==== 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 29-AUG-05 2AUY . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PTEROCARPUS ANGOLENSIS; . AUTHOR L.BUTS,A.GARCIA-PINO,A.IMBERTY,N.AMIOT,G.-J.BOONS,S.BEECKMAN . 480 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 67.7 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 . 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 . 48 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 7.7 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 X 0 0 8 0, 0.0 56,-0.4 0, 0.0 248,-0.2 0.000 360.0 360.0 360.0 146.8 -5.7 3.2 14.7 2 2 A D + 0 0 17 246,-1.9 235,-2.3 249,-0.2 2,-0.4 0.779 360.0 32.3 -74.5 -29.9 -7.2 2.5 18.1 3 3 A S E +AB 236 248A 37 245,-1.2 245,-1.9 233,-0.2 2,-0.3 -0.981 65.2 172.7-132.8 144.8 -3.8 2.8 19.7 4 4 A L E +AB 235 247A 6 231,-2.2 231,-2.2 -2,-0.4 2,-0.3 -0.991 2.6 168.1-149.5 138.8 -0.8 5.0 18.9 5 5 A S E +AB 234 246A 32 241,-2.4 241,-2.4 -2,-0.3 2,-0.3 -0.992 1.8 170.4-152.2 149.2 2.5 5.6 20.7 6 6 A F E -AB 233 245A 6 227,-2.2 227,-2.7 -2,-0.3 2,-0.4 -0.981 13.5-153.9-155.1 154.1 5.8 7.2 19.8 7 7 A G E -AB 232 244A 8 237,-2.0 236,-1.6 -2,-0.3 237,-1.3 -0.980 10.3-171.0-142.3 129.1 8.9 8.2 21.8 8 8 A F E +A 231 0A 2 223,-3.9 223,-2.1 -2,-0.4 3,-0.1 -0.878 6.2 176.7-114.0 93.4 11.6 10.8 21.2 9 9 A P S S- 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.875 81.6 -8.2 -62.9 -33.2 14.4 10.2 23.8 10 10 A T S S- 0 0 56 -3,-0.1 20,-0.2 221,-0.1 233,-0.2 -0.848 77.1-111.0-146.5 179.3 16.2 13.1 22.0 11 11 A F - 0 0 0 18,-2.4 18,-0.2 -2,-0.3 19,-0.1 -0.712 29.7-167.6-125.1 81.8 15.6 15.1 18.8 12 12 A P - 0 0 17 0, 0.0 3,-0.1 0, 0.0 15,-0.0 -0.205 34.2-109.8 -60.8 160.3 18.1 14.4 16.1 13 13 A S S S+ 0 0 106 1,-0.2 2,-1.6 13,-0.0 13,-0.1 0.760 102.5 75.4 -67.5 -27.2 18.1 16.8 13.1 14 14 A D + 0 0 52 2,-0.0 2,-0.2 0, 0.0 -1,-0.2 -0.441 65.7 165.7 -87.8 68.4 16.7 14.5 10.5 15 15 A Q + 0 0 28 -2,-1.6 11,-0.0 1,-0.1 -4,-0.0 -0.586 17.8 172.0 -84.3 143.6 13.1 14.5 11.6 16 16 A K S S+ 0 0 107 -2,-0.2 -1,-0.1 280,-0.1 280,-0.1 0.618 73.4 49.2-120.5 -26.1 10.4 13.1 9.2 17 17 A N S S+ 0 0 2 279,-0.1 36,-2.9 278,-0.1 2,-0.4 0.160 86.9 97.7-106.2 19.5 7.2 13.1 11.4 18 18 A L E -R 52 0B 19 34,-0.2 2,-0.7 35,-0.1 34,-0.2 -0.896 58.5-148.2-112.3 137.6 7.2 16.6 12.9 19 19 A I E -R 51 0B 53 32,-3.0 32,-1.5 -2,-0.4 2,-0.5 -0.911 18.8-157.6-101.1 113.7 5.3 19.6 11.6 20 20 A F E -R 50 0B 80 -2,-0.7 2,-0.3 30,-0.2 30,-0.2 -0.816 12.8-178.8 -95.7 130.6 7.3 22.7 12.4 21 21 A Q E > -R 49 0B 31 28,-2.8 28,-2.3 -2,-0.5 3,-1.3 -0.956 51.5 -12.6-127.8 147.1 5.4 26.0 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 -0.418 125.0 -21.4 68.5-135.9 6.7 29.5 13.3 23 23 A D T 3 S+ 0 0 62 24,-3.0 -1,-0.2 10,-0.3 25,-0.2 0.394 93.7 131.7 -92.4 2.9 10.3 29.7 14.6 24 24 A A < + 0 0 10 -3,-1.3 2,-0.3 25,-0.2 9,-0.2 -0.277 26.8 152.6 -59.6 136.9 10.6 26.1 15.9 25 25 A Q E -C 32 0A 82 7,-1.8 7,-3.2 9,-0.1 2,-0.4 -0.989 45.3 -99.3-160.7 159.7 13.7 24.2 14.9 26 26 A I E +C 31 0A 30 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.717 42.5 163.5 -87.3 130.5 16.1 21.4 15.9 27 27 A K E > -C 30 0A 63 3,-2.6 3,-0.9 -2,-0.4 -16,-0.1 -0.959 66.1 -5.5-148.4 126.2 19.4 22.5 17.5 28 28 A N T 3 S- 0 0 154 -2,-0.3 -17,-0.1 1,-0.2 3,-0.1 0.934 126.0 -57.5 55.2 52.2 21.7 20.3 19.6 29 29 A N T 3 S+ 0 0 93 -18,-0.2 -18,-2.4 1,-0.2 2,-0.3 0.701 121.8 92.6 52.8 25.8 19.4 17.3 19.6 30 30 A A E < S-C 27 0A 10 -3,-0.9 -3,-2.6 -20,-0.2 2,-0.7 -0.943 81.5-107.3-140.5 159.1 16.6 19.3 21.2 31 31 A V E -CD 26 228A 0 197,-2.8 197,-2.7 -2,-0.3 2,-1.0 -0.819 23.2-158.6 -93.4 118.3 13.7 21.3 19.9 32 32 A Q E -CD 25 227A 23 -7,-3.2 -7,-1.8 -2,-0.7 195,-0.2 -0.834 9.6-175.6 -95.1 100.7 14.2 25.1 20.2 33 33 A L + 0 0 0 193,-2.1 2,-0.3 -2,-1.0 -10,-0.3 0.870 66.5 48.1 -65.4 -39.7 10.6 26.3 20.0 34 34 A T S S- 0 0 1 192,-0.3 192,-0.2 -3,-0.1 -9,-0.1 -0.808 97.5 -94.1-107.6 148.5 11.5 30.0 20.1 35 35 A K - 0 0 58 -2,-0.3 8,-1.4 184,-0.1 2,-0.3 -0.138 39.3-174.1 -58.2 147.2 14.1 31.8 18.0 36 36 A T B -X 42 0C 15 6,-0.2 2,-0.0 -4,-0.1 -1,-0.0 -0.897 21.7-110.4-136.2 164.0 17.7 32.3 19.2 37 37 A D > - 0 0 55 4,-2.3 3,-1.8 -2,-0.3 -1,-0.1 -0.157 46.5 -78.6 -88.0-172.6 20.6 34.2 17.8 38 38 A S T 3 S+ 0 0 133 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.810 131.7 44.7 -55.3 -36.2 24.0 33.0 16.3 39 39 A N T 3 S- 0 0 117 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.302 123.4-100.3 -94.5 8.5 25.4 32.4 19.8 40 40 A G S < S+ 0 0 42 -3,-1.8 -2,-0.1 1,-0.3 185,-0.1 0.628 72.9 142.2 86.8 14.2 22.3 30.7 21.2 41 41 A N - 0 0 61 1,-0.1 -4,-2.3 183,-0.0 -1,-0.3 -0.695 54.3-106.3 -92.5 142.7 20.7 33.5 23.1 42 42 A P B -X 36 0C 13 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.288 34.0-156.3 -64.3 146.6 16.9 34.1 23.2 43 43 A V - 0 0 40 -8,-1.4 181,-0.3 181,-0.2 3,-0.1 -0.832 18.0-103.2-122.4 161.7 15.4 36.9 21.3 44 44 A A S S+ 0 0 43 -2,-0.3 177,-0.2 1,-0.2 176,-0.1 -0.279 89.9 29.9 -79.8 168.1 12.2 38.9 21.6 45 45 A S S S+ 0 0 100 175,-2.5 2,-0.3 177,-0.2 175,-0.2 0.943 81.6 137.8 47.2 71.2 9.0 38.5 19.6 46 46 A T E - S 0 219B 3 173,-1.9 173,-2.2 -3,-0.1 2,-0.3 -0.999 28.6-177.6-146.2 140.3 9.1 34.9 18.6 47 47 A V E + S 0 218B 22 -2,-0.3 -24,-3.0 171,-0.2 2,-0.3 -0.994 10.3 165.6-137.0 141.8 6.6 32.1 18.4 48 48 A G E +RS 22 217B 0 169,-2.2 169,-1.9 -2,-0.3 2,-0.3 -0.984 6.1 176.8-157.4 146.2 7.1 28.4 17.4 49 49 A R E -RS 21 216B 2 -28,-2.3 -28,-2.8 -2,-0.3 2,-0.3 -0.964 11.6-156.3-147.0 160.7 5.3 25.1 17.7 50 50 A I E -RS 20 215B 0 165,-2.0 165,-1.9 -2,-0.3 2,-0.3 -0.981 8.7-171.5-138.3 148.5 5.6 21.5 16.7 51 51 A L E -RS 19 214B 2 -32,-1.5 -32,-3.0 -2,-0.3 2,-0.3 -0.986 30.3-112.1-138.9 146.2 3.0 18.8 16.1 52 52 A F E -R 18 0B 0 161,-2.3 161,-0.3 -2,-0.3 -34,-0.2 -0.625 27.8-134.5 -77.5 139.7 3.3 15.1 15.5 53 53 A S S S+ 0 0 27 -36,-2.9 2,-0.2 -2,-0.3 -1,-0.1 0.894 81.2 80.8 -63.7 -44.3 2.2 14.3 11.9 54 54 A A S S- 0 0 1 -37,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.439 83.3-123.6 -68.1 135.2 0.0 11.3 12.6 55 55 A Q - 0 0 33 -2,-0.2 2,-0.4 157,-0.1 157,-0.2 -0.513 19.3-132.9 -79.3 147.3 -3.5 12.2 13.8 56 56 A V E -Y 211 0D 3 155,-3.2 155,-2.4 -2,-0.2 2,-1.3 -0.869 6.7-136.3-104.6 132.2 -4.7 10.8 17.1 57 57 A H E +Y 210 0D 11 -2,-0.4 153,-0.2 -56,-0.4 3,-0.1 -0.734 30.1 172.4 -88.8 94.4 -8.2 9.2 17.5 58 58 A L - 0 0 4 151,-1.8 9,-3.2 -2,-1.3 2,-0.3 0.818 63.7 -5.3 -73.0 -37.1 -9.2 10.9 20.8 59 59 A W E -E 66 0A 38 150,-1.4 2,-0.4 7,-0.2 7,-0.2 -0.990 56.8-144.1-157.4 158.7 -12.8 9.6 20.7 60 60 A E E >> -E 65 0A 11 5,-2.5 5,-1.5 -2,-0.3 4,-1.1 -0.957 1.5-163.4-132.7 113.4 -15.2 7.7 18.4 61 61 A K T 45S+ 0 0 160 -2,-0.4 -1,-0.1 3,-0.2 5,-0.0 0.879 88.5 56.5 -61.9 -41.2 -18.9 8.5 18.3 62 62 A S T 45S+ 0 0 108 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.938 119.4 28.8 -58.2 -51.6 -20.0 5.3 16.7 63 63 A S T 45S- 0 0 28 2,-0.1 -1,-0.2 176,-0.0 -2,-0.2 0.519 103.4-127.8 -88.0 -6.1 -18.5 3.0 19.4 64 64 A S T <5 + 0 0 81 -4,-1.1 176,-0.4 1,-0.2 2,-0.3 0.851 58.2 149.7 61.9 34.9 -18.9 5.6 22.1 65 65 A R E < -E 60 0A 22 -5,-1.5 -5,-2.5 174,-0.1 2,-0.4 -0.707 32.5-163.3-101.8 153.6 -15.3 5.1 23.0 66 66 A V E -EF 59 238A 15 172,-1.9 172,-2.0 -2,-0.3 -7,-0.2 -0.997 20.2-122.9-134.3 137.8 -12.9 7.7 24.5 67 67 A A E - F 0 237A 0 -9,-3.2 2,-0.3 -2,-0.4 170,-0.3 -0.471 9.5-145.6 -83.1 149.6 -9.1 7.4 24.5 68 68 A N E - F 0 236A 51 168,-2.1 168,-1.7 -2,-0.2 2,-0.3 -0.754 27.8-172.8-100.5 154.9 -6.9 7.5 27.6 69 69 A F E -GF 176 235A 6 107,-1.5 107,-2.6 -2,-0.3 2,-0.4 -0.996 19.9-163.3-152.2 155.2 -3.6 9.2 26.9 70 70 A Q E -GF 175 234A 79 164,-2.3 164,-1.8 -2,-0.3 2,-0.5 -0.994 5.3-171.7-140.1 130.2 -0.3 9.9 28.6 71 71 A S E -GF 174 233A 0 103,-2.9 103,-2.9 -2,-0.4 2,-0.4 -0.988 3.5-174.5-127.2 122.8 2.3 12.4 27.5 72 72 A Q E +GF 173 232A 105 160,-2.7 160,-2.9 -2,-0.5 2,-0.3 -0.966 19.0 145.7-118.8 131.2 5.7 12.5 29.1 73 73 A F E -GF 172 231A 3 99,-2.1 99,-3.3 -2,-0.4 2,-0.3 -0.980 30.8-146.7-157.3 165.3 8.2 15.2 28.3 74 74 A S E +GF 171 230A 11 156,-1.5 155,-2.4 -2,-0.3 156,-1.2 -0.991 19.2 169.6-138.9 145.1 11.0 17.4 29.7 75 75 A F E -GF 170 228A 2 95,-1.4 95,-2.7 -2,-0.3 2,-0.3 -0.968 16.6-149.6-149.4 162.7 12.0 20.9 28.9 76 76 A S E - F 0 227A 15 151,-1.8 151,-2.4 -2,-0.3 2,-0.4 -0.973 7.0-148.0-136.8 151.2 14.3 23.7 30.2 77 77 A L E - F 0 226A 6 88,-0.4 90,-3.7 91,-0.4 2,-0.4 -0.968 16.5-179.1-121.5 135.8 14.1 27.5 30.1 78 78 A K E + F 0 225A 34 147,-0.8 147,-2.9 -2,-0.4 3,-0.1 -0.998 6.1 164.3-138.5 138.1 17.1 29.8 30.0 79 79 A S - 0 0 11 -2,-0.4 145,-0.1 145,-0.2 5,-0.1 -0.988 40.8-134.2-153.9 141.7 17.5 33.5 29.9 80 80 A P S S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 144,-0.1 0.834 101.0 47.8 -61.2 -32.3 20.2 36.1 30.4 81 81 A L S S- 0 0 95 142,-0.3 -2,-0.2 -3,-0.1 143,-0.0 0.408 87.8-124.5 -81.9-140.6 17.7 38.0 32.6 82 82 A S S S+ 0 0 93 -4,-0.1 2,-0.2 84,-0.0 84,-0.1 0.326 96.6 71.7-148.1 -18.0 15.6 36.6 35.4 83 83 A N S S+ 0 0 106 140,-0.1 48,-0.0 2,-0.0 140,-0.0 -0.319 72.5 176.3 -99.7 46.7 12.1 37.7 34.2 84 84 A G - 0 0 0 -2,-0.2 2,-0.3 138,-0.1 140,-0.2 -0.167 19.5-116.0 -54.8 145.5 12.1 35.2 31.3 85 85 A A - 0 0 0 135,-0.1 139,-0.3 2,-0.1 2,-0.1 -0.950 47.8 -12.2-144.6 161.1 8.9 35.0 29.2 86 86 A D - 0 0 4 -2,-0.3 45,-1.3 137,-0.2 46,-0.8 -0.960 67.3-125.9-110.2 -20.4 6.5 33.8 28.1 87 87 A G E -TU 130 218B 0 131,-0.8 131,-1.3 43,-0.2 2,-0.3 -0.754 12.6 -98.2 140.0 172.8 6.2 30.0 28.6 88 88 A I E -TU 129 217B 2 41,-1.4 41,-2.5 -2,-0.2 2,-0.4 -0.918 28.6-165.3-128.5 152.5 5.7 26.7 27.0 89 89 A A E -TU 128 216B 0 127,-2.7 127,-2.3 -2,-0.3 2,-0.4 -0.999 19.5-141.7-145.0 141.4 2.6 24.5 26.6 90 90 A F E -TU 127 215B 3 37,-2.3 37,-2.7 -2,-0.4 2,-0.3 -0.828 40.0-177.5 -91.9 133.9 1.7 21.0 25.6 91 91 A F E -TU 126 214B 2 123,-2.7 123,-2.1 -2,-0.4 2,-0.4 -0.957 31.6-154.4-141.6 161.5 -1.5 21.1 23.6 92 92 A I E +TU 125 213B 5 33,-2.3 33,-1.8 -2,-0.3 121,-0.2 -0.998 33.7 150.6-128.6 128.6 -4.2 19.1 21.8 93 93 A A E - 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