==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 06-JAN-04 1S1A . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PTEROCARPUS ANGOLENSIS; . AUTHOR L.BUTS,A.IMBERTY,L.WYNS,S.BEECKMANS,R.LORIS . 480 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18548.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 67.3 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 43.5 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 . 45 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.1 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 1 A Q 0 0 9 0, 0.0 56,-0.4 0, 0.0 248,-0.2 0.000 360.0 360.0 360.0 143.9 -5.6 3.1 14.7 2 2 A D + 0 0 17 246,-1.9 235,-2.2 249,-0.2 2,-0.4 0.786 360.0 33.9 -73.5 -29.4 -7.3 2.4 18.1 3 3 A S E +AB 236 248A 40 245,-1.3 245,-1.9 233,-0.2 2,-0.3 -0.971 65.4 172.2-131.1 145.8 -3.8 2.8 19.7 4 4 A L E +AB 235 247A 5 231,-2.1 231,-2.2 -2,-0.4 2,-0.3 -0.988 2.2 169.3-150.3 138.5 -0.8 4.9 18.9 5 5 A S E +AB 234 246A 28 241,-2.4 241,-2.3 -2,-0.3 2,-0.3 -0.995 1.5 171.0-150.7 149.4 2.5 5.5 20.7 6 6 A F E -AB 233 245A 5 227,-2.2 227,-2.6 -2,-0.3 2,-0.4 -0.987 13.0-154.6-155.1 152.6 5.8 7.1 19.9 7 7 A G E -AB 232 244A 7 237,-2.0 236,-1.7 -2,-0.3 237,-1.4 -0.986 10.6-173.2-140.7 130.9 8.9 8.1 21.8 8 8 A F E +A 231 0A 3 223,-3.5 223,-2.4 -2,-0.4 3,-0.1 -0.894 5.9 175.9-117.4 94.5 11.6 10.7 21.3 9 9 A P S S- 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.835 81.7 -6.7 -65.8 -31.4 14.4 10.2 23.9 10 10 A T S S- 0 0 55 -3,-0.1 20,-0.2 221,-0.1 233,-0.2 -0.875 77.9-111.9-149.2 175.3 16.2 13.0 22.1 11 11 A F - 0 0 0 18,-2.6 18,-0.2 -2,-0.3 19,-0.1 -0.711 29.1-165.6-123.3 82.4 15.6 15.0 18.9 12 12 A P - 0 0 18 0, 0.0 14,-0.0 0, 0.0 15,-0.0 -0.178 33.2-110.1 -60.4 158.9 18.1 14.3 16.1 13 13 A S S S+ 0 0 107 1,-0.2 2,-1.7 13,-0.0 13,-0.1 0.787 102.7 76.1 -63.5 -31.0 18.2 16.8 13.2 14 14 A D + 0 0 54 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.512 65.6 167.3 -85.8 75.5 16.8 14.4 10.6 15 15 A Q + 0 0 30 -2,-1.7 -2,-0.0 1,-0.1 11,-0.0 -0.678 17.2 169.2 -90.3 141.7 13.1 14.5 11.6 16 16 A K S S+ 0 0 106 -2,-0.3 -1,-0.1 280,-0.1 281,-0.1 0.638 73.3 47.4-119.9 -28.5 10.4 13.1 9.3 17 17 A N S S+ 0 0 3 279,-0.1 36,-2.9 278,-0.1 2,-0.4 0.128 87.9 95.5-106.6 20.5 7.2 13.0 11.4 18 18 A L E -R 52 0B 17 34,-0.2 2,-0.7 35,-0.1 34,-0.2 -0.919 59.5-146.6-114.8 137.8 7.2 16.5 13.0 19 19 A I E -R 51 0B 56 32,-3.1 32,-1.6 -2,-0.4 2,-0.4 -0.905 18.6-156.0-100.4 116.3 5.3 19.5 11.7 20 20 A F E -R 50 0B 80 -2,-0.7 2,-0.4 30,-0.2 30,-0.2 -0.799 13.2-177.8 -95.3 132.5 7.3 22.7 12.5 21 21 A Q E > -R 49 0B 30 28,-2.7 28,-2.2 -2,-0.4 3,-1.4 -0.965 51.4 -13.6-129.6 146.9 5.4 26.0 12.7 22 22 A G E 3 S-R 48 0B 57 -2,-0.4 26,-0.3 1,-0.2 12,-0.1 -0.421 125.4 -21.1 68.0-135.3 6.8 29.5 13.3 23 23 A D T 3 S+ 0 0 63 24,-3.3 -1,-0.2 10,-0.3 25,-0.2 0.375 94.4 132.0 -92.6 4.3 10.4 29.6 14.6 24 24 A A < + 0 0 9 -3,-1.4 2,-0.3 25,-0.2 9,-0.2 -0.293 26.5 152.3 -61.5 137.3 10.6 26.1 15.9 25 25 A Q E -C 32 0A 95 7,-1.9 7,-3.2 9,-0.1 2,-0.4 -0.990 45.4 -99.2-161.2 159.7 13.7 24.1 14.9 26 26 A I E +C 31 0A 29 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.708 42.5 164.3 -86.8 131.5 16.0 21.3 16.0 27 27 A K E > -C 30 0A 37 3,-2.7 3,-0.9 -2,-0.4 -16,-0.1 -0.949 64.8 -7.3-149.8 124.7 19.3 22.4 17.6 28 28 A N T 3 S- 0 0 156 -2,-0.3 3,-0.1 1,-0.2 -17,-0.1 0.928 126.4 -54.6 56.2 51.5 21.8 20.2 19.6 29 29 A N T 3 S+ 0 0 95 -18,-0.2 -18,-2.6 1,-0.2 2,-0.3 0.675 122.8 90.0 58.8 20.3 19.5 17.1 19.7 30 30 A A E < S-C 27 0A 10 -3,-0.9 -3,-2.7 -20,-0.2 2,-0.6 -0.937 81.0-107.9-140.2 161.6 16.6 19.2 21.2 31 31 A V E -CD 26 228A 0 197,-2.5 197,-2.6 -2,-0.3 2,-0.9 -0.833 22.9-158.9 -95.1 121.0 13.7 21.2 19.9 32 32 A Q E -CD 25 227A 27 -7,-3.2 -7,-1.9 -2,-0.6 195,-0.2 -0.869 8.5-175.1 -98.0 102.7 14.1 25.0 20.2 33 33 A L + 0 0 0 193,-2.2 2,-0.3 -2,-0.9 -10,-0.3 0.872 68.1 47.3 -67.1 -37.9 10.6 26.2 20.1 34 34 A T S S- 0 0 1 192,-0.4 192,-0.2 -3,-0.1 -9,-0.1 -0.806 98.8 -91.5-108.8 149.9 11.6 29.9 20.1 35 35 A K - 0 0 59 -2,-0.3 8,-1.4 184,-0.1 2,-0.3 -0.159 37.6-170.0 -59.0 144.6 14.2 31.6 18.1 36 36 A T B -X 42 0C 28 6,-0.2 4,-0.1 -4,-0.1 -4,-0.0 -0.956 20.5-116.0-133.2 150.7 17.8 32.0 19.3 37 37 A D > - 0 0 62 4,-3.0 3,-1.7 -2,-0.3 4,-0.1 -0.042 49.3 -72.3 -77.7-174.1 20.7 34.1 17.9 38 38 A S T 3 S+ 0 0 138 1,-0.3 2,-0.1 2,-0.1 -1,-0.1 0.849 133.2 45.0 -45.6 -46.0 24.0 32.9 16.4 39 39 A N T 3 S- 0 0 93 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 -0.173 123.9 -96.7 -97.4 40.7 25.4 32.0 19.8 40 40 A G S < S+ 0 0 48 -3,-1.7 -2,-0.1 1,-0.2 185,-0.1 0.769 76.4 145.1 53.7 32.7 22.3 30.2 21.1 41 41 A N - 0 0 71 -4,-0.1 -4,-3.0 1,-0.1 -1,-0.2 -0.847 52.5-106.0-104.2 138.2 20.9 33.2 23.0 42 42 A P B -X 36 0C 15 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.218 34.6-160.2 -60.2 145.3 17.2 33.9 23.3 43 43 A V - 0 0 37 -8,-1.4 181,-0.3 181,-0.2 3,-0.1 -0.895 17.6-105.9-127.6 157.5 15.6 36.7 21.3 44 44 A A S S+ 0 0 44 -2,-0.3 177,-0.2 1,-0.2 176,-0.2 -0.265 88.4 30.9 -78.4 166.5 12.4 38.8 21.7 45 45 A S S S+ 0 0 101 175,-2.6 2,-0.3 177,-0.2 175,-0.2 0.950 82.1 135.5 50.7 69.1 9.2 38.5 19.5 46 46 A T E - S 0 219B 3 173,-2.1 173,-2.2 -3,-0.1 2,-0.3 -0.999 30.1-176.5-146.3 144.2 9.2 34.9 18.6 47 47 A V E + S 0 218B 25 -2,-0.3 -24,-3.3 171,-0.2 2,-0.3 -0.992 10.4 166.8-138.5 144.6 6.7 32.0 18.4 48 48 A G E +RS 22 217B 0 169,-2.1 169,-2.0 -2,-0.3 2,-0.3 -0.983 6.0 176.6-158.8 147.5 7.1 28.4 17.5 49 49 A R E -RS 21 216B 1 -28,-2.2 -28,-2.7 -2,-0.3 2,-0.3 -0.970 11.2-157.0-148.2 159.5 5.2 25.1 17.7 50 50 A I E -RS 20 215B 0 165,-2.1 165,-1.9 -2,-0.3 2,-0.3 -0.985 8.1-171.0-137.9 148.4 5.6 21.4 16.7 51 51 A L E -RS 19 214B 2 -32,-1.6 -32,-3.1 -2,-0.3 2,-0.3 -0.985 30.0-113.4-137.3 145.7 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 -0.639 28.5-133.5 -77.4 140.2 3.4 15.1 15.6 53 53 A S S S+ 0 0 27 -36,-2.9 2,-0.1 -2,-0.3 -1,-0.1 0.890 81.0 80.3 -64.3 -43.8 2.2 14.3 12.0 54 54 A A S S- 0 0 0 -37,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.442 83.6-122.0 -68.8 136.6 0.0 11.3 12.7 55 55 A Q - 0 0 30 -2,-0.1 2,-0.4 157,-0.1 157,-0.2 -0.530 19.7-133.1 -79.2 144.5 -3.5 12.1 13.9 56 56 A V E -Y 211 0D 3 155,-3.2 155,-2.4 -2,-0.2 2,-1.3 -0.841 8.1-135.4-101.3 131.8 -4.7 10.8 17.2 57 57 A H E +Y 210 0D 11 -2,-0.4 153,-0.2 -56,-0.4 3,-0.1 -0.716 30.5 173.2 -87.8 95.0 -8.1 9.2 17.6 58 58 A L - 0 0 3 151,-1.8 9,-3.3 -2,-1.3 2,-0.3 0.829 62.7 -5.3 -72.6 -38.4 -9.2 10.8 20.8 59 59 A W E -E 66 0A 40 150,-1.3 2,-0.5 7,-0.3 7,-0.2 -0.987 57.3-143.0-156.9 154.9 -12.8 9.5 20.8 60 60 A E E >> -E 65 0A 11 5,-2.5 4,-1.5 -2,-0.3 5,-1.4 -0.948 2.6-163.6-128.0 111.0 -15.2 7.6 18.6 61 61 A K T 45S+ 0 0 106 -2,-0.5 -1,-0.1 1,-0.2 5,-0.0 0.806 88.3 56.9 -61.2 -33.6 -18.8 8.5 18.4 62 62 A S T 45S+ 0 0 109 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.915 119.3 28.2 -67.0 -44.7 -19.9 5.2 16.9 63 63 A S T 45S- 0 0 29 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.537 102.5-127.7 -93.1 -9.3 -18.5 2.9 19.6 64 64 A S T <5 + 0 0 80 -4,-1.5 176,-0.4 1,-0.2 2,-0.3 0.827 59.1 147.4 64.9 32.6 -18.9 5.6 22.3 65 65 A R E < -E 60 0A 24 -5,-1.4 -5,-2.5 174,-0.1 2,-0.4 -0.692 33.2-162.0-100.1 153.8 -15.2 5.1 23.2 66 66 A V E -EF 59 238A 12 172,-2.0 172,-1.9 -2,-0.3 -7,-0.3 -0.994 21.8-116.9-134.3 140.3 -12.8 7.7 24.6 67 67 A A E - F 0 237A 0 -9,-3.3 2,-0.4 -2,-0.4 170,-0.3 -0.458 11.5-146.5 -81.2 146.8 -9.0 7.4 24.6 68 68 A N E - F 0 236A 51 168,-2.3 168,-2.1 -2,-0.2 2,-0.3 -0.869 29.8-175.7-101.9 141.7 -6.9 7.3 27.7 69 69 A F E -GF 176 235A 4 107,-1.4 107,-2.5 -2,-0.4 2,-0.4 -0.982 21.3-163.3-143.6 157.1 -3.6 9.1 27.0 70 70 A Q E -GF 175 234A 77 164,-2.3 164,-2.0 -2,-0.3 2,-0.5 -0.996 4.4-171.7-139.5 131.0 -0.3 9.8 28.6 71 71 A S E -GF 174 233A 0 103,-2.8 103,-2.9 -2,-0.4 2,-0.5 -0.990 4.5-175.1-126.8 123.1 2.3 12.4 27.6 72 72 A Q E +GF 173 232A 102 160,-2.7 160,-2.8 -2,-0.5 2,-0.3 -0.972 18.1 148.7-120.1 130.3 5.7 12.5 29.2 73 73 A F E -GF 172 231A 3 99,-2.2 99,-3.3 -2,-0.5 2,-0.4 -0.988 30.5-146.5-156.3 162.5 8.2 15.2 28.4 74 74 A S E +GF 171 230A 10 156,-1.6 155,-2.6 -2,-0.3 156,-1.1 -0.987 20.0 169.4-134.5 143.9 11.0 17.3 29.8 75 75 A F E -GF 170 228A 3 95,-1.4 95,-2.8 -2,-0.4 2,-0.3 -0.968 16.7-150.9-148.1 163.3 12.0 20.9 29.0 76 76 A S E - F 0 227A 16 151,-1.9 151,-2.4 -2,-0.3 2,-0.4 -0.968 6.5-150.3-136.8 152.1 14.4 23.6 30.3 77 77 A L E - F 0 226A 7 88,-0.5 90,-3.4 91,-0.4 2,-0.4 -0.980 15.3-178.2-124.4 135.7 14.1 27.4 30.2 78 78 A K E + F 0 225A 78 147,-0.8 147,-2.9 -2,-0.4 3,-0.1 -0.998 5.9 166.6-138.4 139.4 17.2 29.7 30.0 79 79 A S - 0 0 13 -2,-0.4 145,-0.1 145,-0.2 5,-0.1 -0.985 40.3-131.3-153.6 140.1 17.5 33.5 30.0 80 80 A P S S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.789 100.2 33.7 -58.4 -29.5 20.3 36.1 30.5 81 81 A L S S- 0 0 59 142,-0.3 -2,-0.2 -3,-0.1 3,-0.1 -0.082 89.9-110.9-105.6-153.5 18.0 37.9 32.9 82 82 A S S S+ 0 0 98 1,-0.1 2,-1.3 -2,-0.1 84,-0.0 0.612 97.5 73.9-120.4 -24.6 15.4 36.7 35.4 83 83 A N S S+ 0 0 90 49,-0.0 -1,-0.1 2,-0.0 140,-0.1 -0.264 70.0 174.0 -85.4 53.0 12.0 37.9 34.0 84 84 A G - 0 0 1 -2,-1.3 2,-0.3 -3,-0.1 140,-0.2 -0.285 21.0-115.9 -60.3 145.5 12.1 35.2 31.4 85 85 A A - 0 0 0 135,-0.1 139,-0.3 47,-0.1 2,-0.1 -0.957 44.7 -15.8-147.5 163.3 8.9 35.0 29.3 86 86 A D - 0 0 6 -2,-0.3 45,-1.2 137,-0.2 46,-0.8 -0.958 67.5-124.8-108.8 -21.3 6.5 33.8 28.2 87 87 A G E -TU 130 218B 0 131,-0.9 131,-1.3 43,-0.2 2,-0.3 -0.760 11.7 -98.5 141.5 172.6 6.2 30.0 28.6 88 88 A I E -TU 129 217B 2 41,-1.5 41,-2.6 -2,-0.2 2,-0.3 -0.923 28.8-166.7-128.3 151.8 5.7 26.7 27.0 89 89 A A E -TU 128 216B 0 127,-2.6 127,-2.3 -2,-0.3 2,-0.5 -1.000 20.5-141.7-145.4 143.3 2.6 24.5 26.6 90 90 A F E -TU 127 215B 3 37,-2.2 37,-2.6 -2,-0.3 2,-0.3 -0.857 39.7-177.6 -93.8 131.7 1.7 21.0 25.7 91 91 A F E -TU 126 214B 2 123,-2.6 123,-2.1 -2,-0.5 2,-0.4 -0.948 30.3-154.0-139.4 161.3 -1.5 21.1 23.6 92 92 A I E +TU 125 213B 6 33,-2.5 33,-1.9 -2,-0.3 121,-0.2 -0.998 34.1 147.9-127.8 130.0 -4.2 19.1 21.8 93 93 A A E - 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