==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 22-AUG-05 2ARX . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PTEROCARPUS ANGOLENSIS; . AUTHOR L.BUTS,A.GARCIA-PINO,A.IMBERTY,N.AMIOT,G.-J.BOONS,J.LAH,W.VE . 478 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 68.0 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 44.1 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 . 48 10.0 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 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 2 A D 0 0 39 0, 0.0 235,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -23.3 -7.4 2.4 18.3 2 3 A S E +AB 235 246A 44 244,-1.3 244,-1.9 233,-0.2 2,-0.3 -0.990 360.0 171.1-138.3 147.1 -3.9 2.8 19.8 3 4 A L E +AB 234 245A 14 231,-2.2 231,-2.1 -2,-0.3 2,-0.3 -0.975 2.7 165.9-154.5 136.3 -0.9 4.8 19.1 4 5 A S E +AB 233 244A 35 240,-2.4 240,-2.1 -2,-0.3 2,-0.3 -0.992 2.2 170.4-150.7 154.7 2.4 5.6 20.8 5 6 A F E -AB 232 243A 8 227,-2.2 227,-2.8 -2,-0.3 2,-0.4 -0.980 13.6-152.3-158.8 156.9 5.8 7.1 20.0 6 7 A G E -AB 231 242A 8 236,-1.9 236,-1.2 -2,-0.3 225,-0.3 -0.979 10.6-171.6-145.2 131.4 8.9 8.2 21.8 7 8 A F E +A 230 0A 18 223,-3.6 223,-2.2 -2,-0.4 3,-0.1 -0.899 5.8 176.7-116.7 95.4 11.6 10.7 21.3 8 9 A P S S- 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.872 81.6 -3.8 -65.6 -32.2 14.4 10.2 23.9 9 10 A T S S- 0 0 59 -3,-0.1 20,-0.2 221,-0.1 221,-0.1 -0.873 77.5-113.3-145.3 174.9 16.2 13.0 22.0 10 11 A F - 0 0 0 18,-2.4 18,-0.2 -2,-0.3 19,-0.2 -0.713 30.0-167.1-121.9 81.3 15.6 15.0 18.9 11 12 A P - 0 0 17 0, 0.0 3,-0.0 0, 0.0 14,-0.0 -0.187 33.4-110.7 -59.7 158.7 18.1 14.2 16.1 12 13 A S S S+ 0 0 104 1,-0.2 2,-1.8 13,-0.0 13,-0.1 0.772 101.8 77.6 -67.0 -28.0 18.2 16.7 13.1 13 14 A D + 0 0 51 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.496 65.7 166.6 -85.6 74.6 16.7 14.3 10.5 14 15 A Q + 0 0 33 -2,-1.8 -2,-0.0 1,-0.1 -4,-0.0 -0.659 17.9 168.0 -90.4 143.2 13.1 14.4 11.5 15 16 A K S S+ 0 0 107 -2,-0.3 -1,-0.1 279,-0.1 280,-0.0 0.624 72.5 47.9-122.8 -27.5 10.3 13.1 9.3 16 17 A N S S+ 0 0 12 278,-0.1 36,-3.0 277,-0.1 2,-0.4 0.136 87.3 96.8-107.0 19.6 7.1 13.0 11.4 17 18 A L E -R 51 0B 16 34,-0.2 2,-0.6 35,-0.1 34,-0.2 -0.911 59.5-147.9-112.1 136.2 7.1 16.5 13.0 18 19 A I E -R 50 0B 53 32,-3.0 32,-1.7 -2,-0.4 2,-0.5 -0.907 18.8-156.8 -99.1 119.5 5.2 19.5 11.7 19 20 A F E -R 49 0B 81 -2,-0.6 2,-0.3 30,-0.2 30,-0.2 -0.871 12.9-178.1-100.8 130.3 7.2 22.6 12.5 20 21 A Q E > -R 48 0B 30 28,-2.7 28,-2.2 -2,-0.5 3,-1.3 -0.954 51.6 -12.5-127.1 147.0 5.4 25.9 12.7 21 22 A G E 3 S-R 47 0B 56 -2,-0.3 26,-0.3 26,-0.2 12,-0.1 -0.419 125.2 -21.3 68.8-135.8 6.8 29.4 13.3 22 23 A D T 3 S+ 0 0 45 24,-3.5 -1,-0.2 10,-0.2 25,-0.2 0.410 94.0 131.5 -92.0 2.7 10.4 29.5 14.6 23 24 A A < + 0 0 9 -3,-1.3 2,-0.3 25,-0.2 9,-0.2 -0.305 26.7 151.4 -61.0 132.2 10.6 26.0 15.9 24 25 A Q E -C 31 0A 88 7,-1.7 7,-3.1 9,-0.1 2,-0.4 -0.987 45.4 -98.7-156.5 161.5 13.7 24.0 14.9 25 26 A I E +C 30 0A 28 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.683 41.9 164.0 -86.7 134.7 16.0 21.3 15.9 26 27 A K E > -C 29 0A 61 3,-2.8 3,-0.8 -2,-0.4 -16,-0.1 -0.932 65.2 -6.4-152.7 124.8 19.4 22.2 17.5 27 28 A N T 3 S- 0 0 154 -2,-0.3 -17,-0.1 1,-0.2 3,-0.1 0.938 126.1 -56.2 55.7 52.7 21.8 20.1 19.5 28 29 A N T 3 S+ 0 0 99 -18,-0.2 -18,-2.4 1,-0.2 2,-0.3 0.707 122.6 91.0 53.0 26.6 19.4 17.1 19.6 29 30 A A E < S-C 26 0A 10 -3,-0.8 -3,-2.8 -20,-0.2 2,-0.6 -0.938 81.0-109.2-142.0 161.0 16.7 19.1 21.2 30 31 A V E -CD 25 227A 0 197,-2.7 197,-2.7 -2,-0.3 2,-1.0 -0.859 22.0-157.5 -97.7 120.5 13.8 21.2 19.8 31 32 A Q E -CD 24 226A 23 -7,-3.1 -7,-1.7 -2,-0.6 195,-0.2 -0.835 9.0-174.2 -96.7 98.8 14.2 24.9 20.2 32 33 A L + 0 0 0 193,-2.1 2,-0.3 -2,-1.0 -10,-0.2 0.861 67.9 47.0 -62.7 -38.2 10.6 26.2 20.1 33 34 A T S S- 0 0 2 192,-0.3 192,-0.2 -3,-0.1 -9,-0.1 -0.787 98.4 -91.5-108.4 152.6 11.6 29.9 20.1 34 35 A K - 0 0 97 -2,-0.3 8,-1.3 8,-0.1 2,-0.3 -0.164 37.6-169.5 -60.8 148.7 14.2 31.6 18.0 35 36 A T B -X 41 0C 14 6,-0.2 4,-0.0 -4,-0.1 -4,-0.0 -0.993 21.6-114.1-139.1 143.9 17.8 32.0 19.2 36 37 A D > - 0 0 55 4,-2.8 3,-2.0 -2,-0.3 6,-0.0 -0.016 47.7 -81.0 -68.5-179.1 20.7 34.1 17.8 37 38 A S T 3 S+ 0 0 134 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.840 129.9 48.5 -51.7 -42.9 23.9 32.7 16.3 38 39 A N T 3 S- 0 0 122 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.224 124.5 -97.9 -87.6 15.6 25.6 32.2 19.7 39 40 A G S < S+ 0 0 44 -3,-2.0 -2,-0.1 1,-0.2 185,-0.1 0.721 75.2 139.9 80.4 23.3 22.5 30.4 21.1 40 41 A N - 0 0 61 1,-0.1 -4,-2.8 183,-0.0 -1,-0.2 -0.780 54.5-104.9-102.5 146.2 20.9 33.2 23.1 41 42 A P B -X 35 0C 13 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.293 34.0-158.4 -65.5 147.0 17.1 33.9 23.3 42 43 A V - 0 0 38 -8,-1.3 181,-0.3 181,-0.2 3,-0.2 -0.867 18.0-104.6-125.8 160.2 15.6 36.7 21.3 43 44 A A S S+ 0 0 41 -2,-0.3 177,-0.2 1,-0.2 176,-0.2 -0.244 89.1 30.7 -78.7 169.4 12.3 38.7 21.7 44 45 A S S S+ 0 0 101 175,-2.8 2,-0.3 177,-0.2 175,-0.2 0.923 82.2 136.0 47.2 66.8 9.2 38.4 19.6 45 46 A T E - S 0 218B 3 173,-2.0 173,-2.1 -3,-0.2 2,-0.3 -0.998 29.2-177.3-143.6 144.7 9.2 34.8 18.6 46 47 A V E + S 0 217B 24 -2,-0.3 -24,-3.5 171,-0.2 2,-0.3 -0.992 9.0 164.7-140.3 144.9 6.7 31.9 18.4 47 48 A G E +RS 21 216B 0 169,-2.0 169,-1.9 -2,-0.3 2,-0.3 -0.979 6.6 178.8-160.1 148.3 7.1 28.3 17.5 48 49 A R E -RS 20 215B 1 -28,-2.2 -28,-2.7 -2,-0.3 2,-0.3 -0.971 10.3-156.8-148.0 158.5 5.2 25.0 17.7 49 50 A I E -RS 19 214B 0 165,-2.1 165,-2.1 -2,-0.3 2,-0.3 -0.985 7.8-172.4-137.4 147.4 5.6 21.4 16.8 50 51 A L E -RS 18 213B 2 -32,-1.7 -32,-3.0 -2,-0.3 2,-0.2 -0.981 30.9-112.2-137.0 146.2 2.9 18.7 16.2 51 52 A F E -R 17 0B 3 161,-2.3 161,-0.2 -2,-0.3 -34,-0.2 -0.610 29.0-131.3 -76.5 143.5 3.3 15.0 15.6 52 53 A S S S+ 0 0 27 -36,-3.0 2,-0.2 -2,-0.2 -1,-0.1 0.860 82.6 79.7 -67.3 -38.9 2.2 14.2 12.0 53 54 A A S S- 0 0 1 -37,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.494 83.5-122.0 -72.5 139.0 -0.1 11.2 12.7 54 55 A Q - 0 0 31 -2,-0.2 2,-0.4 157,-0.1 157,-0.2 -0.571 19.8-132.7 -82.3 144.2 -3.6 12.2 14.0 55 56 A V E -Y 210 0D 4 155,-3.1 155,-2.6 -2,-0.2 2,-1.3 -0.830 7.5-136.0-100.0 132.5 -4.7 10.8 17.3 56 57 A H E +Y 209 0D 21 -2,-0.4 153,-0.2 153,-0.2 3,-0.1 -0.709 29.3 174.1 -89.2 91.6 -8.2 9.2 17.7 57 58 A L - 0 0 4 151,-1.7 9,-3.3 -2,-1.3 2,-0.3 0.832 62.8 -6.9 -67.8 -39.5 -9.3 10.9 21.0 58 59 A W E -E 65 0A 38 150,-1.2 2,-0.4 7,-0.3 7,-0.2 -0.988 57.3-142.7-157.2 157.8 -12.8 9.5 21.0 59 60 A E E >> -E 64 0A 13 5,-2.7 5,-1.3 -2,-0.3 4,-0.8 -0.981 1.3-162.7-130.5 120.0 -15.3 7.6 18.8 60 61 A K T 45S+ 0 0 161 -2,-0.4 3,-0.2 3,-0.2 -1,-0.1 0.901 88.6 55.8 -67.0 -43.6 -19.0 8.4 18.6 61 62 A S T 45S+ 0 0 107 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.916 119.1 31.2 -57.3 -47.9 -20.1 5.1 17.1 62 63 A S T 45S- 0 0 25 2,-0.1 -1,-0.2 176,-0.0 -2,-0.2 0.512 102.4-130.2 -89.1 -6.3 -18.5 2.9 19.8 63 64 A S T <5 + 0 0 83 -4,-0.8 176,-0.4 1,-0.2 2,-0.3 0.824 59.1 146.1 60.2 31.2 -19.1 5.6 22.5 64 65 A R E < -E 59 0A 22 -5,-1.3 -5,-2.7 174,-0.1 2,-0.4 -0.695 34.6-162.3-100.5 154.3 -15.4 5.1 23.4 65 66 A V E -EF 58 237A 16 172,-2.0 172,-1.9 -2,-0.3 -7,-0.3 -0.986 19.7-121.5-133.9 143.2 -13.0 7.7 24.7 66 67 A A E - F 0 236A 0 -9,-3.3 2,-0.3 -2,-0.4 170,-0.2 -0.519 10.1-146.3 -89.1 151.6 -9.2 7.4 24.8 67 68 A N E - F 0 235A 52 168,-1.9 168,-1.5 -2,-0.2 2,-0.3 -0.714 25.8-172.7-102.1 158.8 -6.9 7.6 27.7 68 69 A F E -GF 175 234A 8 107,-1.4 107,-2.4 -2,-0.3 2,-0.4 -0.996 19.8-160.7-154.9 158.1 -3.5 9.2 27.1 69 70 A Q E -GF 174 233A 79 164,-2.2 164,-1.6 -2,-0.3 2,-0.5 -0.979 5.7-172.9-142.6 124.6 -0.2 9.9 28.7 70 71 A S E -GF 173 232A 0 103,-2.7 103,-2.9 -2,-0.4 2,-0.5 -0.983 5.1-176.0-122.3 120.5 2.4 12.4 27.6 71 72 A Q E +GF 172 231A 100 160,-2.4 160,-2.8 -2,-0.5 2,-0.3 -0.969 18.8 146.1-118.0 128.9 5.7 12.5 29.3 72 73 A F E -GF 171 230A 3 99,-2.2 99,-3.5 -2,-0.5 2,-0.4 -0.981 31.9-145.9-156.4 164.7 8.3 15.1 28.4 73 74 A S E +GF 170 229A 10 156,-1.6 155,-2.7 -2,-0.3 156,-1.1 -0.998 19.4 170.3-139.2 140.2 11.1 17.3 29.8 74 75 A F E -GF 169 227A 3 95,-1.4 95,-2.9 -2,-0.4 2,-0.3 -0.928 16.5-150.3-142.1 166.2 12.1 20.9 28.9 75 76 A S E - F 0 226A 16 151,-1.8 151,-2.4 -2,-0.3 2,-0.4 -0.989 6.4-150.2-141.0 146.7 14.4 23.5 30.2 76 77 A L E - F 0 225A 6 88,-0.5 90,-3.3 91,-0.4 2,-0.4 -0.952 15.9-178.1-119.0 138.3 14.2 27.3 30.1 77 78 A K E + F 0 224A 35 147,-0.9 147,-3.0 -2,-0.4 3,-0.1 -0.997 7.1 161.6-139.2 141.8 17.2 29.6 30.0 78 79 A S - 0 0 11 -2,-0.4 5,-0.1 145,-0.2 145,-0.1 -0.947 40.8-138.3-162.6 138.5 17.6 33.4 29.9 79 80 A P S S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 144,-0.1 0.874 96.0 60.2 -61.2 -37.0 20.2 36.1 30.6 80 81 A L S S- 0 0 66 142,-0.2 -2,-0.2 -3,-0.1 3,-0.2 0.041 84.2-130.5 -76.8-170.8 17.5 38.1 32.4 81 82 A S S S+ 0 0 106 1,-0.1 2,-0.1 84,-0.0 -1,-0.1 0.311 98.8 66.3-124.9 -1.2 15.6 37.0 35.4 82 83 A N S S+ 0 0 107 140,-0.1 -1,-0.1 2,-0.0 140,-0.1 -0.486 74.3 176.2-116.8 55.0 12.1 37.8 34.0 83 84 A G - 0 0 1 -3,-0.2 2,-0.3 138,-0.1 140,-0.2 -0.351 21.0-116.0 -64.6 143.0 12.1 35.2 31.3 84 85 A A - 0 0 0 135,-0.1 139,-0.3 2,-0.1 2,-0.1 -0.936 45.8 -13.9-143.1 163.6 9.0 34.9 29.2 85 86 A D - 0 0 5 -2,-0.3 45,-1.3 137,-0.2 46,-0.8 -0.956 67.2-123.7-110.3 -20.5 6.6 33.7 28.1 86 87 A G E -TU 129 217B 0 131,-0.9 131,-1.4 43,-0.2 2,-0.3 -0.723 12.0 -99.1 141.0 169.3 6.3 30.0 28.6 87 88 A I E -TU 128 216B 1 41,-1.2 41,-2.1 -2,-0.2 2,-0.4 -0.919 30.3-166.6-124.5 149.1 5.9 26.6 27.0 88 89 A A E -TU 127 215B 0 127,-2.9 127,-2.3 -2,-0.3 2,-0.5 -0.998 20.5-142.0-143.3 141.9 2.7 24.5 26.6 89 90 A F E -TU 126 214B 3 37,-2.2 37,-2.7 -2,-0.4 2,-0.3 -0.835 39.6-179.1 -92.4 131.6 1.7 21.0 25.7 90 91 A F E -TU 125 213B 1 123,-2.4 123,-2.0 -2,-0.5 2,-0.4 -0.947 30.3-154.1-139.6 162.8 -1.5 21.1 23.7 91 92 A I E +TU 124 212B 6 33,-2.6 33,-2.0 -2,-0.3 121,-0.2 -0.999 33.6 145.8-130.7 129.1 -4.2 19.1 21.9 92 93 A A E - 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