35.0 3 3 A I - 0 0 4 90,-0.2 2,-0.3 10,-0.1 90,-0.2 -0.449 58.8-151.2 -70.0 177.1 60.4 78.0 31.6 4 4 A L - 0 0 0 -2,-0.2 88,-0.5 10,-0.1 11,-0.1 -0.827 15.2-138.9-144.6 128.8 58.6 74.8 30.5 5 5 A F B -A 91 0A 10 9,-1.2 57,-0.4 -2,-0.3 2,-0.2 -0.322 24.4-129.8 -93.1 143.5 58.8 73.9 26.7 6 6 A G - 0 0 4 84,-0.7 57,-0.2 2,-0.3 58,-0.1 -0.683 45.1 -61.5-100.8-160.6 55.5 72.6 25.5 7 7 A L S S+ 0 0 9 55,-2.3 57,-0.1 877,-0.2 2,-0.1 0.567 104.6 84.9 -51.0 -54.5 54.9 69.4 23.5 8 8 A S S S- 0 0 36 80,-0.4 -2,-0.3 55,-0.2 2,-0.2 -0.105 73.3-100.7 -73.3 135.6 57.0 70.2 20.3 9 9 A H S S+ 0 0 124 -2,-0.1 2,-4.4 2,-0.1 -1,-0.1 -0.172 72.0 109.5 63.7 -91.4 60.6 69.5 20.0 10 10 A E S S- 0 0 50 1,-0.2 104,-0.1 -2,-0.2 213,-0.1 -0.135 88.3-101.9 -43.4 62.3 64.2 70.3 20.0 11 11 A G S S+ 0 0 28 -2,-4.4 2,-0.6 104,-0.0 -1,-0.2 0.547 70.4 153.0 0.6 67.3 64.5 68.5 23.3 12 12 A S - 0 0 8 2,-0.1 -7,-0.1 209,-0.1 207,-0.0 -0.876 44.3-118.2-113.8 132.2 64.6 71.6 25.2 13 13 A H S S+ 0 0 84 -2,-0.6 2,-0.3 105,-0.2 -10,-0.1 -0.982 82.4 62.8-125.3 174.1 63.2 70.4 28.3 14 14 A P + 0 0 46 0, 0.0 -9,-1.2 0, 0.0 3,-0.1 0.228 43.5 162.1 -19.8 155.9 61.0 70.3 30.6 15 15 A Q S S+ 0 0 14 1,-0.3 47,-0.8 -2,-0.3 2,-0.3 0.229 73.9 31.1-144.3 -2.8 58.3 69.2 28.2 16 16 A T - 0 0 14 45,-0.2 2,-0.6 -10,-0.1 -1,-0.3 -0.969 58.8-151.2-156.8 145.2 56.6 68.2 31.6 17 17 A L - 0 0 4 -2,-0.3 43,-2.4 -3,-0.1 2,-0.3 -0.989 32.3-168.5-121.3 123.3 56.2 68.9 35.2 18 18 A H > - 0 0 30 -2,-0.6 2,-3.6 41,-0.2 3,-2.8 -0.672 40.9 -50.1-109.2 166.2 55.4 65.9 37.2 19 19 A A T 3 S+ 0 0 45 39,-0.3 17,-0.1 -2,-0.3 39,-0.1 0.356 124.5 3.8 -22.1 14.3 54.3 65.1 40.4 20 20 A A T 3 S+ 0 0 72 -2,-3.6 2,-0.5 13,-0.1 -1,-0.3 0.371 94.3 121.8 170.0 42.9 56.6 67.1 42.8 21 21 A Q < - 0 0 75 -3,-2.8 11,-1.0 11,-0.4 -1,-0.1 -0.981 42.8-164.5-121.0 109.4 58.6 68.9 40.5 22 22 A S E -D 31 0B 45 -2,-0.5 9,-0.4 9,-0.3 2,-0.4 -0.134 20.3-130.8 -86.4 170.1 58.5 72.6 40.8 23 23 A L E -D 30 0B 9 7,-2.5 7,-2.8 -21,-0.1 2,-0.3 -0.942 36.4-158.4-107.8 128.5 59.6 75.5 38.4 24 24 A E + 0 0 119 -23,-1.7 2,-0.4 -2,-0.4 5,-0.3 -0.968 29.2 170.0-122.7 128.4 61.8 78.0 40.4 25 25 A L S > S- 0 0 21 3,-0.5 3,-2.8 -2,-0.3 70,-0.1 -0.960 75.2 -52.9-117.8 150.3 62.9 81.8 40.1 26 26 A S T 3 S- 0 0 24 -2,-0.4 2,-1.1 1,-0.3 -1,-0.1 0.603 123.0 -20.0 -4.3 92.0 64.6 83.0 43.2 27 27 A S T 3 S+ 0 0 45 15,-0.1 16,-2.3 590,-0.1 -1,-0.3 0.214 120.4 99.1 72.9 -46.2 62.3 82.2 46.1 28 28 A F E < + E 0 42B 6 -3,-2.8 -3,-0.5 -2,-1.1 2,-0.2 -0.427 49.2 173.3 -81.4 168.6 59.3 81.9 43.7 29 29 A R E - E 0 41B 82 12,-0.6 12,-2.7 -5,-0.3 2,-0.5 -0.627 25.1-163.9-178.7 113.7 58.4 78.4 42.7 30 30 A F E -DE 23 40B 1 -7,-2.8 -7,-2.5 10,-0.2 2,-0.3 -0.998 27.9-178.0-123.7 100.6 55.4 77.1 40.7 31 31 A T E -DE 22 39B 9 8,-1.3 8,-1.6 -2,-0.5 2,-1.2 -0.942 31.4-133.8 -92.3 118.2 55.4 73.3 41.5 32 32 A M E - E 0 38B 0 -11,-1.0 -11,-0.4 -2,-0.3 6,-0.2 -0.722 52.4-144.2 -68.8 82.7 53.0 70.4 40.1 33 33 A Q > - 0 0 28 4,-1.7 3,-1.9 -2,-1.2 25,-0.2 -0.097 20.0 -91.2-103.9 167.1 52.3 68.9 43.4 34 34 A S T 3 S+ 0 0 81 1,-0.3 23,-0.4 2,-0.2 24,-0.1 0.616 117.5 32.9 -14.7 -31.2 51.7 66.0 45.2 35 35 A D T 3 S- 0 0 56 21,-0.1 19,-1.0 22,-0.1 20,-0.8 -0.249 121.5 -83.2-133.1 42.4 47.8 65.9 45.0 36 36 A a S < S+ 0 0 0 -3,-1.9 2,-0.2 1,-0.3 -2,-0.2 0.284 85.6 137.8 64.7 14.4 47.0 67.4 41.5 37 37 A N - 0 0 21 -4,-0.1 -4,-1.7 18,-0.1 2,-0.5 -0.549 42.1-156.7 -96.0 139.3 47.3 71.0 42.8 38 38 A L E +E 32 0B 0 -6,-0.2 13,-0.3 -2,-0.2 2,-0.3 -0.998 30.6 172.7-111.6 87.3 49.1 73.3 40.5 39 39 A V E -E 31 0B 0 -8,-1.6 -8,-1.3 -2,-0.5 2,-0.4 -0.971 34.0-145.6-119.0 147.6 50.3 76.1 42.6 40 40 A L E -EF 30 48B 2 8,-3.8 8,-1.0 -2,-0.3 7,-0.9 -0.912 25.3-179.7-104.1 141.3 52.5 79.2 42.8 41 41 A F E -EF 29 46B 7 -12,-2.7 -12,-0.6 -2,-0.4 2,-0.6 -0.951 31.2-156.6-143.3 143.9 54.3 80.1 45.9 42 42 A D E S-E 28 0B 20 3,-1.1 2,-0.6 -2,-0.4 -14,-0.3 -0.897 79.5 -61.7 -94.3 99.9 56.6 82.8 47.1 43 43 A S S S- 0 0 78 -16,-2.3 2,-0.2 -2,-0.6 -16,-0.0 -0.273 118.8 -18.1 54.4-114.5 58.3 80.8 50.0 44 44 A D S S+ 0 0 124 -2,-0.6 -2,-0.3 2,-0.0 0, 0.0 0.103 118.8 92.4-101.6-120.6 55.5 79.9 52.4 45 45 A V S S- 0 0 102 -2,-0.2 -3,-1.1 1,-0.2 2,-0.6 0.801 73.4-138.7 28.2 122.1 52.8 82.5 51.1 46 46 A R E +F 41 0B 159 -5,-0.2 -5,-0.2 1,-0.2 -1,-0.2 -0.901 24.4 178.9-105.8 105.3 50.8 81.0 48.6 47 47 A V E - 0 0 59 -7,-0.9 2,-0.3 -2,-0.6 -6,-0.2 0.961 54.4 -7.0 -96.5 -48.1 49.8 82.8 45.6 48 48 A W E +F 40 0B 60 -8,-1.0 -8,-3.8 186,-0.0 2,-0.2 -0.891 58.3 168.6-128.1 159.7 47.7 81.2 42.8 49 49 A A - 0 0 17 -2,-0.3 -10,-0.2 -10,-0.3 -12,-0.0 -0.457 41.9-122.0-162.9 179.5 46.6 77.6 42.4 50 50 A S - 0 0 17 -2,-0.2 -11,-0.1 29,-0.0 -13,-0.1 0.238 37.4-138.4-110.4 -12.8 44.1 75.6 40.2 51 51 A N + 0 0 140 -13,-0.3 -14,-0.1 1,-0.2 -12,-0.1 0.967 59.7 137.3 65.1 41.3 42.3 74.4 43.3 52 52 A T + 0 0 14 -14,-0.1 -1,-0.2 -16,-0.1 3,-0.1 -0.234 36.2 161.4-113.1 52.6 42.2 71.1 41.5 53 53 A A + 0 0 50 1,-0.1 -17,-0.2 -3,-0.1 3,-0.1 0.031 23.7 37.9-102.3 179.4 43.0 68.9 44.4 54 54 A G S S+ 0 0 60 -19,-1.0 -18,-0.2 1,-0.2 2,-0.2 0.933 80.6 92.5 81.1 58.9 43.0 65.5 45.9 55 55 A A - 0 0 37 -20,-0.8 2,-0.4 -3,-0.1 -1,-0.2 -0.551 65.3 -80.2-149.1-168.2 43.7 63.0 43.2 56 56 A T S S- 0 0 104 -2,-0.2 17,-0.6 -21,-0.1 -21,-0.1 -0.940 76.5 -15.3-147.6 141.7 46.8 61.3 41.7 57 57 A G + 0 0 24 -2,-0.4 16,-0.6 -23,-0.4 -22,-0.1 0.875 67.3 167.0 74.0 46.6 49.6 61.5 39.5 58 58 A a - 0 0 5 -25,-0.2 2,-0.4 14,-0.2 -39,-0.3 -0.382 17.0-163.9 -74.8 137.2 48.3 64.6 37.8 59 59 A R B -G 71 0C 8 12,-2.5 12,-1.4 1,-0.2 -41,-0.2 -0.949 14.6-133.4-122.1 157.9 51.2 65.9 35.7 60 60 A A + 0 0 0 -43,-2.4 9,-0.7 -2,-0.4 11,-0.2 0.873 35.7 161.4 -95.8 -25.9 51.3 69.4 34.3 61 61 A V - 0 0 0 -44,-0.2 8,-1.0 1,-0.1 2,-0.6 0.792 30.8-116.1 39.3 131.5 52.4 69.6 30.5 62 62 A L B -H 68 0D 0 -47,-0.8 -55,-2.3 -57,-0.4 6,-0.2 -0.828 23.0-135.4-115.8 144.0 52.0 72.2 27.8 63 63 A Q - 0 0 11 4,-2.6 27,-0.2 -2,-0.6 -55,-0.2 0.618 17.3-123.3 -89.9-159.8 50.3 72.3 24.6 64 64 A S S S+ 0 0 1 -57,-0.1 821,-0.1 -58,-0.1 -1,-0.1 -0.052 110.9 48.5-119.3 4.9 50.6 73.3 21.1 65 65 A D S S- 0 0 8 2,-0.1 20,-0.2 819,-0.1 -2,-0.1 -0.455 129.0 -95.0-141.0 34.4 47.6 75.6 20.8 66 66 A G S S+ 0 0 0 21,-0.4 2,-0.4 18,-0.2 17,-0.1 0.626 77.2 144.0 64.2 12.4 48.9 77.2 24.0 67 67 A L - 0 0 18 15,-0.1 -4,-2.6 14,-0.1 2,-0.3 -0.771 39.2-152.4 -87.8 153.8 46.9 75.3 26.6 68 68 A L B -H 62 0D 1 -2,-0.4 2,-0.3 -6,-0.2 13,-0.3 -0.823 28.6-179.7-107.6 120.9 48.5 74.5 29.9 69 69 A V - 0 0 2 -8,-1.0 2,-0.5 -9,-0.7 11,-0.2 -0.842 31.5-138.6-129.6 128.7 46.6 71.3 31.1 70 70 A I - 0 0 0 9,-1.6 8,-2.3 -2,-0.3 9,-0.5 -0.879 33.4-160.4 -95.4 101.1 46.8 69.1 34.1 71 71 A L B -G 59 0C 1 -12,-1.4 -12,-2.5 -2,-0.5 2,-0.6 -0.317 10.1-116.3 -98.9 139.1 46.5 65.7 32.8 72 72 A T >> - 0 0 19 -14,-0.2 3,-3.9 1,-0.1 4,-0.6 -0.905 22.8-105.5 -92.4 149.0 45.6 62.9 34.6 73 73 A A T 34 S+ 0 0 16 -2,-0.6 -1,-0.1 -17,-0.6 -16,-0.1 0.549 126.2 36.4 -15.0 -36.1 47.2 59.6 35.6 74 74 A Q T 34 S- 0 0 71 800,-0.1 -1,-0.4 801,-0.1 800,-0.1 0.049 129.0 -90.2-127.7 34.5 45.0 58.1 33.0 75 75 A N T <4 S+ 0 0 30 -3,-3.9 2,-0.8 1,-0.1 -2,-0.2 0.339 82.0 134.6 81.2 17.7 45.0 60.7 30.4 76 76 A T < - 0 0 95 -4,-0.6 -2,-0.1 -5,-0.1 -1,-0.1 -0.483 59.1-118.1-102.1 104.7 42.1 62.7 31.6 77 77 A I - 0 0 90 -2,-0.8 -6,-0.3 1,-0.1 -1,-0.1 0.561 25.4-176.2 -12.8 82.0 42.3 66.6 31.8 78 78 A R S S- 0 0 94 -8,-2.3 2,-0.2 1,-0.1 -7,-0.1 0.669 74.8 -10.1 -66.1 -15.7 41.8 67.7 35.6 79 79 A W - 0 0 47 -9,-0.5 -9,-1.6 -27,-0.0 2,-0.1 -0.623 65.2-158.8 177.7 136.6 41.8 71.4 34.6 80 80 A S - 0 0 52 -2,-0.2 -11,-0.2 -11,-0.2 -13,-0.0 -0.233 24.5-127.9-117.3-175.0 42.7 73.5 31.5 81 81 A S - 0 0 19 -13,-0.3 -12,-0.1 -2,-0.1 3,-0.1 0.709 36.7-139.8-115.8 -60.1 43.6 77.1 31.0 82 82 A G + 0 0 63 1,-0.4 2,-0.4 -14,-0.2 -15,-0.1 0.222 66.6 93.8 138.1 -5.9 40.9 78.0 28.3 83 83 A T - 0 0 58 -17,-0.1 -1,-0.4 0, 0.0 2,-0.3 -0.962 51.2-179.1-113.8 157.9 42.6 80.0 26.0 84 84 A K + 0 0 131 -2,-0.4 -18,-0.2 -3,-0.1 2,-0.1 -0.830 3.7 172.1-152.8 162.1 44.0 78.6 23.0 85 85 A G - 0 0 29 1,-0.3 -21,-0.1 -2,-0.3 -18,-0.0 -0.222 34.0 -32.8-137.0-126.5 46.0 79.8 20.0 86 86 A S - 0 0 73 18,-0.2 -1,-0.3 -2,-0.1 -20,-0.1 0.472 68.2 -70.1-107.2-141.5 47.9 78.9 17.0 87 87 A I S S+ 0 0 94 -22,-0.1 -21,-0.4 -21,-0.0 -2,-0.1 0.700 81.0 41.7 -99.3 -61.2 50.1 76.1 16.0 88 88 A G S S- 0 0 24 -23,-0.1 -80,-0.4 18,-0.1 2,-0.3 0.888 79.2 -16.5 -1.2-161.8 53.4 76.0 17.7 89 89 A N + 0 0 59 -82,-0.1 2,-0.3 -25,-0.1 -3,-0.1 -0.792 46.0 179.0 -87.8 123.0 55.8 76.2 20.0 90 90 A Y - 0 0 3 -2,-0.3 -84,-0.7 -27,-0.2 2,-0.3 -0.893 17.8-149.5-120.6 142.4 55.0 78.0 23.4 91 91 A V E -AB 5 103A 0 12,-0.8 12,-0.5 -2,-0.3 -86,-0.1 -0.562 7.3-152.9 -88.1 157.1 57.2 78.5 26.5 92 92 A L E - 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