==== 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 1Q8O . 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) . 18342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 69.4 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 . 211 44.0 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 . 53 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.1 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 6 2 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 7 0, 0.0 56,-0.3 0, 0.0 248,-0.2 0.000 360.0 360.0 360.0 141.4 -5.5 2.8 14.6 2 2 A D + 0 0 16 246,-1.7 235,-2.0 249,-0.2 2,-0.4 0.804 360.0 31.1 -69.9 -30.7 -7.2 2.2 18.0 3 3 A S E +AB 236 248A 37 245,-1.3 245,-1.9 233,-0.2 2,-0.3 -0.977 66.5 172.8-132.9 146.1 -3.8 2.6 19.6 4 4 A L E +AB 235 247A 5 231,-2.1 231,-2.3 -2,-0.4 2,-0.3 -0.993 1.1 169.3-150.4 141.6 -0.7 4.7 18.8 5 5 A S E +AB 234 246A 29 241,-2.4 241,-2.2 -2,-0.3 2,-0.3 -0.986 2.9 173.2-155.1 146.5 2.5 5.4 20.5 6 6 A F E -AB 233 245A 4 227,-2.0 227,-2.9 -2,-0.3 2,-0.4 -0.978 13.6-153.2-149.8 151.7 5.8 7.0 19.6 7 7 A G E -AB 232 244A 5 237,-2.2 236,-1.6 -2,-0.3 237,-1.3 -0.991 10.8-171.0-139.0 131.0 8.9 7.9 21.6 8 8 A F E +A 231 0A 2 223,-3.4 223,-2.1 -2,-0.4 3,-0.1 -0.854 6.5 176.0-116.3 89.6 11.6 10.5 21.2 9 9 A P S S- 0 0 75 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.898 82.2 -10.6 -58.8 -37.1 14.3 9.9 23.7 10 10 A T S S- 0 0 55 -3,-0.1 20,-0.2 221,-0.1 233,-0.2 -0.799 77.5-108.4-144.0-175.8 16.1 12.8 22.0 11 11 A F - 0 0 0 18,-2.3 18,-0.2 -2,-0.2 19,-0.2 -0.706 28.6-166.7-128.1 81.6 15.6 14.8 18.8 12 12 A P - 0 0 18 0, 0.0 15,-0.0 0, 0.0 14,-0.0 -0.239 34.1-113.8 -60.1 157.2 18.1 14.0 16.0 13 13 A S S S+ 0 0 107 1,-0.2 2,-1.5 13,-0.1 13,-0.1 0.655 101.3 82.9 -71.2 -13.7 18.0 16.6 13.2 14 14 A D + 0 0 61 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.495 64.0 163.1 -90.3 68.6 16.8 14.0 10.6 15 15 A Q + 0 0 28 -2,-1.5 -2,-0.0 1,-0.1 11,-0.0 -0.669 19.2 167.0 -91.5 142.6 13.1 14.2 11.5 16 16 A K S S+ 0 0 97 -2,-0.3 -1,-0.1 280,-0.1 281,-0.1 0.633 74.2 47.0-121.5 -28.5 10.3 12.9 9.2 17 17 A N S S+ 0 0 2 279,-0.1 36,-3.0 278,-0.1 2,-0.5 0.111 87.6 98.3-107.1 22.2 7.1 12.8 11.3 18 18 A L E -R 52 0B 17 34,-0.2 2,-0.7 35,-0.1 34,-0.2 -0.939 59.2-148.8-114.6 130.5 7.2 16.2 12.9 19 19 A I E -R 51 0B 50 32,-3.4 32,-1.5 -2,-0.5 2,-0.5 -0.866 18.0-158.0 -94.3 116.2 5.3 19.2 11.6 20 20 A F E -R 50 0B 78 -2,-0.7 2,-0.4 30,-0.2 30,-0.2 -0.848 12.5-178.3 -98.7 130.1 7.3 22.3 12.4 21 21 A Q E > -R 49 0B 30 28,-3.0 28,-2.2 -2,-0.5 3,-1.4 -0.953 51.6 -11.1-127.3 148.1 5.5 25.6 12.6 22 22 A G E 3 S-R 48 0B 55 -2,-0.4 26,-0.3 1,-0.2 12,-0.1 -0.446 126.2 -21.9 69.5-134.6 6.8 29.1 13.2 23 23 A D T 3 S+ 0 0 59 24,-3.1 -1,-0.2 10,-0.3 25,-0.2 0.291 94.9 131.3 -95.8 9.2 10.4 29.2 14.4 24 24 A A < + 0 0 10 -3,-1.4 2,-0.3 25,-0.2 9,-0.2 -0.365 26.1 148.1 -65.6 139.2 10.6 25.7 15.8 25 25 A Q E -C 32 0A 87 7,-1.6 7,-3.0 9,-0.1 2,-0.3 -0.981 46.9 -93.9-164.4 161.3 13.6 23.7 14.7 26 26 A I E +C 31 0A 24 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.663 42.0 165.1 -86.4 136.3 16.0 21.0 15.9 27 27 A K E > -C 30 0A 59 3,-3.1 3,-0.7 -2,-0.3 -16,-0.1 -0.926 66.2 -6.5-153.2 124.1 19.3 22.0 17.5 28 28 A N T 3 S- 0 0 151 -2,-0.3 -17,-0.1 1,-0.2 3,-0.1 0.938 127.3 -56.3 57.1 50.2 21.7 19.8 19.6 29 29 A N T 3 S+ 0 0 91 1,-0.2 -18,-2.3 -18,-0.2 2,-0.3 0.762 122.8 95.0 53.8 29.2 19.3 16.8 19.5 30 30 A A E < S-C 27 0A 10 -3,-0.7 -3,-3.1 -20,-0.2 2,-0.7 -0.952 79.9-108.8-142.2 160.3 16.6 18.9 21.0 31 31 A V E -CD 26 228A 0 197,-2.8 197,-2.6 -2,-0.3 2,-1.1 -0.841 21.3-159.1 -97.1 117.1 13.7 21.0 19.7 32 32 A Q E -CD 25 227A 17 -7,-3.0 -7,-1.6 -2,-0.7 195,-0.2 -0.831 10.1-176.4 -93.1 99.0 14.1 24.7 20.1 33 33 A L + 0 0 0 193,-2.0 2,-0.3 -2,-1.1 -10,-0.3 0.884 67.8 49.3 -64.7 -39.9 10.5 25.9 19.9 34 34 A T S S- 0 0 1 192,-0.4 192,-0.2 -3,-0.1 -9,-0.1 -0.759 100.0 -92.9-104.4 151.3 11.5 29.5 20.0 35 35 A K - 0 0 59 -2,-0.3 8,-1.6 184,-0.1 2,-0.3 -0.225 38.8-171.9 -62.0 143.1 14.1 31.2 17.9 36 36 A T B -X 42 0C 14 6,-0.2 -4,-0.0 -4,-0.1 -1,-0.0 -0.946 19.5-119.0-133.3 154.1 17.7 31.6 19.1 37 37 A D > - 0 0 55 4,-2.4 3,-1.7 -2,-0.3 -1,-0.1 -0.065 46.4 -76.5 -81.9-171.2 20.6 33.6 17.6 38 38 A S T 3 S+ 0 0 129 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.893 132.0 45.7 -53.8 -48.7 24.0 32.3 16.3 39 39 A N T 3 S- 0 0 116 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.303 123.6-102.4 -81.7 10.6 25.5 31.8 19.8 40 40 A G S < S+ 0 0 37 -3,-1.7 -2,-0.1 1,-0.2 185,-0.1 0.612 71.1 145.7 82.9 13.7 22.3 30.1 21.0 41 41 A N - 0 0 68 1,-0.1 -4,-2.4 38,-0.0 -1,-0.2 -0.631 53.0-105.7 -87.9 143.8 20.7 32.9 23.0 42 42 A P B -X 36 0C 11 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.326 35.9-153.6 -64.9 144.0 16.9 33.4 23.1 43 43 A V - 0 0 39 -8,-1.6 181,-0.3 181,-0.2 3,-0.2 -0.771 15.6-104.8-118.1 164.2 15.4 36.3 21.1 44 44 A A S S+ 0 0 41 -2,-0.3 177,-0.2 1,-0.2 176,-0.2 -0.330 90.3 29.4 -82.2 167.2 12.3 38.4 21.4 45 45 A S S S+ 0 0 99 175,-2.8 2,-0.3 177,-0.2 175,-0.2 0.948 82.8 137.0 47.7 71.2 9.1 38.1 19.3 46 46 A T E - S 0 219B 4 173,-2.2 173,-2.4 -3,-0.2 2,-0.3 -0.986 29.4-177.8-149.9 135.2 9.2 34.4 18.4 47 47 A V E + S 0 218B 22 -2,-0.3 -24,-3.1 171,-0.2 2,-0.3 -0.958 10.9 168.1-128.6 147.2 6.6 31.6 18.3 48 48 A G E +RS 22 217B 0 169,-2.3 169,-2.2 -2,-0.3 2,-0.3 -0.980 5.8 174.6-159.4 147.8 7.2 28.0 17.4 49 49 A R E -RS 21 216B 1 -28,-2.2 -28,-3.0 -2,-0.3 2,-0.3 -0.983 12.4-156.9-152.5 156.8 5.3 24.7 17.6 50 50 A I E -RS 20 215B 0 165,-1.8 165,-1.9 -2,-0.3 2,-0.3 -0.957 8.5-170.4-133.8 150.9 5.7 21.1 16.5 51 51 A L E -RS 19 214B 2 -32,-1.5 -32,-3.4 -2,-0.3 2,-0.3 -0.993 29.8-114.2-141.3 141.0 3.0 18.5 15.9 52 52 A F E -R 18 0B 0 161,-2.2 161,-0.2 -2,-0.3 -34,-0.2 -0.600 27.6-133.9 -74.8 138.7 3.4 14.7 15.4 53 53 A S S S+ 0 0 26 -36,-3.0 2,-0.3 -2,-0.3 -1,-0.1 0.885 82.0 82.8 -62.6 -43.3 2.3 14.0 11.8 54 54 A A S S- 0 0 0 -37,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.481 84.0-124.1 -68.9 129.0 0.1 11.0 12.6 55 55 A Q - 0 0 29 -2,-0.3 2,-0.4 157,-0.1 157,-0.2 -0.468 20.5-132.1 -73.1 141.2 -3.4 11.9 13.7 56 56 A V E -Y 211 0D 2 155,-3.1 155,-2.6 -2,-0.2 2,-1.4 -0.819 7.8-133.5 -99.1 133.8 -4.5 10.6 17.1 57 57 A H E +Y 210 0D 8 -2,-0.4 153,-0.2 -56,-0.3 3,-0.1 -0.701 30.6 173.8 -87.9 92.4 -7.9 9.0 17.5 58 58 A L - 0 0 2 151,-1.8 9,-3.4 -2,-1.4 2,-0.3 0.815 64.0 -7.9 -69.2 -37.2 -9.0 10.7 20.7 59 59 A W E -E 66 0A 39 150,-1.2 2,-0.5 7,-0.3 7,-0.2 -0.983 56.5-142.1-160.0 156.8 -12.5 9.3 20.7 60 60 A E E >> -E 65 0A 11 5,-2.9 5,-1.7 -2,-0.3 4,-0.8 -0.937 3.9-163.1-130.8 108.4 -14.8 7.3 18.5 61 61 A K T 45S+ 0 0 160 -2,-0.5 3,-0.5 1,-0.2 -1,-0.1 0.856 88.5 55.8 -56.1 -41.6 -18.5 8.2 18.4 62 62 A S T 45S+ 0 0 107 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.903 117.1 32.6 -62.7 -43.2 -19.6 4.9 16.8 63 63 A S T 45S- 0 0 21 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.391 104.1-124.4 -95.4 3.7 -18.1 2.6 19.5 64 64 A S T <5 + 0 0 83 -4,-0.8 176,-0.4 -3,-0.5 2,-0.3 0.836 62.0 147.4 57.4 34.0 -18.6 5.1 22.3 65 65 A R E < -E 60 0A 21 -5,-1.7 -5,-2.9 174,-0.1 2,-0.4 -0.780 33.6-167.6-106.2 147.9 -14.9 4.9 23.1 66 66 A V E -EF 59 238A 18 172,-2.0 172,-1.9 -2,-0.3 -7,-0.3 -0.990 27.8-113.0-130.0 138.1 -12.6 7.6 24.4 67 67 A A E - F 0 237A 0 -9,-3.4 2,-0.6 -2,-0.4 170,-0.3 -0.415 11.8-144.0 -76.3 144.4 -8.8 7.3 24.4 68 68 A N E - F 0 236A 52 168,-2.8 168,-2.1 -2,-0.1 2,-0.3 -0.927 33.4-176.9 -99.8 124.6 -6.7 7.0 27.5 69 69 A F E -GF 176 235A 4 107,-1.2 107,-2.7 -2,-0.6 2,-0.4 -0.926 21.7-166.2-130.4 156.9 -3.5 8.9 26.7 70 70 A Q E -GF 175 234A 79 164,-2.5 164,-1.8 -2,-0.3 2,-0.5 -0.994 2.6-170.3-140.3 128.8 -0.2 9.6 28.4 71 71 A S E -GF 174 233A 0 103,-3.3 103,-2.7 -2,-0.4 2,-0.4 -0.976 6.6-177.6-124.6 116.4 2.3 12.2 27.3 72 72 A Q E +GF 173 232A 47 160,-2.3 160,-3.1 -2,-0.5 2,-0.3 -0.947 19.1 141.3-114.6 133.6 5.6 12.2 29.0 73 73 A F E -GF 172 231A 4 99,-2.1 99,-3.2 -2,-0.4 2,-0.3 -0.980 33.1-143.1-161.8 166.9 8.2 14.9 28.1 74 74 A S E +GF 171 230A 12 156,-1.7 155,-2.5 -2,-0.3 156,-1.2 -0.992 18.8 172.1-140.2 146.9 10.9 17.1 29.5 75 75 A F E -GF 170 228A 3 95,-1.4 95,-3.1 -2,-0.3 2,-0.3 -0.953 15.5-150.6-147.5 165.9 12.0 20.6 28.8 76 76 A S E - F 0 227A 15 151,-1.6 151,-2.5 -2,-0.3 2,-0.4 -0.984 7.7-147.6-140.3 149.3 14.3 23.3 30.1 77 77 A L E - F 0 226A 5 88,-0.5 90,-3.9 91,-0.4 2,-0.4 -0.971 16.1-177.8-120.9 132.3 14.1 27.1 29.9 78 78 A K E + F 0 225A 35 147,-0.8 147,-3.0 -2,-0.4 3,-0.1 -0.993 7.9 161.6-132.0 138.6 17.1 29.3 29.7 79 79 A S - 0 0 10 -2,-0.4 5,-0.1 145,-0.2 145,-0.1 -0.944 40.9-142.2-160.0 134.7 17.4 33.1 29.7 80 80 A P S S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 144,-0.1 0.853 99.3 59.1 -61.9 -34.0 20.0 35.8 30.3 81 81 A L S S- 0 0 60 142,-0.3 -2,-0.2 -3,-0.1 3,-0.1 -0.175 83.4-138.4 -80.1-176.4 17.2 37.7 31.9 82 82 A S S S+ 0 0 104 1,-0.1 -1,-0.1 -4,-0.1 142,-0.0 0.090 96.0 71.1-131.5 15.5 15.3 36.3 34.9 83 83 A N S S+ 0 0 100 140,-0.2 -1,-0.1 2,-0.1 48,-0.0 -0.332 74.7 173.5-120.9 39.9 11.9 37.4 33.6 84 84 A G - 0 0 1 -3,-0.1 2,-0.3 -5,-0.1 140,-0.2 -0.240 22.7-115.4 -54.9 139.5 12.0 34.8 30.9 85 85 A A - 0 0 0 135,-0.1 139,-0.2 47,-0.1 2,-0.1 -0.918 48.0 -13.5-137.3 162.4 8.8 34.6 28.9 86 86 A D - 0 0 4 -2,-0.3 45,-1.1 137,-0.2 46,-1.0 -0.973 68.0-124.6-113.2 -14.9 6.4 33.4 27.9 87 87 A G E -TU 130 218B 0 131,-0.7 131,-1.2 43,-0.2 2,-0.3 -0.719 15.3 -95.0 136.2 173.2 6.2 29.6 28.5 88 88 A I E -TU 129 217B 1 41,-1.4 41,-2.4 -2,-0.2 2,-0.4 -0.924 29.9-164.9-126.5 149.8 5.7 26.3 26.8 89 89 A A E -TU 128 216B 0 127,-2.9 127,-2.4 -2,-0.3 2,-0.5 -0.997 18.2-144.4-142.3 137.9 2.6 24.3 26.4 90 90 A F E +TU 127 215B 3 37,-2.5 37,-2.9 -2,-0.4 2,-0.3 -0.837 39.1 179.9 -90.7 132.7 1.7 20.7 25.5 91 91 A F E -TU 126 214B 0 123,-2.6 123,-2.1 -2,-0.5 2,-0.4 -0.946 32.3-153.1-140.6 163.7 -1.5 20.8 23.4 92 92 A I E +TU 125 213B 4 33,-2.4 33,-1.9 -2,-0.3 121,-0.2 -1.000 33.5 151.8-131.2 125.2 -4.1 18.8 21.6 93 93 A A E - 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