==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 19-AUG-05 2ARB . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PTEROCARPUS ANGOLENSIS; . AUTHOR L.BUTS,A.GARCIA-PINO,A.IMBERTY,N.AMIOT,G.-J.BOONS,W.VERSEES, . 478 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18572.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 66.7 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 . 209 43.7 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 . 41 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 8.4 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 8 0 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,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -27.2 -7.3 2.4 18.1 2 3 A S E +AB 235 246A 44 244,-1.4 244,-1.9 233,-0.2 2,-0.3 -0.980 360.0 171.9-132.7 147.3 -3.8 2.7 19.7 3 4 A L E +AB 234 245A 15 231,-2.1 231,-2.3 -2,-0.3 2,-0.3 -0.988 2.1 171.3-150.5 138.5 -0.8 4.8 18.9 4 5 A S E +AB 233 244A 28 240,-2.5 240,-2.4 -2,-0.3 2,-0.3 -0.997 1.8 173.4-149.8 148.1 2.5 5.5 20.7 5 6 A F E -AB 232 243A 9 227,-2.3 227,-2.6 -2,-0.3 2,-0.4 -0.988 12.0-155.9-150.7 151.9 5.8 7.2 19.9 6 7 A G E -AB 231 242A 5 236,-2.0 236,-1.6 -2,-0.3 225,-0.3 -0.991 10.6-174.7-138.8 130.5 8.9 8.0 21.8 7 8 A F E +A 230 0A 18 223,-3.3 223,-2.3 -2,-0.4 3,-0.1 -0.887 5.1 176.1-118.5 92.3 11.6 10.7 21.2 8 9 A P S S- 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.819 81.7 -8.0 -64.8 -30.8 14.4 10.1 23.9 9 10 A T S S- 0 0 60 -3,-0.1 20,-0.2 221,-0.1 221,-0.1 -0.882 77.3-112.1-150.3 175.9 16.2 13.0 22.1 10 11 A F - 0 0 0 18,-2.4 18,-0.2 -2,-0.3 16,-0.1 -0.734 27.4-165.7-121.9 83.8 15.6 14.9 18.9 11 12 A P - 0 0 22 0, 0.0 14,-0.0 0, 0.0 -2,-0.0 -0.244 34.7-110.2 -62.5 158.1 18.2 14.3 16.1 12 13 A S S S+ 0 0 101 1,-0.2 2,-1.4 13,-0.0 13,-0.1 0.756 102.1 79.5 -65.4 -22.7 18.2 16.8 13.2 13 14 A D + 0 0 65 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.651 63.5 163.7 -91.2 89.9 16.8 14.4 10.7 14 15 A Q + 0 0 32 -2,-1.4 11,-0.0 1,-0.1 -4,-0.0 -0.845 19.9 170.4-106.3 140.9 13.1 14.4 11.5 15 16 A K S S+ 0 0 93 -2,-0.4 -1,-0.1 279,-0.1 280,-0.0 0.641 74.4 49.3-119.0 -25.7 10.4 13.1 9.2 16 17 A N S S+ 0 0 14 278,-0.1 36,-3.0 277,-0.1 2,-0.4 0.146 86.7 94.2-106.8 17.7 7.3 13.0 11.4 17 18 A L E -R 51 0B 17 34,-0.2 2,-0.6 35,-0.1 34,-0.2 -0.922 59.7-147.5-113.8 136.9 7.2 16.5 12.9 18 19 A I E -R 50 0B 53 32,-2.8 32,-1.6 -2,-0.4 2,-0.4 -0.908 18.9-156.0 -97.8 117.9 5.4 19.5 11.6 19 20 A F E -R 49 0B 77 -2,-0.6 2,-0.4 30,-0.2 30,-0.2 -0.831 12.5-175.4 -98.4 133.7 7.4 22.6 12.4 20 21 A Q E > -R 48 0B 28 28,-2.6 28,-2.1 -2,-0.4 3,-1.4 -0.962 50.7 -15.2-128.4 146.3 5.5 25.9 12.6 21 22 A G E 3 S-R 47 0B 56 -2,-0.4 26,-0.3 1,-0.2 12,-0.1 -0.387 125.6 -18.5 67.3-137.0 6.8 29.4 13.2 22 23 A D T 3 S+ 0 0 68 24,-3.3 -1,-0.2 10,-0.2 25,-0.2 0.385 94.1 131.8 -89.5 5.9 10.3 29.6 14.5 23 24 A A < + 0 0 10 -3,-1.4 2,-0.3 25,-0.2 9,-0.2 -0.294 26.3 153.1 -63.9 136.1 10.7 26.1 15.8 24 25 A Q E -C 31 0A 102 7,-2.2 7,-3.5 9,-0.1 2,-0.4 -0.997 44.1-101.7-158.2 160.7 13.8 24.1 14.9 25 26 A I E +C 30 0A 28 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.695 42.3 161.8 -84.3 134.5 16.1 21.3 16.0 26 27 A K E > -C 29 0A 50 3,-2.5 3,-1.2 -2,-0.4 -16,-0.1 -0.951 66.5 -4.0-153.3 130.6 19.5 22.3 17.5 27 28 A N T 3 S- 0 0 97 -2,-0.3 3,-0.1 1,-0.2 -17,-0.1 0.869 126.6 -59.1 54.2 40.7 21.8 20.2 19.6 28 29 A N T 3 S+ 0 0 86 1,-0.2 -18,-2.4 -18,-0.2 2,-0.3 0.720 120.5 91.9 62.2 26.5 19.4 17.3 19.6 29 30 A A E < S-C 26 0A 12 -3,-1.2 -3,-2.5 -20,-0.2 2,-0.6 -0.929 82.0-107.9-141.4 158.1 16.6 19.2 21.2 30 31 A V E -CD 25 227A 0 197,-2.6 197,-2.6 -2,-0.3 2,-0.9 -0.830 23.8-156.3 -91.9 124.1 13.8 21.2 19.8 31 32 A Q E -CD 24 226A 26 -7,-3.5 -7,-2.2 -2,-0.6 195,-0.2 -0.887 9.7-173.2 -98.2 105.6 14.2 25.0 20.2 32 33 A L + 0 0 0 193,-2.3 2,-0.3 -2,-0.9 184,-0.2 0.859 66.5 44.9 -69.9 -36.5 10.7 26.2 20.1 33 34 A T S S- 0 0 1 192,-0.3 192,-0.2 1,-0.1 -9,-0.1 -0.815 100.1 -86.3-110.7 151.9 11.5 29.9 20.1 34 35 A K - 0 0 66 -2,-0.3 8,-1.3 184,-0.1 2,-0.3 -0.094 38.4-168.9 -57.9 144.3 14.2 31.7 18.0 35 36 A T B -X 41 0C 26 6,-0.2 -1,-0.0 -4,-0.1 -4,-0.0 -0.948 20.4-116.8-130.5 153.2 17.8 32.0 19.2 36 37 A D > - 0 0 72 4,-2.8 3,-1.7 -2,-0.3 6,-0.0 -0.160 43.0 -84.7 -80.5-178.3 20.6 34.2 17.7 37 38 A S T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.877 133.3 49.2 -52.7 -42.4 23.9 33.0 16.1 38 39 A N T 3 S- 0 0 94 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.553 121.8-109.9 -75.9 -9.5 25.4 32.8 19.6 39 40 A G S < S+ 0 0 44 -3,-1.7 -2,-0.1 1,-0.3 185,-0.1 0.711 70.6 138.4 89.1 22.4 22.4 30.8 20.8 40 41 A N - 0 0 34 1,-0.1 -4,-2.8 183,-0.0 -1,-0.3 -0.743 58.8-100.7 -99.7 149.5 20.8 33.4 23.1 41 42 A P B -X 35 0C 14 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.335 37.3-155.8 -67.6 149.4 17.1 33.9 23.2 42 43 A V - 0 0 41 -8,-1.3 181,-0.3 181,-0.2 3,-0.1 -0.858 18.4-100.0-124.7 160.5 15.6 36.8 21.3 43 44 A A S S+ 0 0 47 -2,-0.3 177,-0.2 1,-0.2 176,-0.1 -0.250 90.2 27.8 -75.3 164.7 12.4 38.8 21.6 44 45 A S S S+ 0 0 104 175,-2.5 2,-0.3 177,-0.2 175,-0.2 0.946 80.7 136.0 50.8 73.1 9.2 38.5 19.6 45 46 A T E - S 0 218B 5 173,-2.0 173,-2.3 -3,-0.1 2,-0.4 -0.998 29.9-173.9-147.8 144.2 9.2 34.8 18.5 46 47 A V E + S 0 217B 24 -2,-0.3 -24,-3.3 171,-0.2 2,-0.3 -0.996 11.5 166.9-136.8 141.7 6.7 32.0 18.3 47 48 A G E +RS 21 216B 0 169,-2.3 169,-2.2 -2,-0.4 2,-0.3 -0.989 4.9 175.0-154.4 149.0 7.2 28.4 17.4 48 49 A R E -RS 20 215B 1 -28,-2.1 -28,-2.6 -2,-0.3 2,-0.3 -0.963 12.0-156.8-148.9 161.1 5.3 25.1 17.7 49 50 A I E -RS 19 214B 0 165,-2.0 165,-2.0 -2,-0.3 2,-0.4 -0.987 7.3-170.6-138.7 149.5 5.7 21.4 16.6 50 51 A L E -RS 18 213B 2 -32,-1.6 -32,-2.8 -2,-0.3 2,-0.3 -0.990 29.8-115.1-136.7 144.7 3.0 18.8 16.1 51 52 A F E -R 17 0B 4 161,-2.3 161,-0.3 -2,-0.4 -34,-0.2 -0.619 29.9-132.2 -75.6 144.7 3.4 15.0 15.5 52 53 A S S S+ 0 0 27 -36,-3.0 2,-0.2 -2,-0.3 -1,-0.1 0.888 80.5 79.3 -71.8 -37.6 2.2 14.3 12.0 53 54 A A S S- 0 0 0 -37,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.473 84.1-120.2 -72.9 141.3 -0.0 11.3 12.6 54 55 A Q - 0 0 31 -2,-0.2 2,-0.4 157,-0.1 157,-0.2 -0.525 20.2-131.8 -79.8 146.0 -3.4 12.1 13.9 55 56 A V E -Y 210 0D 4 155,-3.0 155,-2.4 -2,-0.2 2,-1.3 -0.846 8.7-135.0-101.4 132.4 -4.6 10.7 17.2 56 57 A H E +Y 209 0D 20 -2,-0.4 153,-0.2 153,-0.2 3,-0.1 -0.719 31.3 172.7 -88.7 95.7 -8.0 9.1 17.5 57 58 A L - 0 0 3 151,-1.7 9,-3.3 -2,-1.3 2,-0.3 0.815 62.6 -4.0 -74.6 -37.2 -9.1 10.8 20.8 58 59 A W E -E 65 0A 41 150,-1.4 2,-0.5 7,-0.2 7,-0.2 -0.988 57.8-145.4-155.7 158.5 -12.7 9.5 20.8 59 60 A E E >> -E 64 0A 11 5,-2.4 5,-1.6 -2,-0.3 4,-0.9 -0.959 2.3-165.7-134.1 113.2 -15.0 7.5 18.6 60 61 A K T >45S+ 0 0 106 -2,-0.5 3,-1.1 1,-0.2 -1,-0.2 0.946 86.4 60.7 -62.0 -51.3 -18.7 8.3 18.5 61 62 A S T 345S+ 0 0 111 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.777 120.1 27.1 -49.9 -31.3 -19.8 5.1 16.7 62 63 A S T 345S- 0 0 47 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.2 0.418 101.1-125.0-113.1 -0.0 -18.5 3.0 19.7 63 64 A S T <<5 + 0 0 83 -3,-1.1 176,-0.4 -4,-0.9 2,-0.3 0.826 61.3 146.5 59.6 32.6 -18.8 5.5 22.5 64 65 A R E < -E 59 0A 48 -5,-1.6 -5,-2.4 174,-0.1 2,-0.4 -0.728 31.4-166.1-100.3 153.0 -15.1 5.0 23.3 65 66 A V E -EF 58 237A 19 172,-2.0 172,-1.8 -2,-0.3 -7,-0.2 -0.998 25.2-108.7-137.0 140.9 -12.7 7.7 24.6 66 67 A A E - F 0 236A 0 -9,-3.3 2,-0.5 -2,-0.4 170,-0.3 -0.383 11.7-148.5 -74.8 144.0 -8.9 7.5 24.7 67 68 A N E + F 0 235A 59 168,-2.4 168,-2.2 109,-0.1 2,-0.3 -0.912 34.3 178.9 -97.2 129.8 -6.8 7.1 27.8 68 69 A F E -GF 175 234A 7 107,-1.4 107,-2.4 -2,-0.5 2,-0.4 -0.958 21.8-165.9-138.6 159.5 -3.6 9.0 26.9 69 70 A Q E -GF 174 233A 81 164,-2.2 164,-2.0 -2,-0.3 2,-0.5 -0.993 1.9-170.4-142.5 134.0 -0.3 9.8 28.6 70 71 A S E -GF 173 232A 0 103,-3.0 103,-2.8 -2,-0.4 2,-0.4 -0.991 5.0-174.9-128.2 123.5 2.3 12.4 27.5 71 72 A Q E +GF 172 231A 81 160,-2.7 160,-2.8 -2,-0.5 2,-0.3 -0.970 17.4 150.1-119.1 133.3 5.7 12.5 29.2 72 73 A F E -GF 171 230A 1 99,-2.3 99,-3.0 -2,-0.4 2,-0.3 -0.987 30.7-144.9-156.1 165.1 8.2 15.2 28.4 73 74 A S E +GF 170 229A 15 156,-1.6 155,-2.5 -2,-0.3 156,-1.2 -0.983 21.7 167.7-133.8 142.5 11.1 17.3 29.7 74 75 A F E -GF 169 227A 3 95,-1.5 95,-2.6 -2,-0.3 2,-0.3 -0.970 16.3-154.5-148.7 162.8 12.0 20.8 28.9 75 76 A S E - F 0 226A 25 151,-2.0 151,-2.5 -2,-0.3 2,-0.4 -0.974 6.6-149.7-138.6 155.9 14.3 23.6 30.2 76 77 A L E - F 0 225A 6 88,-0.4 90,-3.5 91,-0.4 2,-0.4 -0.972 14.2-175.4-125.7 138.8 14.2 27.4 30.0 77 78 A K E + F 0 224A 35 147,-0.7 147,-2.7 -2,-0.4 3,-0.1 -0.998 9.4 159.5-137.9 139.1 17.2 29.7 29.9 78 79 A S - 0 0 14 -2,-0.4 5,-0.1 145,-0.2 145,-0.1 -0.968 43.2-138.8-161.5 142.5 17.5 33.5 30.0 79 80 A P S S+ 0 0 102 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.723 90.3 79.5 -68.7 -23.5 20.0 36.3 30.8 80 81 A L S S- 0 0 54 142,-0.3 3,-0.5 1,-0.1 -2,-0.1 -0.515 82.2-132.2 -87.4 154.8 17.0 38.1 32.4 81 82 A S S S+ 0 0 118 1,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.631 105.9 46.4 -79.3 -13.5 15.6 37.4 35.9 82 83 A N S S- 0 0 84 140,-0.1 -1,-0.3 2,-0.0 140,-0.1 -0.576 78.1-178.3-129.5 70.2 12.1 37.4 34.3 83 84 A G - 0 0 0 -3,-0.5 2,-0.3 -2,-0.2 140,-0.2 -0.283 25.2-105.8 -66.1 154.6 12.2 35.3 31.2 84 85 A A - 0 0 0 135,-0.1 139,-0.3 2,-0.1 2,-0.1 -0.953 49.8 -13.7-147.5 163.8 9.0 34.9 29.2 85 86 A D - 0 0 6 -2,-0.3 45,-1.2 137,-0.2 46,-0.8 -0.958 66.6-123.7-109.0 -21.9 6.5 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 -0.774 11.9 -99.4 143.3 172.9 6.2 30.0 28.6 87 88 A I E -TU 128 216B 1 41,-1.5 41,-2.5 -2,-0.2 2,-0.4 -0.932 28.1-164.6-129.8 149.2 5.7 26.6 26.9 88 89 A A E -TU 127 215B 0 127,-2.8 127,-2.4 -2,-0.3 2,-0.5 -0.998 19.6-142.6-140.4 140.8 2.6 24.5 26.5 89 90 A F E -TU 126 214B 2 37,-2.2 37,-2.7 -2,-0.4 2,-0.3 -0.838 40.1-176.9 -89.0 133.6 1.7 21.0 25.7 90 91 A F E -TU 125 213B 1 123,-2.6 123,-2.3 -2,-0.5 2,-0.4 -0.964 30.8-154.8-140.1 159.7 -1.5 21.2 23.6 91 92 A I E +TU 124 212B 5 33,-2.5 33,-2.0 -2,-0.3 121,-0.2 -0.999 33.6 153.4-127.8 127.7 -4.1 19.0 21.8 92 93 A A E - 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