==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 12-APR-07 2PHW . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PTEROCARPUS ANGOLENSIS; . AUTHOR A.GARCIA-PINO,L.BUTS,L.WYNS,A.IMBERTY,R.LORIS . 480 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 67.1 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 . 45 9.4 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 0.000 360.0 360.0 360.0 144.5 -5.6 3.2 14.7 2 2 A D + 0 0 20 246,-1.9 235,-2.3 249,-0.2 2,-0.4 0.761 360.0 33.1 -74.4 -27.7 -7.3 2.5 18.0 3 3 A S E +AB 236 248A 40 245,-1.3 245,-1.9 233,-0.2 2,-0.3 -0.979 65.4 172.3-133.0 146.7 -3.8 2.8 19.7 4 4 A L E +AB 235 247A 8 231,-2.2 231,-2.4 -2,-0.4 2,-0.3 -0.984 2.0 169.2-151.2 136.9 -0.8 4.9 18.9 5 5 A S E +AB 234 246A 29 241,-2.4 241,-2.4 -2,-0.3 2,-0.3 -0.996 1.5 171.8-149.5 149.7 2.5 5.5 20.7 6 6 A F E -AB 233 245A 5 227,-2.3 227,-2.8 -2,-0.3 2,-0.4 -0.986 13.0-153.9-154.1 152.8 5.8 7.2 19.9 7 7 A G E -AB 232 244A 7 237,-2.1 236,-1.6 -2,-0.3 237,-1.5 -0.988 10.8-174.2-140.1 131.2 8.9 8.1 21.8 8 8 A F E +A 231 0A 3 223,-3.3 223,-2.4 -2,-0.4 3,-0.1 -0.885 5.6 175.8-118.5 92.7 11.6 10.7 21.3 9 9 A P S S- 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.842 81.6 -8.1 -64.7 -31.5 14.4 10.2 23.9 10 10 A T S S- 0 0 56 -3,-0.1 20,-0.2 221,-0.1 233,-0.2 -0.880 77.0-111.9-149.7 175.9 16.2 13.0 22.1 11 11 A F - 0 0 0 18,-2.7 18,-0.2 -2,-0.3 16,-0.1 -0.709 29.1-166.0-123.6 81.8 15.6 15.0 18.8 12 12 A P - 0 0 20 0, 0.0 14,-0.0 0, 0.0 15,-0.0 -0.214 34.8-110.6 -60.7 156.5 18.2 14.3 16.1 13 13 A S S S+ 0 0 97 1,-0.2 2,-1.7 13,-0.0 13,-0.1 0.778 102.5 83.3 -59.9 -29.0 18.3 16.7 13.2 14 14 A D + 0 0 56 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.560 63.2 162.5 -80.2 80.6 17.0 14.1 10.8 15 15 A Q + 0 0 29 -2,-1.7 -2,-0.0 1,-0.1 11,-0.0 -0.845 18.9 163.0-106.5 140.0 13.2 14.4 11.5 16 16 A K S S+ 0 0 87 -2,-0.4 -1,-0.1 280,-0.1 281,-0.0 0.628 72.8 49.1-122.7 -27.2 10.5 13.1 9.2 17 17 A N S S+ 0 0 2 279,-0.1 36,-3.0 278,-0.1 2,-0.4 0.146 87.2 95.9-106.3 19.7 7.3 13.0 11.4 18 18 A L E -R 52 0B 18 34,-0.2 2,-0.7 35,-0.1 34,-0.2 -0.906 59.8-147.0-113.4 138.6 7.3 16.5 12.9 19 19 A I E -R 51 0B 55 32,-3.0 32,-1.5 -2,-0.4 2,-0.4 -0.911 18.9-156.3-101.0 115.1 5.4 19.5 11.6 20 20 A F E -R 50 0B 77 -2,-0.7 2,-0.3 30,-0.2 30,-0.2 -0.798 13.4-178.3 -94.8 132.3 7.4 22.6 12.4 21 21 A Q E > -R 49 0B 31 28,-2.8 28,-2.2 -2,-0.4 3,-1.4 -0.961 50.9 -12.6-129.3 148.1 5.6 25.9 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 -0.401 125.6 -21.3 67.4-137.5 6.9 29.4 13.3 23 23 A D T 3 S+ 0 0 62 24,-3.5 -1,-0.2 10,-0.2 25,-0.2 0.409 94.2 132.9 -89.6 2.3 10.5 29.6 14.5 24 24 A A < + 0 0 9 -3,-1.4 2,-0.3 23,-0.2 9,-0.2 -0.272 25.9 152.7 -59.0 133.9 10.7 26.0 15.8 25 25 A Q E -C 32 0A 93 7,-1.9 7,-3.1 9,-0.1 2,-0.4 -0.990 44.8-102.4-158.5 158.4 13.8 24.1 14.8 26 26 A I E +C 31 0A 26 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.710 42.1 162.9 -87.6 133.9 16.1 21.3 15.9 27 27 A K E > -C 30 0A 45 3,-2.6 3,-1.1 -2,-0.4 -16,-0.1 -0.952 64.8 -4.1-152.2 128.3 19.5 22.3 17.4 28 28 A N T 3 S- 0 0 74 -2,-0.3 3,-0.1 1,-0.2 -17,-0.1 0.909 126.7 -56.5 55.1 48.0 21.8 20.2 19.5 29 29 A N T 3 S+ 0 0 87 -18,-0.2 -18,-2.7 1,-0.2 2,-0.3 0.672 121.8 90.2 60.4 20.0 19.5 17.2 19.7 30 30 A A E < S-C 27 0A 10 -3,-1.1 -3,-2.6 -20,-0.2 2,-0.6 -0.927 81.4-107.5-138.8 162.7 16.7 19.2 21.1 31 31 A V E -CD 26 228A 0 197,-2.5 197,-2.7 -2,-0.3 2,-0.9 -0.842 23.3-158.5 -95.2 119.9 13.8 21.2 19.8 32 32 A Q E -CD 25 227A 24 -7,-3.1 -7,-1.9 -2,-0.6 195,-0.2 -0.865 8.4-174.0 -96.2 103.3 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 0.874 68.1 47.4 -67.6 -36.7 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 -0.814 98.8 -92.1-109.2 149.5 11.7 29.9 20.1 35 35 A K - 0 0 56 -2,-0.3 8,-1.4 184,-0.1 2,-0.3 -0.144 38.8-173.0 -58.6 145.2 14.4 31.6 18.0 36 36 A T B -X 42 0C 30 6,-0.2 -1,-0.0 -4,-0.1 -4,-0.0 -0.927 19.4-120.1-134.5 157.8 17.9 32.0 19.2 37 37 A D - 0 0 70 4,-2.5 3,-0.5 -2,-0.3 -1,-0.1 -0.062 43.4 -82.1 -86.0-166.8 20.9 33.9 17.8 38 38 A S S S+ 0 0 134 1,-0.2 -1,-0.0 2,-0.1 -2,-0.0 0.885 130.7 53.1 -65.1 -41.4 24.3 32.6 16.6 39 39 A N S S- 0 0 81 2,-0.1 -1,-0.2 1,-0.1 0, 0.0 0.679 121.3-111.2 -68.2 -16.3 25.7 32.6 20.2 40 40 A G S S+ 0 0 36 -3,-0.5 -2,-0.1 1,-0.3 -1,-0.1 0.553 70.6 141.4 96.5 10.0 22.6 30.5 21.1 41 41 A N - 0 0 81 1,-0.1 -4,-2.5 183,-0.0 -1,-0.3 -0.582 55.3-102.7 -87.5 148.2 21.0 33.2 23.2 42 42 A P B -X 36 0C 12 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.295 34.3-154.3 -67.0 151.0 17.2 33.8 23.2 43 43 A V - 0 0 40 -8,-1.4 181,-0.3 181,-0.2 3,-0.2 -0.872 17.5-105.2-125.7 158.8 15.7 36.7 21.2 44 44 A A S S+ 0 0 42 -2,-0.3 177,-0.2 1,-0.2 176,-0.2 -0.268 89.7 31.8 -78.3 167.3 12.5 38.7 21.6 45 45 A S S S+ 0 0 102 175,-2.5 2,-0.3 177,-0.2 175,-0.2 0.932 81.9 135.0 51.4 65.2 9.3 38.5 19.5 46 46 A T E - S 0 219B 3 173,-2.0 173,-2.3 -3,-0.2 2,-0.3 -0.995 30.0-176.4-143.2 145.3 9.4 34.8 18.5 47 47 A V E + S 0 218B 24 -2,-0.3 -24,-3.5 171,-0.2 2,-0.3 -0.995 10.3 166.6-139.7 141.8 6.8 32.0 18.3 48 48 A G E +RS 22 217B 0 169,-2.1 169,-1.8 -2,-0.3 2,-0.3 -0.981 5.7 176.6-157.4 145.4 7.3 28.3 17.4 49 49 A R E -RS 21 216B 1 -28,-2.2 -28,-2.8 -2,-0.3 2,-0.3 -0.961 11.1-157.6-145.4 159.9 5.4 25.1 17.6 50 50 A I E -RS 20 215B 0 165,-2.1 165,-2.1 -2,-0.3 2,-0.3 -0.985 7.6-170.9-138.1 148.5 5.7 21.5 16.6 51 51 A L E -RS 19 214B 2 -32,-1.5 -32,-3.0 -2,-0.3 2,-0.3 -0.986 30.2-113.0-137.1 145.2 3.1 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 -0.615 28.7-132.9 -76.0 141.3 3.4 15.1 15.5 53 53 A S S S+ 0 0 27 -36,-3.0 2,-0.2 -2,-0.3 -1,-0.1 0.866 81.0 81.5 -66.4 -39.8 2.3 14.3 11.9 54 54 A A S S- 0 0 0 -37,-0.3 159,-0.3 1,-0.1 2,-0.2 -0.477 82.8-122.8 -71.2 136.5 0.1 11.3 12.7 55 55 A Q - 0 0 31 -2,-0.2 2,-0.4 157,-0.1 157,-0.2 -0.547 19.6-134.2 -79.7 144.0 -3.4 12.2 13.8 56 56 A V E -Y 211 0D 4 155,-3.1 155,-2.5 -2,-0.2 2,-1.2 -0.849 7.7-135.6-101.6 132.2 -4.7 10.8 17.2 57 57 A H E +Y 210 0D 14 -2,-0.4 153,-0.2 -56,-0.4 3,-0.1 -0.731 29.7 173.8 -89.3 96.3 -8.1 9.3 17.5 58 58 A L - 0 0 3 151,-1.9 9,-3.5 -2,-1.2 2,-0.3 0.816 62.8 -5.1 -73.7 -37.0 -9.3 10.9 20.7 59 59 A W E -E 66 0A 40 150,-1.3 2,-0.5 7,-0.3 7,-0.2 -0.987 57.7-142.5-158.1 155.3 -12.8 9.6 20.7 60 60 A E E >> -E 65 0A 16 5,-2.7 5,-1.4 -2,-0.3 4,-1.4 -0.955 2.1-164.3-128.5 112.6 -15.2 7.7 18.5 61 61 A K T 45S+ 0 0 106 -2,-0.5 -1,-0.1 1,-0.2 3,-0.0 0.890 89.1 55.4 -59.7 -43.7 -18.9 8.6 18.3 62 62 A S T 45S+ 0 0 106 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.899 119.4 30.0 -59.3 -45.1 -19.9 5.3 16.7 63 63 A S T 45S- 0 0 47 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.536 102.2-127.3 -92.9 -8.4 -18.4 3.0 19.4 64 64 A S T <5 + 0 0 77 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.831 60.4 144.8 65.5 32.2 -18.9 5.6 22.2 65 65 A R E < -E 60 0A 46 -5,-1.4 -5,-2.7 175,-0.0 2,-0.4 -0.731 34.3-164.4-103.9 153.4 -15.2 5.2 23.1 66 66 A V E -EF 59 238A 12 172,-2.1 172,-1.9 -2,-0.3 -7,-0.3 -0.996 22.7-119.2-135.0 138.4 -12.8 7.8 24.4 67 67 A A E - F 0 237A 0 -9,-3.5 2,-0.3 -2,-0.4 170,-0.3 -0.457 10.8-145.5 -81.5 148.6 -9.1 7.5 24.5 68 68 A N E - F 0 236A 48 168,-2.3 168,-1.6 -2,-0.2 2,-0.3 -0.676 28.0-173.4 -97.0 159.8 -6.9 7.6 27.5 69 69 A F E -GF 176 235A 5 107,-1.6 107,-2.5 -2,-0.3 2,-0.4 -0.990 19.7-162.3-156.1 155.9 -3.5 9.2 26.8 70 70 A Q E -GF 175 234A 74 164,-2.2 164,-2.0 -2,-0.3 2,-0.5 -0.990 5.4-172.9-141.4 129.7 -0.2 9.9 28.5 71 71 A S E -GF 174 233A 0 103,-2.9 103,-2.9 -2,-0.4 2,-0.4 -0.991 3.5-175.2-127.0 123.1 2.4 12.4 27.5 72 72 A Q E +GF 173 232A 82 160,-2.6 160,-2.9 -2,-0.5 2,-0.3 -0.972 18.3 149.1-119.6 131.6 5.7 12.5 29.2 73 73 A F E -GF 172 231A 1 99,-2.3 99,-3.3 -2,-0.4 2,-0.3 -0.990 30.3-146.6-157.3 162.0 8.3 15.2 28.4 74 74 A S E +GF 171 230A 15 156,-1.5 155,-2.5 -2,-0.3 156,-1.2 -0.981 20.1 168.5-133.8 145.3 11.1 17.3 29.7 75 75 A F E -GF 170 228A 3 95,-1.4 95,-2.7 -2,-0.3 2,-0.3 -0.967 16.8-150.8-149.8 163.8 12.1 20.9 28.9 76 76 A S E - F 0 227A 16 151,-2.0 151,-2.5 -2,-0.3 2,-0.4 -0.982 5.8-150.9-139.5 149.9 14.4 23.6 30.2 77 77 A L E - F 0 226A 6 88,-0.4 90,-3.5 91,-0.4 2,-0.4 -0.968 15.3-178.3-122.0 136.8 14.2 27.4 30.1 78 78 A K E + F 0 225A 53 147,-0.7 147,-2.7 -2,-0.4 3,-0.1 -0.999 6.9 162.2-138.9 138.5 17.3 29.6 30.0 79 79 A S - 0 0 10 -2,-0.4 5,-0.1 145,-0.2 145,-0.1 -0.983 42.8-137.7-158.3 142.8 17.6 33.4 30.0 80 80 A P S S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 144,-0.1 0.757 94.4 69.4 -67.4 -24.1 20.2 36.2 30.7 81 81 A L S S- 0 0 62 142,-0.3 3,-0.2 1,-0.1 -2,-0.2 -0.252 80.7-134.6 -87.0 176.4 17.3 38.0 32.4 82 82 A S S S+ 0 0 92 1,-0.2 2,-0.1 -2,-0.1 -1,-0.1 0.444 101.7 60.1-108.3 -9.0 15.5 37.2 35.6 83 83 A N S S+ 0 0 103 140,-0.1 -1,-0.2 2,-0.0 140,-0.1 -0.430 75.6 178.2-115.4 54.0 12.1 37.8 34.0 84 84 A G - 0 0 1 -3,-0.2 2,-0.3 138,-0.1 140,-0.2 -0.276 23.1-118.3 -58.9 144.5 12.2 35.2 31.3 85 85 A A - 0 0 0 135,-0.1 139,-0.3 47,-0.1 2,-0.1 -0.948 46.1 -11.3-144.5 161.7 9.0 35.0 29.2 86 86 A D - 0 0 7 -2,-0.3 45,-1.2 137,-0.2 46,-0.8 -0.959 67.4-125.0-109.7 -22.4 6.6 33.7 28.0 87 87 A G E -TU 130 218B 0 131,-0.9 131,-1.4 43,-0.2 2,-0.3 -0.721 11.7 -99.4 140.8 170.2 6.3 30.0 28.5 88 88 A I E -TU 129 217B 1 41,-1.3 41,-2.4 -2,-0.2 2,-0.4 -0.897 29.2-166.0-124.8 152.7 5.8 26.6 26.9 89 89 A A E -TU 128 216B 0 127,-2.6 127,-2.3 -2,-0.3 2,-0.5 -1.000 20.3-141.6-145.9 142.2 2.7 24.5 26.5 90 90 A F E -TU 127 215B 3 37,-2.2 37,-2.6 -2,-0.4 2,-0.3 -0.845 39.9-178.0 -92.3 133.2 1.7 21.0 25.6 91 91 A F E -TU 126 214B 1 123,-2.6 123,-2.2 -2,-0.5 2,-0.4 -0.961 30.6-154.4-141.0 160.8 -1.4 21.2 23.5 92 92 A I E +TU 125 213B 5 33,-2.5 33,-1.9 -2,-0.3 121,-0.2 -0.999 33.9 148.3-128.6 129.2 -4.1 19.1 21.7 93 93 A A E - 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