==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 22-AUG-03 1Q8S . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PTEROCARPUS ANGOLENSIS; . AUTHOR R.LORIS,I.VAN WALLE,H.DE GREVE,S.BEECKMANS,F.DEBOECK,L.WYNS, . 482 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 67.4 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 . 210 43.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 47 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 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 6 2 2 3 8 8 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 1 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 8 0, 0.0 56,-0.4 0, 0.0 249,-0.2 0.000 360.0 360.0 360.0 146.5 -5.8 3.1 14.7 2 2 A D + 0 0 17 247,-1.8 235,-2.3 250,-0.2 2,-0.4 0.788 360.0 31.0 -73.1 -29.6 -7.3 2.4 18.1 3 3 A S E +AB 236 249A 39 246,-1.3 246,-2.0 233,-0.2 2,-0.3 -0.978 65.0 171.2-134.1 146.7 -3.9 2.8 19.7 4 4 A L E +AB 235 248A 5 231,-2.1 231,-2.2 -2,-0.4 2,-0.3 -0.985 1.7 169.2-152.2 139.6 -0.8 4.8 18.9 5 5 A S E +AB 234 247A 30 242,-2.3 242,-2.1 -2,-0.3 2,-0.3 -0.990 1.4 169.5-154.2 146.5 2.4 5.6 20.6 6 6 A F E -AB 233 246A 5 227,-2.2 227,-2.7 -2,-0.3 2,-0.4 -0.982 13.3-154.9-151.6 156.7 5.8 7.2 19.8 7 7 A G E -AB 232 245A 7 238,-1.8 237,-1.5 -2,-0.3 238,-1.3 -0.986 10.2-169.1-144.6 132.0 8.8 8.3 21.7 8 8 A F E +A 231 0A 2 223,-3.8 223,-2.2 -2,-0.4 3,-0.1 -0.900 6.0 178.3-115.1 95.2 11.5 10.8 21.1 9 9 A P S S- 0 0 75 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.896 81.4 -7.6 -63.4 -35.6 14.3 10.3 23.7 10 10 A T S S- 0 0 63 -3,-0.1 20,-0.2 220,-0.1 234,-0.2 -0.820 77.2-112.7-143.4 179.8 16.1 13.2 21.9 11 11 A F - 0 0 0 18,-2.3 18,-0.2 -2,-0.2 19,-0.1 -0.697 26.9-166.0-126.7 82.0 15.5 15.1 18.7 12 12 A P - 0 0 23 0, 0.0 15,-0.0 0, 0.0 -2,-0.0 -0.255 34.8-112.2 -60.8 155.4 18.1 14.5 15.9 13 13 A S S S+ 0 0 102 1,-0.2 2,-1.5 13,-0.1 13,-0.1 0.691 101.8 83.3 -63.8 -19.3 18.0 17.1 13.1 14 14 A D + 0 0 64 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.579 63.2 162.6 -89.4 77.1 16.7 14.5 10.6 15 15 A Q + 0 0 30 -2,-1.5 -2,-0.0 1,-0.1 11,-0.0 -0.741 21.1 168.0 -99.8 145.1 13.0 14.5 11.3 16 16 A K S S+ 0 0 81 -2,-0.3 -1,-0.1 281,-0.1 282,-0.1 0.612 75.0 47.5-123.5 -27.3 10.2 13.1 9.1 17 17 A N S S+ 0 0 2 280,-0.1 36,-2.7 279,-0.1 2,-0.4 0.082 87.1 96.3-109.4 24.8 7.0 13.1 11.2 18 18 A L E -R 52 0B 17 34,-0.2 2,-0.7 35,-0.1 34,-0.2 -0.953 59.4-147.4-117.7 133.0 7.0 16.5 12.8 19 19 A I E -R 51 0B 56 32,-3.0 32,-1.5 -2,-0.4 2,-0.5 -0.877 17.9-155.8 -96.5 116.7 5.1 19.5 11.5 20 20 A F E -R 50 0B 80 -2,-0.7 2,-0.4 30,-0.2 30,-0.2 -0.817 13.6-178.9 -96.5 131.6 7.1 22.7 12.2 21 21 A Q E > -R 49 0B 30 28,-2.6 28,-2.4 -2,-0.5 3,-1.2 -0.974 52.4 -11.5-129.2 144.7 5.1 26.0 12.5 22 22 A G E 3 S-R 48 0B 56 -2,-0.4 26,-0.3 26,-0.2 12,-0.1 -0.453 124.8 -23.3 70.7-138.5 6.5 29.5 13.1 23 23 A D T 3 S+ 0 0 67 24,-3.1 -1,-0.2 10,-0.2 25,-0.2 0.331 94.4 130.6 -93.0 7.8 10.1 29.6 14.3 24 24 A A < + 0 0 9 -3,-1.2 2,-0.3 25,-0.2 9,-0.2 -0.365 27.1 147.6 -65.4 137.1 10.4 26.1 15.7 25 25 A Q E -C 32 0A 96 7,-1.8 7,-3.0 9,-0.1 2,-0.4 -0.976 47.2 -90.7-160.0 168.6 13.4 24.1 14.6 26 26 A I E +C 31 0A 26 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.749 43.4 161.8 -92.4 131.3 15.9 21.5 15.7 27 27 A K E > -C 30 0A 62 3,-2.6 3,-0.7 -2,-0.4 -16,-0.1 -0.954 66.6 -4.5-149.9 126.5 19.2 22.6 17.3 28 28 A N T 3 S- 0 0 148 -2,-0.3 -17,-0.1 1,-0.2 3,-0.1 0.910 126.0 -58.0 57.7 47.1 21.6 20.5 19.4 29 29 A N T 3 S+ 0 0 99 1,-0.2 -18,-2.3 -18,-0.2 2,-0.3 0.764 121.9 91.8 55.6 30.1 19.3 17.4 19.4 30 30 A A E < S-C 27 0A 10 -3,-0.7 -3,-2.6 -20,-0.2 2,-0.6 -0.943 81.7-106.2-144.6 161.7 16.5 19.3 20.9 31 31 A V E -CD 26 228A 0 197,-2.6 197,-2.6 -2,-0.3 2,-0.9 -0.848 23.1-158.0 -96.9 119.4 13.5 21.3 19.6 32 32 A Q E -CD 25 227A 19 -7,-3.0 -7,-1.8 -2,-0.6 195,-0.2 -0.846 9.1-174.7 -95.6 101.5 13.9 25.1 20.0 33 33 A L + 0 0 0 193,-2.2 2,-0.3 -2,-0.9 -10,-0.2 0.884 67.6 46.8 -64.8 -40.8 10.3 26.3 19.9 34 34 A T S S- 0 0 1 192,-0.3 192,-0.2 -3,-0.1 -9,-0.1 -0.779 99.7 -89.7-106.6 150.8 11.2 30.0 19.9 35 35 A K - 0 0 67 -2,-0.3 8,-1.5 184,-0.1 2,-0.3 -0.153 40.1-173.2 -58.4 144.3 13.9 31.8 17.8 36 36 A T B -X 42 0C 17 6,-0.2 -4,-0.0 -4,-0.1 -1,-0.0 -0.964 20.5-117.6-136.3 151.4 17.5 32.1 19.0 37 37 A D > - 0 0 55 4,-2.6 3,-2.0 -2,-0.3 6,-0.0 -0.090 46.0 -79.4 -80.3-174.4 20.4 34.0 17.5 38 38 A S T 3 S+ 0 0 130 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.741 131.9 50.5 -57.3 -26.8 23.7 32.7 16.2 39 39 A N T 3 S- 0 0 134 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.437 121.5-105.0 -93.1 -1.2 25.0 32.4 19.7 40 40 A G S < S+ 0 0 40 -3,-2.0 -2,-0.1 1,-0.3 185,-0.1 0.663 72.8 144.3 86.6 17.3 22.0 30.5 20.9 41 41 A N - 0 0 75 1,-0.1 -4,-2.6 38,-0.0 -1,-0.3 -0.721 53.7-107.6 -92.9 139.2 20.5 33.5 22.8 42 42 A P B -X 36 0C 11 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.280 34.1-155.2 -63.4 146.7 16.8 34.0 23.0 43 43 A V - 0 0 38 -8,-1.5 181,-0.3 181,-0.2 3,-0.1 -0.772 16.3-105.2-120.2 166.1 15.2 36.8 21.0 44 44 A A S S+ 0 0 43 -2,-0.3 177,-0.2 1,-0.2 176,-0.2 -0.360 89.3 30.3 -85.6 168.7 12.0 38.9 21.3 45 45 A S S S+ 0 0 94 175,-2.3 2,-0.3 177,-0.2 175,-0.2 0.949 82.5 135.8 45.9 76.9 8.9 38.6 19.2 46 46 A T E - S 0 219B 5 173,-2.4 173,-2.4 -3,-0.1 2,-0.4 -0.983 30.1-177.0-154.3 138.2 8.9 34.9 18.3 47 47 A V E + S 0 218B 24 -2,-0.3 -24,-3.1 171,-0.2 2,-0.3 -0.988 10.5 168.7-134.2 143.6 6.4 32.0 18.2 48 48 A G E +RS 22 217B 0 169,-2.1 169,-1.8 -2,-0.4 2,-0.3 -0.990 5.2 177.4-155.5 147.7 6.9 28.4 17.3 49 49 A R E -RS 21 216B 1 -28,-2.4 -28,-2.6 -2,-0.3 2,-0.3 -0.972 11.2-158.3-148.1 159.3 5.0 25.1 17.5 50 50 A I E -RS 20 215B 0 165,-2.1 165,-2.1 -2,-0.3 2,-0.3 -0.990 8.3-172.8-139.3 145.1 5.4 21.4 16.5 51 51 A L E -RS 19 214B 1 -32,-1.5 -32,-3.0 -2,-0.3 2,-0.3 -0.982 31.1-112.5-136.2 145.4 2.8 18.8 16.0 52 52 A F E -R 18 0B 0 161,-2.3 161,-0.3 -2,-0.3 -34,-0.2 -0.605 28.1-134.0 -76.0 141.4 3.2 15.1 15.4 53 53 A S S S+ 0 0 26 -36,-2.7 2,-0.2 -2,-0.3 -1,-0.1 0.896 81.7 80.5 -66.0 -43.0 2.1 14.3 11.8 54 54 A A S S- 0 0 1 -37,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.450 83.9-123.2 -68.0 135.3 -0.1 11.2 12.6 55 55 A Q - 0 0 27 -2,-0.2 2,-0.4 157,-0.1 157,-0.2 -0.519 19.6-132.3 -79.3 146.3 -3.6 12.1 13.8 56 56 A V E -Y 211 0D 3 155,-3.3 155,-2.5 -2,-0.2 2,-1.3 -0.859 6.8-136.2-103.2 132.3 -4.8 10.8 17.1 57 57 A H E +Y 210 0D 11 -2,-0.4 153,-0.2 -56,-0.4 3,-0.1 -0.719 30.0 173.0 -88.2 94.6 -8.2 9.1 17.5 58 58 A L - 0 0 4 151,-1.8 9,-3.5 -2,-1.3 2,-0.3 0.816 62.6 -6.0 -72.7 -37.0 -9.3 10.8 20.8 59 59 A W E -E 66 0A 41 150,-1.3 2,-0.4 7,-0.3 7,-0.2 -0.989 57.0-143.2-158.5 158.2 -12.9 9.4 20.8 60 60 A E E >> -E 65 0A 12 5,-2.7 4,-1.2 -2,-0.3 5,-1.1 -0.966 1.9-165.1-132.1 115.9 -15.3 7.5 18.6 61 61 A K T 45S+ 0 0 161 -2,-0.4 3,-0.5 1,-0.2 -1,-0.1 0.932 87.7 58.1 -63.7 -48.3 -19.0 8.3 18.5 62 62 A S T 45S+ 0 0 111 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.835 120.3 28.2 -52.7 -38.5 -20.1 5.1 16.8 63 63 A S T 45S- 0 0 27 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.496 101.2-126.1-103.3 -6.2 -18.6 2.9 19.6 64 64 A S T <5 + 0 0 66 -4,-1.2 176,-0.7 -3,-0.5 2,-0.3 0.743 60.1 146.8 67.2 23.6 -18.9 5.4 22.5 65 65 A R E < -EF 60 239A 18 -5,-1.1 -5,-2.7 174,-0.2 2,-0.4 -0.652 31.7-164.9 -94.3 150.0 -15.2 4.9 23.2 66 66 A V E -EF 59 238A 9 172,-2.2 172,-2.0 -2,-0.3 -7,-0.3 -0.988 24.0-112.2-132.1 141.9 -12.9 7.6 24.5 67 67 A A E - F 0 237A 0 -9,-3.5 2,-0.5 -2,-0.4 170,-0.2 -0.462 13.0-148.6 -80.3 143.3 -9.1 7.5 24.6 68 68 A N E - F 0 236A 49 168,-2.4 168,-2.2 -2,-0.2 2,-0.3 -0.910 31.6-179.8-101.1 131.6 -6.9 7.2 27.6 69 69 A F E -GF 176 235A 5 107,-1.5 107,-2.7 -2,-0.5 2,-0.3 -0.959 22.8-166.0-139.6 159.5 -3.7 9.0 26.9 70 70 A Q E -GF 175 234A 78 164,-2.2 164,-1.8 -2,-0.3 2,-0.4 -0.996 2.7-169.9-142.2 135.5 -0.4 9.9 28.5 71 71 A S E -GF 174 233A 0 103,-2.8 103,-2.9 -2,-0.3 2,-0.4 -0.992 4.6-173.9-130.5 123.2 2.2 12.4 27.4 72 72 A Q E +GF 173 232A 57 160,-2.4 160,-2.7 -2,-0.4 2,-0.3 -0.968 19.9 147.4-118.1 130.9 5.7 12.5 29.1 73 73 A F E -GF 172 231A 1 99,-2.3 99,-3.5 -2,-0.4 2,-0.4 -0.988 30.6-147.8-158.0 161.3 8.1 15.2 28.2 74 74 A S E +GF 171 230A 10 156,-1.4 155,-2.6 -2,-0.3 156,-1.2 -0.996 19.3 169.2-137.0 141.7 10.9 17.4 29.6 75 75 A F E -GF 170 228A 3 95,-1.5 95,-3.0 -2,-0.4 2,-0.3 -0.933 16.4-151.2-143.7 167.2 11.9 21.0 28.8 76 76 A S E - F 0 227A 15 151,-1.7 151,-2.2 -2,-0.3 2,-0.4 -0.982 6.8-148.6-141.5 150.9 14.2 23.7 30.1 77 77 A L E - F 0 226A 5 88,-0.5 90,-3.6 91,-0.4 2,-0.4 -0.979 16.1-178.8-123.4 135.0 14.0 27.5 29.9 78 78 A K E + F 0 225A 35 147,-0.6 147,-3.0 -2,-0.4 3,-0.1 -0.995 6.4 163.4-137.0 140.7 17.0 29.8 29.7 79 79 A S - 0 0 12 -2,-0.4 5,-0.1 145,-0.2 145,-0.1 -0.968 40.7-139.0-158.9 138.7 17.4 33.6 29.6 80 80 A P S S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 144,-0.1 0.823 98.8 58.8 -63.4 -30.8 20.1 36.2 30.2 81 81 A L S S- 0 0 64 142,-0.3 -2,-0.2 -3,-0.1 3,-0.1 0.293 84.9-132.3 -75.1-153.0 17.3 38.2 31.9 82 82 A S S S+ 0 0 105 142,-0.0 2,-0.2 84,-0.0 -1,-0.1 0.347 95.7 66.9-143.3 -15.6 15.3 37.0 34.9 83 83 A N S S- 0 0 107 140,-0.1 48,-0.0 2,-0.0 -2,-0.0 -0.413 75.5-179.4-104.5 51.8 11.8 37.8 33.8 84 84 A G - 0 0 0 -2,-0.2 2,-0.3 -5,-0.1 140,-0.2 -0.223 20.2-115.9 -54.5 143.9 11.9 35.2 31.0 85 85 A A - 0 0 0 135,-0.1 139,-0.3 2,-0.1 2,-0.1 -0.948 46.6 -13.3-143.9 161.4 8.7 35.1 28.9 86 86 A D - 0 0 6 -2,-0.3 45,-1.4 137,-0.2 46,-0.9 -0.939 68.6-119.3-109.5 -25.0 6.3 33.9 27.9 87 87 A G E -TU 130 218B 0 131,-0.9 131,-1.4 43,-0.2 2,-0.3 -0.765 11.0-103.2 146.1 167.9 5.9 30.1 28.4 88 88 A I E -TU 129 217B 2 41,-1.4 41,-2.5 -2,-0.2 2,-0.4 -0.921 29.3-166.3-124.4 149.2 5.6 26.7 26.7 89 89 A A E -TU 128 216B 0 127,-2.9 127,-2.3 -2,-0.3 2,-0.5 -0.998 20.3-141.6-142.4 142.0 2.4 24.6 26.4 90 90 A F E -TU 127 215B 2 37,-2.6 37,-2.8 -2,-0.4 2,-0.3 -0.841 40.1-179.1 -92.4 133.5 1.5 21.1 25.6 91 91 A F E -TU 126 214B 2 123,-2.5 123,-2.0 -2,-0.5 2,-0.4 -0.952 30.9-154.6-141.4 162.8 -1.7 21.2 23.5 92 92 A I E +TU 125 213B 5 33,-2.4 33,-2.0 -2,-0.3 121,-0.2 -0.998 33.7 145.2-131.3 132.0 -4.3 19.1 21.7 93 93 A A E - 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