==== 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 1Q8P . 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, . 480 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18721.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 67.9 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 43.8 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 . 46 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 8.3 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 7 1 0 0 0 0 1 1 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, 0.0 248,-0.2 0.000 360.0 360.0 360.0 144.5 -5.6 3.2 14.6 2 2 A D + 0 0 17 246,-1.9 235,-2.4 249,-0.2 2,-0.4 0.763 360.0 33.1 -74.3 -27.5 -7.2 2.5 18.0 3 3 A S E +AB 236 248A 38 245,-1.2 245,-1.9 233,-0.2 2,-0.3 -0.979 65.6 172.2-132.9 145.6 -3.8 2.8 19.7 4 4 A L E +AB 235 247A 5 231,-2.2 231,-2.2 -2,-0.4 2,-0.3 -0.986 2.2 168.7-151.0 137.9 -0.8 4.9 18.8 5 5 A S E +AB 234 246A 29 241,-2.4 241,-2.4 -2,-0.3 2,-0.3 -0.994 2.0 171.0-150.3 151.5 2.5 5.6 20.6 6 6 A F E -AB 233 245A 5 227,-2.2 227,-2.6 -2,-0.3 2,-0.4 -0.981 13.4-153.6-156.1 153.8 5.8 7.2 19.8 7 7 A G E -AB 232 244A 7 237,-2.0 236,-1.5 -2,-0.3 237,-1.4 -0.988 10.2-172.2-141.6 131.4 8.9 8.2 21.8 8 8 A F E +A 231 0A 2 223,-3.5 223,-2.3 -2,-0.4 3,-0.1 -0.881 6.2 176.0-117.7 92.9 11.6 10.8 21.2 9 9 A P S S- 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.856 81.7 -9.0 -64.1 -32.9 14.4 10.2 23.8 10 10 A T S S- 0 0 57 -3,-0.1 20,-0.2 221,-0.1 233,-0.2 -0.855 77.6-110.4-148.2 179.0 16.2 13.1 22.0 11 11 A F - 0 0 0 18,-2.5 18,-0.2 -2,-0.3 16,-0.1 -0.725 28.7-165.2-125.9 83.8 15.6 15.0 18.8 12 12 A P - 0 0 17 0, 0.0 3,-0.0 0, 0.0 14,-0.0 -0.230 33.5-110.1 -61.7 156.7 18.2 14.4 16.0 13 13 A S S S+ 0 0 105 1,-0.2 2,-1.7 13,-0.0 13,-0.2 0.791 102.9 75.5 -61.2 -32.0 18.2 16.9 13.2 14 14 A D + 0 0 53 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.493 65.5 166.4 -86.2 74.4 16.8 14.5 10.5 15 15 A Q + 0 0 28 -2,-1.7 -2,-0.0 1,-0.1 11,-0.0 -0.632 17.5 171.2 -88.6 145.5 13.1 14.5 11.5 16 16 A K S S+ 0 0 107 -2,-0.3 -1,-0.1 280,-0.1 281,-0.1 0.619 73.5 47.9-122.4 -28.0 10.4 13.1 9.3 17 17 A N S S+ 0 0 3 279,-0.1 36,-2.9 278,-0.1 2,-0.4 0.117 87.6 96.4-106.9 21.3 7.2 13.0 11.3 18 18 A L E -R 52 0B 17 34,-0.2 2,-0.6 35,-0.1 34,-0.2 -0.928 59.7-146.8-115.0 135.5 7.2 16.5 12.9 19 19 A I E -R 51 0B 51 32,-3.1 32,-1.6 -2,-0.4 2,-0.5 -0.888 18.6-155.5 -98.1 118.1 5.3 19.5 11.6 20 20 A F E -R 50 0B 79 -2,-0.6 2,-0.3 30,-0.2 30,-0.2 -0.833 13.7-178.3 -98.0 130.1 7.3 22.7 12.4 21 21 A Q E > -R 49 0B 31 28,-2.8 28,-2.3 -2,-0.5 3,-1.4 -0.955 51.3 -14.2-127.5 147.3 5.4 26.0 12.7 22 22 A G E 3 S-R 48 0B 56 -2,-0.3 26,-0.3 26,-0.2 12,-0.1 -0.419 125.3 -20.7 67.3-134.8 6.7 29.5 13.3 23 23 A D T 3 S+ 0 0 64 24,-3.3 -1,-0.2 10,-0.2 25,-0.2 0.402 94.1 131.5 -92.2 2.8 10.3 29.6 14.6 24 24 A A < + 0 0 9 -3,-1.4 2,-0.3 25,-0.2 9,-0.2 -0.282 26.4 151.6 -60.5 136.3 10.6 26.1 15.9 25 25 A Q E -C 32 0A 79 7,-1.9 7,-3.1 9,-0.1 2,-0.4 -0.986 45.2 -99.8-160.4 159.7 13.7 24.2 14.8 26 26 A I E +C 31 0A 29 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.715 41.6 164.4 -88.5 133.7 16.0 21.4 15.9 27 27 A K E > -C 30 0A 59 3,-2.6 3,-1.0 -2,-0.4 -16,-0.1 -0.949 65.5 -5.8-150.6 126.6 19.4 22.4 17.5 28 28 A N T 3 S- 0 0 155 -2,-0.3 -17,-0.1 1,-0.2 3,-0.1 0.920 126.5 -56.2 55.3 50.2 21.8 20.3 19.5 29 29 A N T 3 S+ 0 0 91 -18,-0.2 -18,-2.5 1,-0.2 2,-0.3 0.684 121.8 92.4 57.9 22.0 19.4 17.2 19.6 30 30 A A E < S-C 27 0A 10 -3,-1.0 -3,-2.6 -20,-0.2 2,-0.6 -0.940 80.6-108.7-138.9 159.9 16.6 19.3 21.2 31 31 A V E -CD 26 228A 0 197,-2.7 197,-2.8 -2,-0.3 2,-0.9 -0.828 23.1-158.9 -94.5 119.5 13.7 21.2 19.8 32 32 A Q E -CD 25 227A 19 -7,-3.1 -7,-1.9 -2,-0.6 195,-0.2 -0.861 8.6-174.8 -96.3 102.7 14.1 25.0 20.2 33 33 A L + 0 0 0 193,-2.2 2,-0.3 -2,-0.9 -10,-0.2 0.879 67.7 47.6 -67.2 -38.6 10.5 26.3 20.0 34 34 A T S S- 0 0 1 192,-0.4 192,-0.2 -3,-0.1 -9,-0.1 -0.808 98.7 -91.9-108.6 149.2 11.5 29.9 20.1 35 35 A K - 0 0 57 -2,-0.3 8,-1.4 184,-0.1 2,-0.3 -0.147 39.3-174.3 -57.8 143.6 14.2 31.7 18.0 36 36 A T B -X 42 0C 13 6,-0.2 5,-0.0 -4,-0.1 -4,-0.0 -0.938 22.4-114.2-135.4 155.7 17.8 32.1 19.2 37 37 A D > - 0 0 52 4,-2.5 3,-2.2 -2,-0.3 -1,-0.0 -0.133 46.5 -80.7 -81.6-175.9 20.7 33.9 17.8 38 38 A S T 3 S+ 0 0 133 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.827 132.7 48.8 -54.6 -36.8 24.0 32.5 16.4 39 39 A N T 3 S- 0 0 110 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.319 122.2-105.9 -88.2 8.1 25.4 32.2 19.9 40 40 A G S < S+ 0 0 37 -3,-2.2 -2,-0.1 1,-0.3 185,-0.0 0.522 70.7 144.5 83.1 5.9 22.2 30.5 21.2 41 41 A N - 0 0 71 1,-0.1 -4,-2.5 -5,-0.0 -1,-0.3 -0.579 53.5-107.3 -81.7 140.7 20.8 33.4 23.1 42 42 A P B -X 36 0C 12 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.261 33.3-154.0 -63.7 149.5 17.0 33.9 23.2 43 43 A V - 0 0 40 -8,-1.4 181,-0.3 181,-0.2 3,-0.1 -0.848 16.5-106.4-123.7 160.6 15.5 36.8 21.2 44 44 A A S S+ 0 0 43 -2,-0.3 177,-0.2 1,-0.2 176,-0.2 -0.332 89.7 32.3 -81.8 166.8 12.3 38.8 21.7 45 45 A S S S+ 0 0 99 175,-2.7 2,-0.3 177,-0.2 175,-0.2 0.957 82.1 136.6 51.8 69.1 9.1 38.5 19.5 46 46 A T E - S 0 219B 3 173,-2.3 173,-2.3 -3,-0.1 2,-0.3 -1.000 29.5-177.4-147.0 141.1 9.2 34.9 18.6 47 47 A V E + S 0 218B 24 -2,-0.3 -24,-3.3 171,-0.2 2,-0.3 -0.993 10.4 166.6-136.9 142.3 6.6 32.1 18.4 48 48 A G E +RS 22 217B 0 169,-2.2 169,-2.0 -2,-0.3 2,-0.3 -0.988 6.1 177.3-156.7 147.9 7.1 28.4 17.5 49 49 A R E -RS 21 216B 1 -28,-2.3 -28,-2.8 -2,-0.3 2,-0.3 -0.977 10.9-158.2-148.5 158.2 5.3 25.1 17.7 50 50 A I E -RS 20 215B 0 165,-2.0 165,-2.1 -2,-0.3 2,-0.3 -0.984 8.5-172.8-137.0 147.0 5.7 21.5 16.7 51 51 A L E -RS 19 214B 2 -32,-1.6 -32,-3.1 -2,-0.3 2,-0.3 -0.982 31.0-112.3-137.1 147.4 3.0 18.8 16.1 52 52 A F E -R 18 0B 0 161,-2.3 161,-0.3 -2,-0.3 -34,-0.2 -0.638 28.4-133.4 -78.0 141.1 3.3 15.1 15.5 53 53 A S S S+ 0 0 26 -36,-2.9 2,-0.2 -2,-0.3 -1,-0.1 0.878 81.2 80.8 -65.0 -42.5 2.2 14.3 11.9 54 54 A A S S- 0 0 1 -37,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.459 83.2-123.0 -69.7 136.4 0.0 11.3 12.6 55 55 A Q - 0 0 31 -2,-0.2 2,-0.4 157,-0.1 157,-0.2 -0.543 19.5-133.5 -79.9 145.4 -3.5 12.2 13.8 56 56 A V E -Y 211 0D 2 155,-3.1 155,-2.4 -2,-0.2 2,-1.3 -0.851 7.5-135.5-103.1 132.0 -4.7 10.8 17.2 57 57 A H E +Y 210 0D 10 -2,-0.4 153,-0.2 -56,-0.4 3,-0.1 -0.714 30.1 172.8 -87.6 95.7 -8.1 9.2 17.5 58 58 A L - 0 0 4 151,-1.8 9,-3.4 -2,-1.3 2,-0.3 0.829 63.1 -6.2 -73.8 -37.0 -9.2 10.8 20.8 59 59 A W E -E 66 0A 39 150,-1.3 2,-0.5 7,-0.2 7,-0.2 -0.989 57.7-140.7-157.8 157.8 -12.8 9.5 20.7 60 60 A E E >> -E 65 0A 13 5,-2.4 4,-1.4 -2,-0.3 5,-1.0 -0.966 1.2-162.0-129.3 115.4 -15.2 7.7 18.5 61 61 A K T 45S+ 0 0 160 -2,-0.5 -1,-0.1 1,-0.2 5,-0.0 0.840 90.5 54.1 -62.0 -36.6 -18.9 8.6 18.2 62 62 A S T 45S+ 0 0 107 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.928 118.8 30.1 -66.7 -48.1 -19.9 5.3 16.7 63 63 A S T 45S- 0 0 28 2,-0.1 -1,-0.2 176,-0.0 -2,-0.2 0.554 100.9-128.1 -89.1 -9.5 -18.5 3.0 19.4 64 64 A S T <5 + 0 0 76 -4,-1.4 176,-0.4 1,-0.2 2,-0.2 0.758 59.6 147.0 67.3 24.8 -18.9 5.5 22.2 65 65 A R E < -E 60 0A 21 -5,-1.0 -5,-2.4 174,-0.1 2,-0.4 -0.615 33.4-162.9 -93.9 153.7 -15.2 5.0 23.1 66 66 A V E -EF 59 238A 18 172,-2.0 172,-1.8 -7,-0.2 -7,-0.2 -0.997 19.9-121.6-135.0 138.3 -12.9 7.6 24.5 67 67 A A E - F 0 237A 0 -9,-3.4 2,-0.3 -2,-0.4 170,-0.3 -0.476 10.2-146.5 -83.3 149.5 -9.1 7.4 24.5 68 68 A N E - F 0 236A 52 168,-2.1 168,-1.8 -2,-0.2 2,-0.3 -0.742 26.8-174.1-101.0 155.7 -6.8 7.5 27.5 69 69 A F E -GF 176 235A 6 107,-1.5 107,-2.6 -2,-0.3 2,-0.4 -0.993 19.5-162.4-153.1 156.0 -3.5 9.2 26.8 70 70 A Q E -GF 175 234A 79 164,-2.2 164,-1.7 -2,-0.3 2,-0.5 -0.988 5.6-171.6-141.4 128.9 -0.2 9.8 28.6 71 71 A S E -GF 174 233A 0 103,-2.9 103,-2.9 -2,-0.4 2,-0.4 -0.990 3.8-174.6-125.5 123.9 2.3 12.4 27.5 72 72 A Q E +GF 173 232A 105 160,-2.6 160,-2.8 -2,-0.5 2,-0.3 -0.973 18.4 147.5-120.0 130.5 5.7 12.5 29.2 73 73 A F E -GF 172 231A 2 99,-2.2 99,-3.3 -2,-0.4 2,-0.4 -0.982 30.6-146.5-156.0 164.9 8.3 15.2 28.3 74 74 A S E +GF 171 230A 9 156,-1.5 155,-2.4 -2,-0.3 156,-1.2 -0.991 20.0 169.7-137.2 144.3 11.1 17.3 29.7 75 75 A F E -GF 170 228A 3 95,-1.4 95,-2.7 -2,-0.4 2,-0.3 -0.961 16.7-149.9-147.9 165.2 12.1 20.9 28.9 76 76 A S E - F 0 227A 16 151,-1.9 151,-2.4 -2,-0.3 2,-0.4 -0.982 5.9-150.6-139.3 149.9 14.4 23.6 30.2 77 77 A L E - F 0 226A 6 88,-0.4 90,-3.5 91,-0.4 2,-0.4 -0.968 16.1-179.4-121.9 136.1 14.2 27.4 30.1 78 78 A K E + F 0 225A 34 147,-0.7 147,-2.7 -2,-0.4 4,-0.1 -0.999 5.8 164.4-138.6 140.6 17.2 29.7 30.0 79 79 A S - 0 0 12 -2,-0.4 5,-0.1 145,-0.2 145,-0.1 -0.973 41.1-137.6-157.9 140.1 17.6 33.5 29.9 80 80 A P S S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 144,-0.1 0.788 102.6 52.6 -63.9 -26.2 20.3 36.1 30.5 81 81 A L S S- 0 0 73 142,-0.3 -2,-0.2 1,-0.1 143,-0.0 0.480 84.6-134.9 -79.6-136.1 17.6 38.0 32.3 82 82 A S S S+ 0 0 90 -4,-0.1 2,-0.8 142,-0.0 -1,-0.1 0.217 93.8 71.4-157.9 -35.6 15.5 36.5 35.1 83 83 A N S S+ 0 0 107 49,-0.0 48,-0.0 2,-0.0 141,-0.0 -0.240 75.5 175.2 -85.1 43.5 12.0 37.6 34.1 84 84 A G - 0 0 0 -2,-0.8 2,-0.3 138,-0.1 140,-0.2 -0.166 19.5-114.7 -53.0 145.5 12.1 35.2 31.2 85 85 A A - 0 0 0 135,-0.1 139,-0.3 47,-0.1 2,-0.1 -0.945 47.6 -11.1-143.9 162.9 8.9 35.0 29.2 86 86 A D - 0 0 5 -2,-0.3 45,-1.4 137,-0.2 46,-0.8 -0.953 67.3-124.8-109.9 -22.4 6.5 33.7 28.1 87 87 A G E -TU 130 218B 0 131,-0.9 131,-1.3 43,-0.2 2,-0.3 -0.755 11.9 -98.8 141.8 171.7 6.2 30.0 28.6 88 88 A I E -TU 129 217B 1 41,-1.4 41,-2.5 -2,-0.2 2,-0.3 -0.910 28.9-166.7-127.0 152.5 5.7 26.6 26.9 89 89 A A E -TU 128 216B 0 127,-2.6 127,-2.3 -2,-0.3 2,-0.5 -1.000 20.5-141.9-146.2 141.7 2.6 24.5 26.6 90 90 A F E -TU 127 215B 3 37,-2.2 37,-2.7 -2,-0.3 2,-0.3 -0.859 39.9-178.8 -93.3 130.7 1.7 21.0 25.6 91 91 A F E -TU 126 214B 1 123,-2.6 123,-2.1 -2,-0.5 2,-0.4 -0.944 30.3-154.0-138.9 161.6 -1.5 21.2 23.6 92 92 A I E +TU 125 213B 5 33,-2.5 33,-1.9 -2,-0.3 121,-0.2 -0.997 33.6 147.9-128.6 131.8 -4.1 19.1 21.8 93 93 A A E - 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