==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 21-AUG-03 1UKG . 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) . 18814.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 68.1 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 . 47 9.8 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 9 0, 0.0 56,-0.3 0, 0.0 248,-0.2 0.000 360.0 360.0 360.0 144.1 -5.6 3.0 14.7 2 2 A D + 0 0 18 246,-1.9 235,-2.1 249,-0.2 2,-0.4 0.778 360.0 33.1 -73.1 -27.9 -7.2 2.3 18.1 3 3 A S E +AB 236 248A 39 245,-1.3 245,-1.9 233,-0.2 2,-0.3 -0.977 65.0 172.5-133.2 145.7 -3.8 2.7 19.7 4 4 A L E +AB 235 247A 5 231,-2.1 231,-2.4 -2,-0.4 2,-0.3 -0.988 2.2 169.5-150.4 138.3 -0.8 4.8 18.9 5 5 A S E +AB 234 246A 29 241,-2.4 241,-2.3 -2,-0.3 2,-0.3 -0.994 1.5 171.8-150.7 148.4 2.5 5.4 20.7 6 6 A F E -AB 233 245A 5 227,-2.3 227,-2.5 -2,-0.3 2,-0.4 -0.986 13.1-153.9-153.4 152.7 5.8 7.1 19.9 7 7 A G E -AB 232 244A 7 237,-2.0 236,-1.7 -2,-0.3 237,-1.3 -0.990 10.7-173.3-139.8 131.5 8.9 8.0 21.8 8 8 A F E +A 231 0A 4 223,-3.4 223,-2.3 -2,-0.4 3,-0.1 -0.880 6.1 175.5-118.6 92.6 11.6 10.7 21.3 9 9 A P S S- 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.855 81.5 -8.3 -64.1 -33.3 14.4 10.2 23.9 10 10 A T S S- 0 0 56 -3,-0.1 20,-0.2 221,-0.1 233,-0.2 -0.862 77.6-110.7-148.2 177.4 16.2 13.0 22.1 11 11 A F - 0 0 0 18,-2.5 18,-0.2 -2,-0.3 19,-0.1 -0.730 28.9-164.6-124.3 84.0 15.6 15.0 18.9 12 12 A P - 0 0 23 0, 0.0 14,-0.0 0, 0.0 15,-0.0 -0.216 33.1-110.6 -61.1 157.5 18.2 14.2 16.1 13 13 A S S S+ 0 0 109 1,-0.2 2,-1.6 13,-0.0 13,-0.2 0.786 102.8 76.2 -61.9 -31.8 18.3 16.7 13.2 14 14 A D + 0 0 64 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.594 65.3 165.5 -86.1 82.5 16.8 14.4 10.6 15 15 A Q + 0 0 28 -2,-1.6 -2,-0.0 1,-0.1 11,-0.0 -0.749 18.2 169.8 -98.7 145.3 13.1 14.4 11.5 16 16 A K S S+ 0 0 93 -2,-0.3 -1,-0.1 280,-0.1 281,-0.0 0.622 73.7 48.4-123.3 -26.9 10.4 13.0 9.2 17 17 A N S S+ 0 0 2 279,-0.1 36,-3.0 278,-0.1 2,-0.4 0.129 87.5 96.5-106.6 20.2 7.2 12.9 11.3 18 18 A L E -R 52 0B 16 34,-0.2 2,-0.7 35,-0.1 34,-0.2 -0.924 59.5-147.7-114.6 135.0 7.2 16.4 12.9 19 19 A I E -R 51 0B 53 32,-3.0 32,-1.5 -2,-0.4 2,-0.5 -0.892 18.3-156.0 -98.2 117.2 5.3 19.4 11.6 20 20 A F E -R 50 0B 81 -2,-0.7 2,-0.3 30,-0.2 30,-0.2 -0.837 13.3-178.0 -97.7 129.1 7.3 22.6 12.4 21 21 A Q E > -R 49 0B 31 28,-2.8 28,-2.3 -2,-0.5 3,-1.3 -0.945 51.3 -13.5-126.2 147.2 5.4 25.9 12.6 22 22 A G E 3 S-R 48 0B 56 -2,-0.3 26,-0.3 26,-0.2 12,-0.1 -0.414 125.1 -20.9 68.4-136.6 6.8 29.4 13.2 23 23 A D T 3 S+ 0 0 64 24,-3.2 -1,-0.2 10,-0.2 25,-0.2 0.340 94.0 132.3 -91.9 6.2 10.3 29.6 14.5 24 24 A A < + 0 0 10 -3,-1.3 2,-0.3 25,-0.2 9,-0.2 -0.326 26.2 152.4 -63.1 136.9 10.6 26.0 15.8 25 25 A Q E -C 32 0A 80 7,-1.8 7,-3.1 9,-0.1 2,-0.4 -0.989 44.6 -99.5-160.6 159.0 13.8 24.1 14.8 26 26 A I E +C 31 0A 30 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.696 41.5 164.6 -87.1 132.1 16.1 21.3 15.9 27 27 A K E > -C 30 0A 60 3,-2.8 3,-1.0 -2,-0.4 -16,-0.1 -0.957 65.1 -7.3-149.4 126.8 19.4 22.3 17.6 28 28 A N T 3 S- 0 0 156 -2,-0.3 -17,-0.1 1,-0.2 3,-0.1 0.917 126.6 -55.3 54.5 50.1 21.8 20.1 19.6 29 29 A N T 3 S+ 0 0 91 -18,-0.2 -18,-2.5 1,-0.2 2,-0.3 0.702 122.2 92.4 58.6 23.4 19.4 17.1 19.7 30 30 A A E < S-C 27 0A 10 -3,-1.0 -3,-2.8 -20,-0.2 2,-0.6 -0.955 80.1-109.0-141.2 158.3 16.6 19.2 21.2 31 31 A V E -CD 26 228A 0 197,-2.6 197,-2.7 -2,-0.3 2,-0.9 -0.815 22.8-158.1 -93.6 119.5 13.7 21.2 19.8 32 32 A Q E -CD 25 227A 19 -7,-3.1 -7,-1.8 -2,-0.6 195,-0.2 -0.846 9.0-175.0 -95.8 102.0 14.1 24.9 20.2 33 33 A L + 0 0 0 193,-2.2 2,-0.3 -2,-0.9 -10,-0.2 0.880 67.8 48.2 -66.3 -38.7 10.6 26.2 20.0 34 34 A T S S- 0 0 1 192,-0.3 192,-0.2 -3,-0.1 -9,-0.1 -0.797 98.5 -92.4-107.7 149.6 11.6 29.9 20.1 35 35 A K - 0 0 58 -2,-0.3 8,-1.3 184,-0.1 2,-0.3 -0.161 39.4-173.1 -58.9 144.0 14.2 31.6 18.0 36 36 A T B -X 42 0C 14 6,-0.2 -1,-0.0 -4,-0.1 -4,-0.0 -0.931 21.8-113.7-134.4 156.8 17.8 32.0 19.2 37 37 A D > - 0 0 50 4,-2.6 3,-2.0 -2,-0.3 -1,-0.1 -0.119 46.8 -81.3 -81.4-175.0 20.8 33.9 17.8 38 38 A S T 3 S+ 0 0 135 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.796 131.5 49.4 -57.6 -31.7 24.0 32.4 16.4 39 39 A N T 3 S- 0 0 110 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.287 121.9-103.6 -93.2 9.7 25.4 32.1 19.9 40 40 A G S < S+ 0 0 41 -3,-2.0 -2,-0.1 1,-0.3 185,-0.1 0.525 73.1 140.7 84.3 6.0 22.3 30.3 21.2 41 41 A N - 0 0 71 1,-0.1 -4,-2.6 38,-0.0 -1,-0.3 -0.617 54.6-108.3 -86.0 142.6 20.8 33.2 23.2 42 42 A P B -X 36 0C 12 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.258 32.2-154.6 -65.4 152.5 17.0 33.8 23.2 43 43 A V - 0 0 42 -8,-1.3 181,-0.3 181,-0.2 3,-0.1 -0.870 17.7-104.0-127.3 160.7 15.5 36.7 21.2 44 44 A A S S+ 0 0 41 -2,-0.3 177,-0.2 1,-0.2 176,-0.2 -0.333 90.4 31.0 -80.3 165.2 12.3 38.7 21.6 45 45 A S S S+ 0 0 99 175,-2.3 2,-0.3 177,-0.2 175,-0.2 0.969 81.4 135.2 51.3 74.5 9.2 38.4 19.4 46 46 A T E - S 0 219B 4 173,-2.2 173,-2.2 -3,-0.1 2,-0.4 -0.991 29.6-176.5-151.9 140.0 9.2 34.7 18.4 47 47 A V E + S 0 218B 23 -2,-0.3 -24,-3.2 171,-0.2 2,-0.3 -0.995 10.5 167.5-136.9 141.0 6.7 32.0 18.3 48 48 A G E +RS 22 217B 0 169,-2.1 169,-1.8 -2,-0.4 2,-0.3 -0.990 5.8 177.2-155.2 146.7 7.2 28.3 17.4 49 49 A R E -RS 21 216B 1 -28,-2.3 -28,-2.8 -2,-0.3 2,-0.3 -0.970 10.6-158.9-146.7 159.0 5.3 25.0 17.6 50 50 A I E -RS 20 215B 0 165,-2.1 165,-2.0 -2,-0.3 2,-0.3 -0.982 7.9-172.7-137.9 149.3 5.7 21.4 16.6 51 51 A L E -RS 19 214B 2 -32,-1.5 -32,-3.0 -2,-0.3 2,-0.3 -0.991 31.3-111.2-140.1 145.6 3.0 18.7 16.1 52 52 A F E -R 18 0B 0 161,-2.3 161,-0.2 -2,-0.3 -34,-0.2 -0.603 28.7-133.3 -75.5 141.3 3.4 15.0 15.5 53 53 A S S S+ 0 0 27 -36,-3.0 2,-0.2 -2,-0.3 -1,-0.1 0.887 81.6 79.8 -64.7 -42.8 2.3 14.2 11.9 54 54 A A S S- 0 0 0 -37,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.460 84.0-121.6 -70.4 137.1 0.1 11.2 12.6 55 55 A Q - 0 0 31 -2,-0.2 2,-0.4 157,-0.1 157,-0.2 -0.538 20.3-132.8 -79.1 143.2 -3.4 12.1 13.8 56 56 A V E -Y 211 0D 3 155,-3.1 155,-2.4 -2,-0.2 2,-1.3 -0.824 8.4-134.7 -99.4 132.2 -4.6 10.7 17.2 57 57 A H E +Y 210 0D 10 -2,-0.4 153,-0.2 -56,-0.3 3,-0.1 -0.714 31.0 172.6 -87.4 95.3 -8.0 9.1 17.5 58 58 A L - 0 0 3 151,-1.8 9,-3.2 -2,-1.3 2,-0.3 0.840 62.8 -6.0 -73.4 -38.9 -9.2 10.8 20.7 59 59 A W E -E 66 0A 42 150,-1.4 2,-0.5 7,-0.2 -1,-0.2 -0.988 57.8-141.1-156.9 155.1 -12.8 9.5 20.7 60 60 A E E >> -E 65 0A 12 5,-2.4 4,-1.4 -2,-0.3 5,-1.1 -0.958 2.5-163.2-126.4 113.3 -15.1 7.5 18.5 61 61 A K T 45S+ 0 0 160 -2,-0.5 -1,-0.1 1,-0.2 5,-0.0 0.842 89.2 55.4 -61.0 -37.2 -18.7 8.4 18.2 62 62 A S T 45S+ 0 0 107 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.885 119.1 29.2 -66.6 -41.6 -19.8 5.1 16.7 63 63 A S T 45S- 0 0 30 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.509 100.9-127.1 -97.3 -7.1 -18.4 2.9 19.5 64 64 A S T <5 + 0 0 82 -4,-1.4 176,-0.4 1,-0.2 2,-0.3 0.779 59.9 145.9 65.5 27.6 -18.8 5.4 22.3 65 65 A R E < -E 60 0A 21 -5,-1.1 -5,-2.4 174,-0.1 2,-0.4 -0.666 33.3-163.0 -97.2 152.9 -15.1 5.0 23.2 66 66 A V E -EF 59 238A 18 172,-2.0 172,-2.0 -2,-0.3 -7,-0.2 -0.991 23.5-113.8-133.5 141.3 -12.8 7.6 24.5 67 67 A A E - F 0 237A 0 -9,-3.2 2,-0.5 -2,-0.4 170,-0.3 -0.462 12.0-147.9 -79.6 144.7 -9.0 7.4 24.6 68 68 A N E - F 0 236A 58 168,-2.5 168,-2.1 -2,-0.2 2,-0.3 -0.928 31.9-178.4-102.9 131.5 -6.9 7.2 27.7 69 69 A F E -GF 176 235A 7 107,-1.2 107,-2.4 -2,-0.5 2,-0.4 -0.941 22.0-162.9-135.9 159.9 -3.6 9.0 26.9 70 70 A Q E -GF 175 234A 82 164,-2.3 164,-2.0 -2,-0.3 2,-0.4 -0.997 3.3-170.9-141.1 133.6 -0.3 9.8 28.6 71 71 A S E -GF 174 233A 0 103,-2.9 103,-2.8 -2,-0.4 2,-0.4 -0.990 4.8-174.9-128.8 121.6 2.3 12.3 27.5 72 72 A Q E +GF 173 232A 47 160,-2.5 160,-2.8 -2,-0.4 2,-0.3 -0.965 18.4 147.4-117.8 131.9 5.7 12.5 29.2 73 73 A F E -GF 172 231A 2 99,-2.1 99,-3.3 -2,-0.4 2,-0.3 -0.979 30.4-146.9-156.3 166.1 8.2 15.2 28.4 74 74 A S E +GF 171 230A 9 156,-1.5 155,-2.4 -2,-0.3 156,-1.2 -0.995 19.3 170.1-139.2 143.9 11.0 17.3 29.7 75 75 A F E -GF 170 228A 3 95,-1.4 95,-2.7 -2,-0.3 2,-0.3 -0.955 16.4-150.7-147.0 164.9 12.0 20.9 28.9 76 76 A S E - F 0 227A 15 151,-1.8 151,-2.3 -2,-0.3 2,-0.4 -0.981 6.7-149.9-139.1 150.3 14.3 23.6 30.2 77 77 A L E - F 0 226A 6 88,-0.4 90,-3.7 91,-0.4 2,-0.4 -0.966 15.5-177.7-121.8 137.6 14.1 27.4 30.1 78 78 A K E + F 0 225A 35 147,-0.7 147,-2.7 -2,-0.4 4,-0.1 -0.999 6.6 164.9-138.7 139.7 17.1 29.7 29.9 79 79 A S - 0 0 11 -2,-0.4 5,-0.1 145,-0.2 145,-0.1 -0.959 39.4-140.8-157.5 136.1 17.5 33.4 29.9 80 80 A P S S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 144,-0.1 0.763 100.5 54.6 -63.1 -25.3 20.2 36.0 30.5 81 81 A L S S- 0 0 71 142,-0.3 -2,-0.2 1,-0.1 3,-0.0 0.348 85.2-133.6 -81.5-143.1 17.5 38.0 32.3 82 82 A S S S+ 0 0 95 -4,-0.1 2,-1.1 142,-0.0 -1,-0.1 0.305 93.6 72.4-149.2 -31.4 15.4 36.6 35.1 83 83 A N S S+ 0 0 107 49,-0.0 140,-0.0 2,-0.0 48,-0.0 -0.340 74.8 178.8 -87.8 50.7 12.0 37.7 34.0 84 84 A G - 0 0 1 -2,-1.1 2,-0.3 -5,-0.1 140,-0.2 -0.241 18.2-116.6 -57.5 143.4 12.0 35.1 31.2 85 85 A A - 0 0 0 135,-0.1 139,-0.3 47,-0.1 2,-0.1 -0.955 46.3 -14.4-144.7 161.6 8.8 35.0 29.1 86 86 A D - 0 0 5 -2,-0.3 45,-1.1 137,-0.2 46,-0.9 -0.961 68.2-122.8-110.0 -20.9 6.4 33.8 28.0 87 87 A G E -TU 130 218B 0 131,-0.9 131,-1.3 43,-0.2 2,-0.3 -0.749 11.8-100.0 142.2 171.0 6.1 30.0 28.5 88 88 A I E -TU 129 217B 2 41,-1.4 41,-2.7 -2,-0.2 2,-0.4 -0.916 28.8-166.2-127.0 151.3 5.7 26.6 26.9 89 89 A A E -TU 128 216B 0 127,-2.7 127,-2.3 -2,-0.3 2,-0.5 -0.999 19.8-142.9-144.3 141.6 2.6 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 -0.855 39.9-178.5 -93.4 133.1 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 -0.956 31.1-153.8-141.6 161.7 -1.5 21.1 23.5 92 92 A I E +TU 125 213B 6 33,-2.5 33,-2.0 -2,-0.3 121,-0.2 -0.999 33.7 146.7-129.2 129.9 -4.2 19.1 21.7 93 93 A A E - 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