==== 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 19-AUG-05 2ARE . 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, . 480 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18407.0 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 . 210 43.8 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 . 46 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 8.5 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 7 1 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 Q 0 0 9 0, 0.0 56,-0.4 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 19 246,-1.9 235,-2.2 249,-0.2 2,-0.4 0.774 360.0 33.0 -72.8 -29.2 -7.2 2.4 18.1 3 3 A S E +AB 236 248A 35 245,-1.4 245,-1.9 233,-0.2 2,-0.3 -0.975 64.7 174.8-131.7 147.3 -3.8 2.8 19.7 4 4 A L E +AB 235 247A 4 231,-2.1 231,-2.4 -2,-0.4 2,-0.3 -0.986 1.8 173.1-151.3 136.6 -0.8 4.8 18.9 5 5 A S E +AB 234 246A 30 241,-2.4 241,-2.5 -2,-0.3 2,-0.3 -0.997 0.8 170.5-145.1 144.1 2.6 5.3 20.7 6 6 A F E -AB 233 245A 6 227,-2.2 227,-2.7 -2,-0.3 2,-0.4 -0.988 12.5-157.6-151.8 150.6 5.8 7.1 19.9 7 7 A G E -AB 232 244A 7 237,-2.0 236,-1.8 -2,-0.3 237,-1.5 -0.989 11.5-175.3-139.8 131.6 8.9 8.0 21.7 8 8 A F E +A 231 0A 3 223,-3.1 223,-2.5 -2,-0.4 3,-0.1 -0.900 5.4 175.4-119.7 93.1 11.6 10.7 21.2 9 9 A P S S- 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.800 82.0 -6.8 -67.1 -28.8 14.4 10.2 23.9 10 10 A T S S- 0 0 53 -3,-0.1 20,-0.2 221,-0.1 233,-0.2 -0.880 77.0-113.2-150.8 175.9 16.2 13.0 22.0 11 11 A F - 0 0 0 18,-2.4 18,-0.2 -2,-0.3 16,-0.1 -0.750 28.3-165.9-124.5 86.1 15.6 14.9 18.8 12 12 A P - 0 0 18 0, 0.0 14,-0.0 0, 0.0 -2,-0.0 -0.269 34.8-110.1 -64.8 159.1 18.2 14.3 16.1 13 13 A S S S+ 0 0 101 1,-0.2 2,-1.8 13,-0.0 13,-0.1 0.757 102.5 82.1 -63.2 -26.0 18.3 16.7 13.2 14 14 A D + 0 0 50 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.506 63.7 164.1 -83.5 75.4 16.9 14.2 10.7 15 15 A Q + 0 0 30 -2,-1.8 -2,-0.0 1,-0.1 11,-0.0 -0.749 18.8 164.4 -97.6 140.4 13.2 14.4 11.5 16 16 A K S S+ 0 0 107 -2,-0.4 -1,-0.1 280,-0.1 281,-0.0 0.636 72.8 49.0-121.2 -27.4 10.4 13.1 9.2 17 17 A N S S+ 0 0 3 279,-0.1 36,-2.9 278,-0.1 2,-0.4 0.148 87.5 94.7-105.8 18.5 7.3 13.0 11.4 18 18 A L E -R 52 0B 17 34,-0.2 2,-0.6 35,-0.1 34,-0.2 -0.913 59.6-147.8-114.1 137.5 7.2 16.4 12.9 19 19 A I E -R 51 0B 53 32,-2.8 32,-1.6 -2,-0.4 2,-0.4 -0.912 18.9-156.5 -99.5 119.1 5.4 19.5 11.6 20 20 A F E -R 50 0B 77 -2,-0.6 2,-0.3 30,-0.2 30,-0.2 -0.847 12.5-176.2 -99.1 134.3 7.4 22.6 12.5 21 21 A Q E > -R 49 0B 30 28,-2.7 28,-2.0 -2,-0.4 3,-1.5 -0.945 51.1 -13.3-128.9 149.7 5.5 25.9 12.6 22 22 A G E 3 S-R 48 0B 56 -2,-0.3 26,-0.3 1,-0.2 12,-0.1 -0.351 126.0 -20.1 64.0-137.0 6.8 29.4 13.2 23 23 A D T 3 S+ 0 0 50 24,-3.5 -1,-0.2 10,-0.2 25,-0.2 0.419 93.8 132.7 -88.5 1.1 10.4 29.5 14.5 24 24 A A < + 0 0 9 -3,-1.5 2,-0.3 25,-0.2 9,-0.2 -0.230 25.8 154.9 -58.3 136.0 10.7 26.0 15.8 25 25 A Q E -C 32 0A 91 7,-2.3 7,-3.4 9,-0.1 2,-0.3 -0.996 43.8-103.8-159.2 157.2 13.8 24.0 14.9 26 26 A I E +C 31 0A 28 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.643 42.5 164.0 -82.2 138.6 16.0 21.2 15.9 27 27 A K E > -C 30 0A 64 3,-2.6 3,-1.3 -2,-0.3 -16,-0.1 -0.923 63.6 -6.8-158.3 125.4 19.4 22.2 17.4 28 28 A N T 3 S- 0 0 151 -2,-0.3 3,-0.1 1,-0.3 -17,-0.1 0.907 126.8 -54.8 54.1 47.6 21.8 20.2 19.5 29 29 A N T 3 S+ 0 0 91 -18,-0.2 -18,-2.4 1,-0.2 2,-0.3 0.647 122.4 88.6 64.7 15.9 19.5 17.1 19.7 30 30 A A E < S-C 27 0A 11 -3,-1.3 -3,-2.6 -20,-0.2 2,-0.6 -0.926 82.0-107.8-137.5 161.8 16.6 19.1 21.2 31 31 A V E -CD 26 228A 0 197,-2.5 197,-2.6 -2,-0.3 2,-0.9 -0.836 24.3-157.8 -92.6 122.4 13.7 21.1 19.8 32 32 A Q E -CD 25 227A 25 -7,-3.4 -7,-2.3 -2,-0.6 195,-0.2 -0.884 9.1-174.0 -96.9 105.9 14.2 24.9 20.2 33 33 A L + 0 0 0 193,-2.3 2,-0.3 -2,-0.9 -10,-0.2 0.858 67.2 47.2 -71.0 -34.3 10.7 26.2 20.0 34 34 A T S S- 0 0 1 192,-0.4 192,-0.2 -3,-0.1 -9,-0.1 -0.829 98.8 -91.0-111.4 150.4 11.7 29.8 20.1 35 35 A K - 0 0 74 -2,-0.3 8,-1.4 184,-0.1 2,-0.3 -0.136 37.9-170.1 -59.5 143.5 14.3 31.6 18.0 36 36 A T B -X 42 0C 19 6,-0.2 2,-0.0 -4,-0.1 -1,-0.0 -0.913 20.1-116.8-129.7 158.0 17.9 31.9 19.2 37 37 A D > - 0 0 56 4,-2.5 3,-2.1 -2,-0.3 -1,-0.0 -0.198 47.5 -76.8 -85.5-175.4 20.8 34.0 17.8 38 38 A S T 3 S+ 0 0 130 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.740 132.9 46.4 -52.0 -29.9 24.1 32.8 16.4 39 39 A N T 3 S- 0 0 118 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.456 122.6-101.2 -95.4 -3.7 25.4 32.2 19.9 40 40 A G S < S+ 0 0 39 -3,-2.1 -2,-0.1 1,-0.3 185,-0.1 0.591 73.5 143.0 95.3 11.6 22.4 30.3 21.2 41 41 A N - 0 0 75 1,-0.1 -4,-2.5 183,-0.0 -1,-0.3 -0.638 54.1-109.1 -87.3 142.7 20.9 33.2 23.1 42 42 A P B -X 36 0C 12 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.343 34.2-156.0 -68.1 151.3 17.1 33.8 23.2 43 43 A V - 0 0 40 -8,-1.4 181,-0.3 181,-0.2 3,-0.1 -0.876 17.7-101.7-126.8 159.5 15.6 36.7 21.3 44 44 A A S S+ 0 0 41 -2,-0.3 177,-0.2 1,-0.2 176,-0.2 -0.264 90.2 30.6 -75.2 165.5 12.5 38.7 21.6 45 45 A S S S+ 0 0 101 175,-2.3 2,-0.3 177,-0.2 175,-0.2 0.943 80.7 133.9 52.1 69.3 9.3 38.4 19.4 46 46 A T E - S 0 219B 4 173,-2.1 173,-2.3 -3,-0.1 2,-0.3 -0.999 29.8-176.4-148.4 142.8 9.3 34.7 18.5 47 47 A V E + S 0 218B 24 -2,-0.3 -24,-3.5 171,-0.2 2,-0.3 -0.989 11.0 167.4-135.9 145.0 6.7 31.9 18.3 48 48 A G E +RS 22 217B 0 169,-2.3 169,-2.0 -2,-0.3 2,-0.3 -0.982 6.0 176.9-159.1 147.4 7.2 28.3 17.4 49 49 A R E -RS 21 216B 1 -28,-2.0 -28,-2.7 -2,-0.3 2,-0.3 -0.964 10.8-158.4-147.4 159.4 5.3 25.0 17.6 50 50 A I E -RS 20 215B 0 165,-2.1 165,-1.9 -2,-0.3 2,-0.3 -0.979 7.6-171.3-137.3 150.8 5.7 21.4 16.6 51 51 A L E -RS 19 214B 2 -32,-1.6 -32,-2.8 -2,-0.3 2,-0.3 -0.987 30.6-112.7-137.8 147.3 3.1 18.7 16.1 52 52 A F E -R 18 0B 0 161,-2.3 161,-0.3 -2,-0.3 -34,-0.2 -0.632 29.4-132.8 -76.5 144.3 3.4 15.0 15.5 53 53 A S S S+ 0 0 27 -36,-2.9 2,-0.2 -2,-0.3 -1,-0.1 0.873 80.9 80.4 -71.5 -36.2 2.3 14.2 12.0 54 54 A A S S- 0 0 0 -37,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.494 83.5-121.7 -73.6 139.4 0.0 11.2 12.6 55 55 A Q - 0 0 30 -2,-0.2 2,-0.4 157,-0.1 157,-0.2 -0.548 20.1-132.5 -79.8 144.9 -3.4 12.1 13.9 56 56 A V E -Y 211 0D 2 155,-3.0 155,-2.3 -2,-0.2 2,-1.3 -0.837 8.5-134.4-101.0 132.1 -4.6 10.7 17.2 57 57 A H E +Y 210 0D 10 -2,-0.4 153,-0.2 -56,-0.4 3,-0.1 -0.724 31.5 173.3 -87.9 96.7 -8.0 9.1 17.5 58 58 A L - 0 0 3 151,-2.0 9,-3.3 -2,-1.3 2,-0.3 0.821 62.4 -5.3 -75.7 -36.8 -9.1 10.8 20.8 59 59 A W E -E 66 0A 41 150,-1.3 2,-0.4 7,-0.3 7,-0.2 -0.986 58.3-144.7-156.8 157.1 -12.7 9.5 20.8 60 60 A E E >> -E 65 0A 13 5,-2.4 5,-1.4 -2,-0.3 4,-1.2 -0.927 1.7-163.5-134.0 108.6 -15.0 7.5 18.6 61 61 A K T >45S+ 0 0 160 -2,-0.4 3,-0.8 1,-0.2 -1,-0.2 0.921 87.9 56.9 -54.0 -52.0 -18.7 8.3 18.5 62 62 A S T 345S+ 0 0 110 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.840 118.9 30.8 -52.4 -39.1 -19.8 5.1 16.9 63 63 A S T 345S- 0 0 46 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.2 0.484 101.5-126.6-100.4 -3.9 -18.3 2.9 19.6 64 64 A S T <<5 + 0 0 83 -4,-1.2 176,-0.4 -3,-0.8 2,-0.3 0.792 61.2 143.9 63.6 28.6 -18.8 5.4 22.5 65 65 A R E < -E 60 0A 46 -5,-1.4 -5,-2.4 174,-0.1 2,-0.4 -0.686 33.4-166.3-100.6 156.2 -15.1 5.0 23.3 66 66 A V E -EF 59 238A 18 172,-2.2 172,-1.8 -2,-0.3 -7,-0.3 -0.997 27.0-108.4-138.4 140.5 -12.7 7.7 24.6 67 67 A A E - F 0 237A 0 -9,-3.3 2,-0.5 -2,-0.4 170,-0.3 -0.395 12.2-147.2 -75.7 145.2 -8.9 7.5 24.7 68 68 A N E - F 0 236A 49 168,-2.4 168,-2.2 109,-0.1 2,-0.3 -0.928 34.4-179.9 -98.7 127.5 -6.8 7.1 27.8 69 69 A F E -GF 176 235A 5 107,-1.4 107,-2.4 -2,-0.5 2,-0.4 -0.946 22.3-166.2-136.4 158.9 -3.6 9.0 26.9 70 70 A Q E -GF 175 234A 71 164,-2.3 164,-2.2 -2,-0.3 2,-0.4 -0.995 2.2-171.7-141.9 133.7 -0.2 9.8 28.6 71 71 A S E -GF 174 233A 0 103,-2.7 103,-2.7 -2,-0.4 2,-0.4 -0.995 5.0-174.6-129.4 124.4 2.3 12.3 27.5 72 72 A Q E +GF 173 232A 99 160,-2.6 160,-3.0 -2,-0.4 2,-0.3 -0.974 17.7 150.0-119.5 133.2 5.7 12.5 29.2 73 73 A F E -GF 172 231A 2 99,-2.2 99,-3.2 -2,-0.4 2,-0.3 -0.986 30.3-146.1-156.9 164.3 8.2 15.2 28.3 74 74 A S E +GF 171 230A 9 156,-1.6 155,-2.5 -2,-0.3 156,-1.1 -0.984 20.8 168.7-134.8 144.7 11.1 17.2 29.7 75 75 A F E -GF 170 228A 3 95,-1.6 95,-2.8 -2,-0.3 2,-0.3 -0.970 16.6-152.1-149.9 163.3 12.1 20.8 28.9 76 76 A S E - F 0 227A 12 151,-1.9 151,-2.6 -2,-0.3 2,-0.4 -0.982 5.9-150.7-139.2 152.4 14.3 23.5 30.2 77 77 A L E - F 0 226A 5 88,-0.4 90,-3.5 91,-0.4 2,-0.4 -0.980 15.0-177.3-123.6 134.6 14.2 27.3 30.0 78 78 A K E + F 0 225A 45 147,-0.7 147,-2.6 -2,-0.4 3,-0.1 -0.991 8.0 160.4-134.3 142.7 17.2 29.6 30.0 79 79 A S - 0 0 15 -2,-0.4 145,-0.1 145,-0.2 5,-0.1 -0.976 43.1-139.5-162.1 145.1 17.6 33.4 30.0 80 80 A P S S+ 0 0 97 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.790 92.2 78.1 -71.0 -28.7 20.0 36.2 30.7 81 81 A L S S- 0 0 47 142,-0.3 3,-0.4 1,-0.1 -2,-0.1 -0.427 82.5-134.9 -78.9 155.7 17.1 38.0 32.3 82 82 A S S S+ 0 0 113 1,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.603 103.3 49.1 -85.8 -13.4 15.8 37.2 35.7 83 83 A N S S- 0 0 81 140,-0.1 -1,-0.2 2,-0.0 140,-0.1 -0.589 79.4-177.5-125.5 70.7 12.2 37.3 34.4 84 84 A G - 0 0 0 -3,-0.4 2,-0.3 -2,-0.2 140,-0.2 -0.239 22.3-104.0 -65.6 155.9 12.2 35.2 31.2 85 85 A A - 0 0 0 135,-0.1 139,-0.4 2,-0.1 2,-0.1 -0.949 50.6 -14.6-147.0 164.4 9.0 34.9 29.1 86 86 A D - 0 0 7 -2,-0.3 45,-1.0 137,-0.2 46,-0.8 -0.965 67.2-122.0-109.3 -20.6 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 -0.722 11.6-101.5 141.8 169.8 6.2 30.0 28.5 88 88 A I E -TU 129 217B 1 41,-1.5 41,-2.4 -2,-0.2 2,-0.4 -0.917 28.5-166.2-126.9 150.3 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 -0.999 20.5-142.1-142.6 143.5 2.7 24.5 26.5 90 90 A F E -TU 127 215B 2 37,-2.2 37,-2.6 -2,-0.4 2,-0.3 -0.845 39.9-177.5 -92.8 134.1 1.7 20.9 25.6 91 91 A F E -TU 126 214B 1 123,-2.7 123,-2.3 -2,-0.5 2,-0.4 -0.957 30.2-154.3-140.6 160.8 -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 -1.000 33.6 150.6-129.6 127.6 -4.1 19.0 21.7 93 93 A A E - 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