==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 19-AUG-05 2AR6 . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PTEROCARPUS ANGOLENSIS; . AUTHOR L.BUTS,A.GARCIA-PINO,A.IMBERTY,N.AMIOT,G.J.BOONS,S.BEECKMANS . 478 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18654.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 67.2 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 . 210 43.9 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 . 44 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.2 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 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 2 A D 0 0 37 0, 0.0 235,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -28.8 -7.2 2.4 18.0 2 3 A S E +AB 235 246A 43 244,-1.4 244,-1.9 233,-0.2 2,-0.3 -0.969 360.0 172.7-129.7 146.3 -3.8 2.7 19.6 3 4 A L E +AB 234 245A 11 231,-2.2 231,-2.4 -2,-0.4 2,-0.3 -0.984 1.7 170.1-150.9 137.3 -0.8 4.8 18.8 4 5 A S E +AB 233 244A 31 240,-2.5 240,-2.4 -2,-0.3 2,-0.3 -0.995 1.3 170.9-148.4 149.4 2.5 5.4 20.6 5 6 A F E -AB 232 243A 9 227,-2.3 227,-2.7 -2,-0.3 2,-0.4 -0.985 13.1-155.3-155.0 150.7 5.8 7.1 19.7 6 7 A G E -AB 231 242A 8 236,-2.1 236,-1.4 -2,-0.3 225,-0.3 -0.988 10.6-175.0-139.4 129.7 9.0 8.1 21.6 7 8 A F E +A 230 0A 20 223,-3.4 223,-2.4 -2,-0.4 3,-0.1 -0.894 5.4 175.5-117.9 93.8 11.6 10.7 21.0 8 9 A P S S- 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.804 81.5 -6.7 -68.3 -26.3 14.4 10.2 23.6 9 10 A T S S- 0 0 58 -3,-0.1 20,-0.2 221,-0.1 221,-0.1 -0.885 77.0-113.3-151.3 175.5 16.2 13.0 21.8 10 11 A F - 0 0 0 18,-2.3 18,-0.2 -2,-0.3 19,-0.1 -0.742 28.1-164.8-124.0 84.6 15.6 15.0 18.6 11 12 A P - 0 0 24 0, 0.0 14,-0.0 0, 0.0 -2,-0.0 -0.265 34.3-110.5 -62.9 157.1 18.2 14.3 15.8 12 13 A S S S+ 0 0 95 1,-0.2 2,-1.8 13,-0.0 13,-0.1 0.766 103.1 81.8 -59.6 -28.8 18.3 16.7 12.9 13 14 A D + 0 0 57 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.500 63.9 162.5 -82.3 73.4 16.9 14.1 10.5 14 15 A Q + 0 0 34 -2,-1.8 -2,-0.0 1,-0.1 11,-0.0 -0.733 19.2 164.9 -98.0 141.9 13.2 14.4 11.3 15 16 A K S S+ 0 0 96 -2,-0.3 -1,-0.1 279,-0.1 280,-0.0 0.630 73.1 49.3-122.7 -27.3 10.4 13.0 9.0 16 17 A N S S+ 0 0 13 278,-0.1 36,-3.0 277,-0.1 2,-0.4 0.136 86.9 95.4-105.8 19.6 7.2 12.9 11.2 17 18 A L E -R 51 0B 16 34,-0.2 2,-0.6 35,-0.1 34,-0.2 -0.921 60.0-147.8-114.0 135.7 7.2 16.4 12.7 18 19 A I E -R 50 0B 54 32,-3.0 32,-1.6 -2,-0.4 2,-0.4 -0.909 19.0-156.5 -98.7 117.1 5.3 19.4 11.4 19 20 A F E -R 49 0B 77 -2,-0.6 2,-0.4 30,-0.2 30,-0.2 -0.824 12.7-177.6 -97.6 132.7 7.3 22.6 12.1 20 21 A Q E > -R 48 0B 30 28,-2.7 28,-2.2 -2,-0.4 3,-1.3 -0.971 51.5 -12.8-129.8 145.9 5.5 25.9 12.3 21 22 A G E 3 S-R 47 0B 57 -2,-0.4 26,-0.3 26,-0.2 12,-0.1 -0.428 125.2 -21.0 69.6-139.4 6.8 29.3 12.9 22 23 A D T 3 S+ 0 0 50 24,-3.2 -1,-0.2 10,-0.2 25,-0.2 0.367 94.9 130.7 -88.8 4.7 10.4 29.5 14.2 23 24 A A < + 0 0 9 -3,-1.3 2,-0.3 23,-0.2 9,-0.2 -0.336 26.8 148.7 -64.2 136.1 10.7 26.0 15.6 24 25 A Q E -C 31 0A 105 7,-1.9 7,-3.4 9,-0.1 2,-0.4 -0.986 46.3 -96.0-160.1 164.6 13.7 23.9 14.5 25 26 A I E +C 30 0A 22 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.702 41.8 164.0 -88.4 136.0 16.1 21.2 15.6 26 27 A K E > -C 29 0A 46 3,-2.7 3,-1.0 -2,-0.4 -16,-0.1 -0.941 66.1 -7.6-153.7 127.1 19.4 22.2 17.2 27 28 A N T 3 S- 0 0 149 -2,-0.3 3,-0.1 1,-0.2 -17,-0.1 0.908 126.7 -55.2 52.0 50.1 21.8 20.1 19.2 28 29 A N T 3 S+ 0 0 93 -18,-0.2 -18,-2.3 1,-0.2 2,-0.3 0.695 122.2 89.7 58.2 25.9 19.4 17.1 19.4 29 30 A A E < S-C 26 0A 10 -3,-1.0 -3,-2.7 -20,-0.2 2,-0.6 -0.929 80.9-109.2-141.8 161.4 16.6 19.2 20.9 30 31 A V E -CD 25 227A 0 197,-2.6 197,-2.6 -2,-0.3 2,-0.9 -0.865 22.3-156.3 -97.0 124.3 13.8 21.2 19.5 31 32 A Q E -CD 24 226A 24 -7,-3.4 -7,-1.9 -2,-0.6 195,-0.2 -0.891 9.1-173.1 -98.0 104.8 14.2 25.0 19.9 32 33 A L + 0 0 0 193,-2.4 2,-0.3 -2,-0.9 -10,-0.2 0.860 67.6 47.0 -68.8 -35.4 10.6 26.2 19.7 33 34 A T S S- 0 0 1 192,-0.4 192,-0.2 -3,-0.1 -9,-0.1 -0.802 98.4 -90.5-110.7 151.3 11.6 29.9 19.7 34 35 A K - 0 0 75 -2,-0.3 8,-1.3 184,-0.1 2,-0.3 -0.145 39.2-173.6 -59.2 146.0 14.2 31.6 17.6 35 36 A T B -X 41 0C 29 6,-0.2 2,-0.0 -4,-0.1 -4,-0.0 -0.935 21.2-116.5-135.3 157.7 17.8 32.0 18.8 36 37 A D > - 0 0 59 4,-2.5 3,-2.0 -2,-0.3 6,-0.0 -0.156 46.9 -78.4 -85.1-173.1 20.7 34.0 17.3 37 38 A S T 3 S+ 0 0 122 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.781 133.0 50.2 -56.4 -31.5 24.0 32.6 16.0 38 39 A N T 3 S- 0 0 125 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.435 122.2-106.5 -88.3 -0.3 25.4 32.3 19.5 39 40 A G S < S+ 0 0 39 -3,-2.0 -2,-0.1 1,-0.3 185,-0.1 0.736 71.8 144.7 82.9 23.1 22.3 30.4 20.6 40 41 A N - 0 0 76 1,-0.1 -4,-2.5 183,-0.0 -1,-0.3 -0.725 53.4-106.2 -95.2 144.7 20.8 33.2 22.6 41 42 A P B -X 35 0C 10 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.324 34.2-159.3 -68.1 151.8 17.1 33.8 22.7 42 43 A V - 0 0 40 -8,-1.3 181,-0.3 181,-0.2 3,-0.1 -0.864 19.3-101.8-127.5 162.5 15.6 36.8 20.8 43 44 A A S S+ 0 0 39 -2,-0.3 177,-0.2 1,-0.2 176,-0.2 -0.353 88.9 31.2 -83.6 164.6 12.3 38.7 21.2 44 45 A S S S+ 0 0 97 175,-2.4 2,-0.3 177,-0.3 175,-0.2 0.973 80.7 133.2 55.1 71.3 9.2 38.4 19.1 45 46 A T E - S 0 218B 5 173,-1.9 173,-2.2 -3,-0.1 2,-0.3 -0.996 31.6-173.6-150.1 144.1 9.2 34.7 18.1 46 47 A V E + S 0 217B 23 -2,-0.3 -24,-3.2 171,-0.2 2,-0.3 -0.992 10.9 169.7-136.9 142.0 6.6 31.9 18.0 47 48 A G E +RS 21 216B 0 169,-2.0 169,-1.9 -2,-0.3 2,-0.3 -0.988 4.3 176.2-153.9 146.8 7.3 28.3 17.1 48 49 A R E -RS 20 215B 1 -28,-2.2 -28,-2.7 -2,-0.3 2,-0.3 -0.974 11.5-158.5-147.4 157.0 5.3 25.0 17.3 49 50 A I E -RS 19 214B 0 165,-2.1 165,-1.9 -2,-0.3 2,-0.3 -0.984 7.9-171.5-136.4 148.0 5.7 21.3 16.4 50 51 A L E -RS 18 213B 1 -32,-1.6 -32,-3.0 -2,-0.3 2,-0.3 -0.980 30.4-113.0-135.4 147.2 3.0 18.7 15.9 51 52 A F E -R 17 0B 3 161,-2.3 161,-0.3 -2,-0.3 -34,-0.2 -0.651 28.5-132.8 -78.6 140.9 3.4 15.0 15.3 52 53 A S S S+ 0 0 27 -36,-3.0 2,-0.2 -2,-0.3 -1,-0.1 0.878 81.6 79.6 -65.5 -40.8 2.3 14.2 11.8 53 54 A A S S- 0 0 0 -37,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.481 83.7-122.3 -72.2 137.1 0.0 11.2 12.5 54 55 A Q - 0 0 34 -2,-0.2 2,-0.4 157,-0.1 157,-0.2 -0.527 20.3-131.9 -78.5 145.4 -3.5 12.1 13.7 55 56 A V E -Y 210 0D 3 155,-3.0 155,-2.3 -2,-0.2 2,-1.2 -0.843 8.6-134.0-100.8 132.3 -4.6 10.7 17.1 56 57 A H E +Y 209 0D 17 -2,-0.4 153,-0.2 153,-0.2 3,-0.1 -0.737 32.0 172.6 -87.0 96.9 -8.0 9.1 17.4 57 58 A L - 0 0 3 151,-2.0 9,-3.4 -2,-1.2 2,-0.3 0.837 61.7 -5.8 -75.9 -40.1 -9.2 10.8 20.6 58 59 A W E -E 65 0A 47 150,-1.3 2,-0.5 7,-0.3 -1,-0.2 -0.986 58.5-139.8-154.8 158.5 -12.7 9.6 20.7 59 60 A E E >> -E 64 0A 12 5,-2.6 4,-1.6 -2,-0.3 5,-1.1 -0.955 3.0-164.0-128.8 112.1 -15.1 7.6 18.5 60 61 A K T 45S+ 0 0 61 -2,-0.5 3,-0.2 1,-0.2 -1,-0.2 0.919 89.3 53.1 -57.5 -49.0 -18.8 8.6 18.2 61 62 A S T 45S+ 0 0 112 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.861 120.3 30.2 -58.2 -41.8 -19.9 5.3 16.7 62 63 A S T 45S- 0 0 27 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.545 100.0-127.3 -96.9 -9.5 -18.5 3.0 19.5 63 64 A S T <5 + 0 0 68 -4,-1.6 176,-0.6 1,-0.2 2,-0.3 0.797 60.2 143.4 67.6 28.8 -18.7 5.5 22.3 64 65 A R E < -EF 59 238A 21 -5,-1.1 -5,-2.6 174,-0.1 2,-0.4 -0.705 33.0-165.0-100.4 154.0 -15.1 5.1 23.2 65 66 A V E -EF 58 237A 16 172,-2.1 172,-1.8 -2,-0.3 -7,-0.3 -0.993 25.6-109.0-136.1 142.0 -12.7 7.8 24.4 66 67 A A E - F 0 236A 0 -9,-3.4 2,-0.5 -2,-0.4 170,-0.3 -0.407 12.8-147.9 -77.9 146.3 -8.9 7.5 24.5 67 68 A N E + F 0 235A 48 168,-2.5 168,-2.2 109,-0.1 2,-0.3 -0.918 33.5 179.7-100.8 130.5 -6.8 7.2 27.6 68 69 A F E -GF 175 234A 4 107,-1.5 107,-2.5 -2,-0.5 2,-0.4 -0.961 22.6-163.6-139.1 160.4 -3.5 9.0 26.8 69 70 A Q E -GF 174 233A 71 164,-2.4 164,-2.0 -2,-0.3 2,-0.5 -0.997 2.6-170.1-141.5 133.8 -0.2 9.9 28.4 70 71 A S E -GF 173 232A 0 103,-3.0 103,-2.9 -2,-0.4 2,-0.5 -0.989 5.0-175.5-128.3 122.7 2.3 12.4 27.3 71 72 A Q E +GF 172 231A 73 160,-2.7 160,-3.0 -2,-0.5 2,-0.3 -0.970 17.8 149.9-119.4 131.2 5.8 12.5 28.9 72 73 A F E -GF 171 230A 1 99,-2.2 99,-3.3 -2,-0.5 2,-0.4 -0.985 30.4-146.3-155.2 163.6 8.3 15.2 28.1 73 74 A S E +GF 170 229A 15 156,-1.6 155,-2.6 -2,-0.3 156,-1.2 -0.988 21.2 167.6-134.9 142.9 11.1 17.3 29.4 74 75 A F E -GF 169 227A 3 95,-1.5 95,-2.8 -2,-0.4 2,-0.3 -0.968 16.7-153.6-149.6 162.2 12.1 20.9 28.6 75 76 A S E - F 0 226A 16 151,-1.8 151,-2.5 -2,-0.3 2,-0.4 -0.977 5.8-153.0-139.5 152.2 14.4 23.6 29.9 76 77 A L E + F 0 225A 6 88,-0.5 90,-3.6 91,-0.4 2,-0.3 -0.970 14.5 178.9-125.1 139.2 14.2 27.4 29.7 77 78 A K E + F 0 224A 47 147,-0.8 147,-2.7 -2,-0.4 3,-0.1 -0.999 4.4 166.5-144.0 142.4 17.1 29.8 29.7 78 79 A S - 0 0 12 -2,-0.3 5,-0.1 145,-0.2 145,-0.1 -0.990 39.2-138.0-154.8 144.2 17.5 33.5 29.5 79 80 A P S S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 144,-0.1 0.839 95.2 67.8 -67.3 -32.6 20.1 36.2 30.1 80 81 A L S S- 0 0 59 142,-0.3 -2,-0.2 1,-0.1 3,-0.1 0.049 83.9-132.4 -72.0-172.2 17.4 38.3 31.7 81 82 A S S S+ 0 0 110 1,-0.1 -1,-0.1 84,-0.0 84,-0.0 0.330 100.5 61.3-123.4 -4.6 15.6 37.4 35.0 82 83 A N S S+ 0 0 106 140,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.368 75.7 178.7-118.7 50.1 12.2 37.9 33.5 83 84 A G - 0 0 1 -3,-0.1 2,-0.3 -5,-0.1 140,-0.2 -0.225 21.7-117.3 -56.0 142.1 12.2 35.3 30.8 84 85 A A - 0 0 0 135,-0.1 139,-0.4 2,-0.1 2,-0.1 -0.931 44.7 -11.5-143.9 164.5 9.0 35.0 28.8 85 86 A D - 0 0 6 -2,-0.3 45,-1.1 137,-0.2 46,-0.8 -0.964 66.8-122.9-110.0 -20.7 6.6 33.8 27.7 86 87 A G E -TU 129 217B 0 131,-0.9 131,-1.4 43,-0.2 2,-0.3 -0.723 11.4-100.6 142.0 170.2 6.2 30.1 28.2 87 88 A I E -TU 128 216B 1 41,-1.4 41,-2.3 -2,-0.2 2,-0.4 -0.916 28.4-165.0-126.8 149.5 5.8 26.7 26.6 88 89 A A E -TU 127 215B 0 127,-2.9 127,-2.3 -2,-0.3 2,-0.5 -0.998 19.7-143.5-141.8 141.4 2.7 24.6 26.2 89 90 A F E -TU 126 214B 2 37,-2.2 37,-2.6 -2,-0.4 2,-0.3 -0.837 40.2-178.7 -92.2 133.6 1.7 21.0 25.4 90 91 A F E -TU 125 213B 1 123,-2.6 123,-2.1 -2,-0.5 2,-0.4 -0.954 31.3-154.9-141.1 161.2 -1.5 21.2 23.3 91 92 A I E +TU 124 212B 5 33,-2.4 33,-2.0 -2,-0.3 121,-0.2 -1.000 33.4 148.8-130.2 129.3 -4.1 19.1 21.5 92 93 A A E - 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