==== 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 1Q8V . 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) . 18876.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 67.8 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 . 212 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 . 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 6 2 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 9 0, 0.0 56,-0.4 0, 0.0 249,-0.2 0.000 360.0 360.0 360.0 145.0 -5.7 3.0 14.8 2 2 A D + 0 0 18 247,-1.9 235,-2.2 250,-0.2 2,-0.3 0.765 360.0 33.0 -74.1 -26.5 -7.3 2.3 18.1 3 3 A S E +AB 236 249A 38 246,-1.3 246,-1.8 233,-0.2 2,-0.3 -0.978 64.3 172.8-134.3 147.2 -3.8 2.7 19.7 4 4 A L E +AB 235 248A 6 231,-2.1 231,-2.2 -2,-0.3 2,-0.3 -0.982 2.3 170.3-151.9 137.0 -0.7 4.8 18.9 5 5 A S E +AB 234 247A 29 242,-2.5 242,-2.4 -2,-0.3 2,-0.3 -0.996 0.1 169.1-148.9 147.6 2.5 5.4 20.7 6 6 A F E -AB 233 246A 4 227,-2.2 227,-2.8 -2,-0.3 2,-0.4 -0.984 13.0-156.1-154.6 154.3 5.8 7.0 19.9 7 7 A G E -AB 232 245A 7 238,-1.9 237,-1.7 -2,-0.3 238,-1.3 -0.984 11.4-171.0-144.5 131.9 8.9 8.1 21.8 8 8 A F E +A 231 0A 4 223,-3.5 223,-2.2 -2,-0.4 3,-0.1 -0.889 5.5 177.7-117.0 93.9 11.7 10.6 21.2 9 9 A P S S- 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.854 82.2 -9.2 -62.9 -32.8 14.4 10.0 23.8 10 10 A T S S- 0 0 62 -3,-0.1 20,-0.2 221,-0.1 234,-0.2 -0.860 78.3-109.8-148.9 177.0 16.2 12.9 22.1 11 11 A F - 0 0 0 18,-2.3 18,-0.2 -2,-0.3 19,-0.1 -0.732 29.6-162.3-122.8 83.8 15.6 14.8 18.9 12 12 A P - 0 0 18 0, 0.0 14,-0.0 0, 0.0 15,-0.0 -0.201 33.0-110.6 -58.9 155.8 18.2 14.1 16.1 13 13 A S S S+ 0 0 103 1,-0.2 2,-1.2 13,-0.0 13,-0.2 0.787 103.0 78.7 -60.3 -29.2 18.4 16.6 13.3 14 14 A D + 0 0 68 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.675 63.6 163.4 -88.0 92.4 17.0 14.1 10.8 15 15 A Q + 0 0 29 -2,-1.2 11,-0.0 1,-0.1 -4,-0.0 -0.873 19.8 167.4-111.7 143.4 13.2 14.2 11.5 16 16 A K S S+ 0 0 98 -2,-0.4 -1,-0.1 281,-0.1 282,-0.0 0.612 74.8 49.8-123.4 -27.0 10.4 13.0 9.2 17 17 A N S S+ 0 0 3 280,-0.1 36,-2.8 279,-0.1 2,-0.4 0.134 86.8 96.5-105.7 20.6 7.3 12.9 11.4 18 18 A L E -R 52 0B 16 34,-0.2 2,-0.7 35,-0.1 34,-0.2 -0.925 59.4-147.8-115.0 135.0 7.3 16.3 12.9 19 19 A I E -R 51 0B 53 32,-3.0 32,-1.5 -2,-0.4 2,-0.4 -0.891 18.3-156.5 -98.7 116.6 5.4 19.4 11.6 20 20 A F E -R 50 0B 81 -2,-0.7 2,-0.4 30,-0.2 30,-0.2 -0.819 12.9-178.2 -97.2 131.9 7.4 22.5 12.4 21 21 A Q E > -R 49 0B 30 28,-2.8 28,-2.3 -2,-0.4 3,-1.3 -0.965 51.5 -14.4-129.1 146.0 5.5 25.8 12.6 22 22 A G E 3 S-R 48 0B 57 -2,-0.4 26,-0.3 26,-0.2 12,-0.1 -0.411 125.4 -19.7 67.9-136.6 6.9 29.3 13.2 23 23 A D T 3 S+ 0 0 62 24,-3.5 -1,-0.2 10,-0.2 25,-0.2 0.354 94.5 132.0 -90.6 6.2 10.5 29.5 14.5 24 24 A A < + 0 0 10 -3,-1.3 2,-0.3 25,-0.2 9,-0.2 -0.307 26.2 151.1 -63.5 137.8 10.7 25.9 15.8 25 25 A Q E -C 32 0A 87 7,-1.8 7,-3.2 9,-0.1 2,-0.4 -0.990 46.6 -96.1-163.2 158.2 13.8 23.9 14.8 26 26 A I E +C 31 0A 26 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.644 40.7 171.5 -81.9 131.3 16.2 21.1 15.9 27 27 A K E > -C 30 0A 89 3,-3.1 3,-0.8 -2,-0.4 -16,-0.1 -0.957 65.5 -18.3-143.8 118.6 19.4 22.2 17.6 28 28 A N T 3 S- 0 0 155 -2,-0.4 3,-0.1 1,-0.2 -17,-0.1 0.919 126.2 -49.1 50.4 54.8 21.9 19.9 19.3 29 29 A N T 3 S+ 0 0 100 -18,-0.2 -18,-2.3 1,-0.2 2,-0.3 0.697 124.0 90.3 61.2 23.2 19.5 16.9 19.7 30 30 A A E < S-C 27 0A 11 -3,-0.8 -3,-3.1 -20,-0.2 2,-0.6 -0.966 79.8-110.5-143.1 156.9 16.7 19.1 21.2 31 31 A V E -CD 26 228A 0 197,-2.6 197,-2.6 -2,-0.3 2,-0.9 -0.817 22.1-157.7 -93.5 122.0 13.8 21.1 19.8 32 32 A Q E -CD 25 227A 23 -7,-3.2 -7,-1.8 -2,-0.6 195,-0.2 -0.867 8.7-174.5 -97.6 102.4 14.2 24.8 20.2 33 33 A L + 0 0 0 193,-2.2 2,-0.3 -2,-0.9 -10,-0.2 0.886 68.6 46.6 -66.2 -39.2 10.6 26.1 20.0 34 34 A T S S- 0 0 1 192,-0.4 192,-0.2 -3,-0.1 -9,-0.1 -0.801 98.5 -92.5-108.5 149.7 11.7 29.8 20.1 35 35 A K - 0 0 59 -2,-0.3 8,-1.4 184,-0.1 2,-0.3 -0.144 38.8-173.2 -58.9 145.9 14.4 31.5 18.0 36 36 A T B -X 42 0C 22 6,-0.2 -4,-0.0 -4,-0.1 -1,-0.0 -0.971 22.7-114.1-138.4 151.7 17.9 31.9 19.2 37 37 A D > - 0 0 55 4,-2.8 3,-1.5 -2,-0.3 -1,-0.1 -0.028 46.2 -85.1 -74.2-174.6 20.9 33.8 17.8 38 38 A S T 3 S+ 0 0 131 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.760 130.2 57.4 -65.0 -25.1 24.1 32.1 16.5 39 39 A N T 3 S- 0 0 135 2,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.541 120.0-110.1 -82.3 -7.9 25.5 32.1 20.0 40 40 A G S < S+ 0 0 40 -3,-1.5 -2,-0.1 1,-0.3 185,-0.1 0.564 72.7 139.8 89.8 9.4 22.5 30.1 21.1 41 41 A N - 0 0 80 1,-0.1 -4,-2.8 183,-0.0 -1,-0.3 -0.650 56.3-104.4 -89.6 143.8 21.0 33.0 23.1 42 42 A P B -X 36 0C 12 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.246 33.4-156.1 -64.1 150.8 17.2 33.7 23.2 43 43 A V - 0 0 41 -8,-1.4 181,-0.3 181,-0.2 3,-0.1 -0.858 18.1-104.7-126.3 161.3 15.8 36.6 21.2 44 44 A A S S+ 0 0 43 -2,-0.3 177,-0.2 1,-0.2 176,-0.2 -0.367 88.9 31.5 -83.5 164.6 12.6 38.6 21.5 45 45 A S S S+ 0 0 101 175,-2.4 2,-0.3 177,-0.2 175,-0.2 0.969 81.3 134.6 54.5 70.0 9.4 38.3 19.4 46 46 A T E - S 0 219B 5 173,-2.0 173,-2.2 -3,-0.1 2,-0.3 -0.999 30.2-176.3-149.0 142.7 9.4 34.7 18.4 47 47 A V E + S 0 218B 23 -2,-0.3 -24,-3.5 171,-0.2 2,-0.3 -0.987 11.3 166.1-136.6 144.7 6.8 31.9 18.3 48 48 A G E +RS 22 217B 0 169,-2.1 169,-1.8 -2,-0.3 2,-0.3 -0.980 6.7 178.0-159.9 147.5 7.2 28.2 17.4 49 49 A R E -RS 21 216B 2 -28,-2.3 -28,-2.8 -2,-0.3 2,-0.3 -0.975 10.8-157.5-148.4 158.8 5.4 25.0 17.6 50 50 A I E -RS 20 215B 0 165,-1.9 165,-2.0 -2,-0.3 2,-0.3 -0.983 8.4-172.2-137.2 147.9 5.7 21.3 16.6 51 51 A L E -RS 19 214B 2 -32,-1.5 -32,-3.0 -2,-0.3 2,-0.3 -0.978 31.0-112.3-137.1 148.2 3.1 18.7 16.1 52 52 A F E -R 18 0B 0 161,-2.2 161,-0.3 -2,-0.3 -34,-0.2 -0.662 28.8-133.6 -79.1 141.2 3.4 14.9 15.5 53 53 A S S S+ 0 0 25 -36,-2.8 2,-0.2 -2,-0.3 -1,-0.1 0.881 81.3 80.7 -65.4 -42.3 2.3 14.2 12.0 54 54 A A S S- 0 0 1 -37,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.460 83.7-122.5 -69.1 137.0 0.1 11.2 12.7 55 55 A Q - 0 0 28 -2,-0.2 2,-0.4 157,-0.1 157,-0.2 -0.555 19.5-133.0 -80.8 143.5 -3.4 12.1 13.9 56 56 A V E -Y 211 0D 4 155,-3.2 155,-2.4 -2,-0.2 2,-1.3 -0.829 8.6-134.6 -99.7 132.8 -4.6 10.7 17.2 57 57 A H E +Y 210 0D 11 -2,-0.4 153,-0.2 -56,-0.4 3,-0.1 -0.713 30.6 173.4 -88.2 94.1 -8.0 9.1 17.6 58 58 A L - 0 0 3 151,-1.7 9,-3.4 -2,-1.3 2,-0.3 0.848 63.0 -4.0 -70.7 -40.0 -9.2 10.8 20.8 59 59 A W E -E 66 0A 38 150,-1.3 2,-0.5 7,-0.2 7,-0.2 -0.993 57.8-141.9-155.2 155.1 -12.7 9.5 20.8 60 60 A E E >> -E 65 0A 12 5,-2.6 5,-1.3 -2,-0.3 4,-1.0 -0.959 3.0-164.7-126.2 113.8 -15.1 7.5 18.6 61 61 A K T 45S+ 0 0 157 -2,-0.5 3,-0.3 1,-0.2 -1,-0.1 0.885 88.6 54.6 -61.1 -43.0 -18.7 8.5 18.4 62 62 A S T 45S+ 0 0 110 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.796 118.2 32.2 -65.3 -31.6 -19.9 5.1 16.8 63 63 A S T 45S- 0 0 24 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.445 101.1-124.6-106.3 -1.7 -18.4 2.9 19.6 64 64 A S T <5 + 0 0 63 -4,-1.0 176,-1.1 -3,-0.3 2,-0.3 0.815 62.4 144.6 62.7 30.7 -18.8 5.3 22.5 65 65 A R E < -EF 60 239A 24 -5,-1.3 -5,-2.6 174,-0.2 2,-0.4 -0.766 33.8-166.2-104.3 149.1 -15.1 5.0 23.3 66 66 A V E -EF 59 238A 6 172,-2.1 172,-1.8 -2,-0.3 -7,-0.2 -0.992 24.3-117.6-131.0 139.2 -12.8 7.7 24.6 67 67 A A E - F 0 237A 0 -9,-3.4 2,-0.4 -2,-0.4 170,-0.3 -0.468 12.2-147.0 -80.4 144.9 -9.0 7.4 24.6 68 68 A N E - F 0 236A 54 168,-2.3 168,-2.1 -2,-0.2 2,-0.3 -0.807 29.6-176.4 -98.6 148.5 -6.8 7.4 27.7 69 69 A F E -GF 176 235A 10 107,-1.5 107,-2.4 -2,-0.4 2,-0.4 -0.985 21.8-162.4-147.7 161.2 -3.5 9.0 27.0 70 70 A Q E -GF 175 234A 83 164,-2.2 164,-2.0 -2,-0.3 2,-0.5 -0.990 3.7-172.1-144.0 132.6 -0.2 9.8 28.6 71 71 A S E -GF 174 233A 0 103,-2.8 103,-2.7 -2,-0.4 2,-0.5 -0.986 5.1-174.7-129.7 119.3 2.4 12.3 27.5 72 72 A Q E +GF 173 232A 92 160,-2.4 160,-2.7 -2,-0.5 2,-0.3 -0.957 18.7 148.9-115.7 131.2 5.8 12.4 29.2 73 73 A F E -GF 172 231A 1 99,-2.2 99,-3.4 -2,-0.5 2,-0.3 -0.979 30.5-146.8-155.5 165.1 8.3 15.1 28.4 74 74 A S E +GF 171 230A 9 156,-1.6 155,-2.4 -2,-0.3 156,-1.2 -0.994 19.8 169.4-137.9 143.4 11.1 17.2 29.7 75 75 A F E -GF 170 228A 3 95,-1.5 95,-2.9 -2,-0.3 2,-0.3 -0.956 16.9-150.9-147.4 165.5 12.1 20.8 28.9 76 76 A S E - F 0 227A 16 151,-1.8 151,-2.4 -2,-0.3 2,-0.4 -0.984 6.3-150.8-140.1 148.7 14.4 23.5 30.2 77 77 A L E - F 0 226A 6 88,-0.5 90,-3.2 91,-0.4 2,-0.4 -0.977 15.4-176.3-121.4 133.2 14.2 27.3 30.0 78 78 A K E + F 0 225A 35 147,-0.7 147,-2.7 -2,-0.4 3,-0.1 -0.993 9.4 158.4-132.8 139.5 17.3 29.5 29.9 79 79 A S - 0 0 13 -2,-0.4 5,-0.1 145,-0.2 145,-0.1 -0.949 44.0-139.6-163.4 139.2 17.6 33.3 29.9 80 80 A P S S+ 0 0 97 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.764 94.1 73.4 -66.0 -25.5 20.1 36.1 30.8 81 81 A L S S- 0 0 59 142,-0.3 3,-0.4 1,-0.1 -2,-0.1 -0.554 80.4-138.3 -88.4 154.4 17.1 37.9 32.3 82 82 A S S S+ 0 0 116 1,-0.2 2,-0.5 -2,-0.2 -1,-0.1 0.710 101.5 55.4 -84.2 -21.8 15.6 36.9 35.6 83 83 A N S S+ 0 0 88 140,-0.0 -1,-0.2 2,-0.0 140,-0.1 -0.524 78.6 176.9-109.1 62.7 12.1 37.4 34.2 84 84 A G - 0 0 0 -2,-0.5 2,-0.3 -3,-0.4 140,-0.2 -0.301 23.2-107.5 -64.6 151.7 12.2 35.2 31.2 85 85 A A - 0 0 0 135,-0.1 139,-0.3 2,-0.1 2,-0.1 -0.936 49.0 -13.2-145.3 165.0 9.0 34.9 29.1 86 86 A D - 0 0 5 -2,-0.3 45,-1.1 137,-0.2 46,-0.8 -0.959 67.3-122.7-109.8 -20.9 6.6 33.7 28.0 87 87 A G E -TU 130 218B 0 131,-0.9 131,-1.3 43,-0.2 2,-0.3 -0.742 11.4 -99.2 142.3 170.2 6.3 30.0 28.5 88 88 A I E -TU 129 217B 2 41,-1.5 41,-2.6 -2,-0.2 2,-0.4 -0.926 28.8-166.4-126.8 150.0 5.8 26.6 26.9 89 89 A A E -TU 128 216B 0 127,-2.8 127,-2.3 -2,-0.3 2,-0.5 -0.998 19.6-144.1-143.0 140.6 2.7 24.5 26.5 90 90 A F E -TU 127 215B 4 37,-2.2 37,-2.6 -2,-0.4 2,-0.3 -0.842 39.4-179.2 -92.9 133.8 1.8 20.9 25.6 91 91 A F E -TU 126 214B 2 123,-2.6 123,-2.2 -2,-0.5 2,-0.4 -0.957 31.3-154.3-142.1 162.2 -1.5 21.1 23.5 92 92 A I E +TU 125 213B 5 33,-2.3 33,-1.9 -2,-0.3 121,-0.2 -0.999 33.9 146.8-130.1 129.9 -4.1 19.0 21.7 93 93 A A E - 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