==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 11-APR-06 2GNT . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PTEROCARPUS ANGOLENSIS; . AUTHOR A.GARCIA-PINO,L.BUTS,L.WYNS,R.LORIS . 480 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 66.7 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 . 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 . 43 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 7.9 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 X 0 0 10 0, 0.0 56,-0.4 0, 0.0 248,-0.2 0.000 360.0 360.0 360.0 146.3 -5.8 3.2 14.8 2 2 A D + 0 0 19 246,-1.7 235,-2.2 249,-0.2 2,-0.4 0.779 360.0 31.6 -72.4 -29.5 -7.3 2.4 18.2 3 3 A S E +AB 236 248A 38 245,-1.3 245,-1.9 233,-0.2 2,-0.3 -0.984 65.4 176.1-133.7 144.7 -3.9 2.8 19.8 4 4 A L E +AB 235 247A 7 231,-2.0 231,-2.2 -2,-0.4 2,-0.3 -0.995 2.4 173.3-146.4 141.7 -0.8 4.9 19.0 5 5 A S E +AB 234 246A 24 241,-2.4 241,-2.5 -2,-0.3 2,-0.3 -0.995 2.8 165.9-151.7 144.6 2.5 5.4 20.7 6 6 A F E -AB 233 245A 6 227,-2.1 227,-2.6 -2,-0.3 2,-0.4 -0.985 13.0-159.4-156.4 150.8 5.8 7.2 20.0 7 7 A G E -AB 232 244A 8 237,-1.8 236,-1.4 -2,-0.3 237,-1.2 -0.979 10.2-170.0-143.5 130.0 8.9 8.2 21.9 8 8 A F E +A 231 0A 3 223,-3.7 223,-2.1 -2,-0.4 3,-0.1 -0.883 5.9 177.6-114.4 94.2 11.6 10.8 21.4 9 9 A P S S- 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.871 81.1 -7.8 -63.0 -33.5 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 -0.852 77.1-111.0-146.7 178.8 16.2 13.1 22.2 11 11 A F - 0 0 0 18,-2.2 18,-0.2 -2,-0.3 16,-0.1 -0.732 28.9-167.2-125.7 83.9 15.7 15.1 19.0 12 12 A P - 0 0 20 0, 0.0 14,-0.0 0, 0.0 15,-0.0 -0.239 34.5-112.5 -62.9 158.0 18.2 14.5 16.2 13 13 A S S S+ 0 0 107 1,-0.2 2,-1.6 13,-0.1 13,-0.1 0.730 101.3 83.0 -66.6 -22.0 18.3 16.9 13.3 14 14 A D + 0 0 57 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.601 63.6 163.4 -86.0 82.0 17.0 14.3 10.9 15 15 A Q + 0 0 29 -2,-1.6 -2,-0.0 1,-0.1 11,-0.0 -0.819 20.0 165.0-104.9 141.3 13.2 14.5 11.6 16 16 A K S S+ 0 0 102 -2,-0.4 -1,-0.1 280,-0.1 281,-0.0 0.622 73.4 48.4-122.4 -27.0 10.5 13.2 9.3 17 17 A N S S+ 0 0 3 279,-0.1 36,-2.7 278,-0.1 2,-0.4 0.103 87.2 96.5-107.5 22.3 7.3 13.1 11.4 18 18 A L E -R 52 0B 17 34,-0.2 2,-0.6 35,-0.1 34,-0.2 -0.927 59.0-147.3-116.0 137.1 7.2 16.6 13.0 19 19 A I E -R 51 0B 55 32,-2.9 32,-1.5 -2,-0.4 2,-0.4 -0.906 18.2-156.1-100.8 117.3 5.4 19.6 11.7 20 20 A F E -R 50 0B 82 -2,-0.6 2,-0.3 30,-0.2 30,-0.2 -0.815 13.2-178.8 -97.4 132.4 7.3 22.8 12.5 21 21 A Q E > -R 49 0B 32 28,-2.7 28,-2.3 -2,-0.4 3,-1.3 -0.969 52.0 -12.5-130.0 146.2 5.5 26.1 12.7 22 22 A G E 3 S-R 48 0B 57 -2,-0.3 26,-0.3 26,-0.2 12,-0.1 -0.455 125.0 -22.1 69.8-134.6 6.8 29.6 13.4 23 23 A D T 3 S+ 0 0 64 24,-2.9 -1,-0.2 10,-0.3 25,-0.2 0.339 94.2 132.0 -95.0 7.1 10.4 29.8 14.6 24 24 A A < + 0 0 9 -3,-1.3 2,-0.3 25,-0.2 9,-0.2 -0.326 26.3 153.0 -64.8 137.2 10.7 26.2 16.0 25 25 A Q E -C 32 0A 95 7,-1.8 7,-3.1 9,-0.1 2,-0.4 -0.993 45.0-100.9-159.8 159.9 13.7 24.2 15.0 26 26 A I E +C 31 0A 27 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.682 44.3 160.0 -85.5 135.8 16.1 21.4 16.0 27 27 A K E > -C 30 0A 52 3,-2.6 3,-0.7 -2,-0.4 -2,-0.1 -0.893 64.2 -2.2-160.0 123.6 19.4 22.4 17.5 28 28 A N T 3 S- 0 0 145 -2,-0.3 3,-0.1 1,-0.2 -17,-0.1 0.894 126.0 -58.4 61.5 43.8 21.8 20.4 19.7 29 29 A N T 3 S+ 0 0 92 -18,-0.2 -18,-2.2 1,-0.2 2,-0.3 0.709 122.2 89.4 60.5 23.1 19.5 17.3 19.8 30 30 A A E < S-C 27 0A 10 -3,-0.7 -3,-2.6 -20,-0.2 2,-0.6 -0.927 81.9-107.5-141.3 162.6 16.7 19.3 21.4 31 31 A V E -CD 26 228A 0 197,-2.7 197,-2.7 -2,-0.3 2,-0.9 -0.863 22.7-157.5 -98.1 119.2 13.8 21.4 20.0 32 32 A Q E -CD 25 227A 21 -7,-3.1 -7,-1.8 -2,-0.6 195,-0.2 -0.842 9.4-175.0 -94.9 102.0 14.2 25.1 20.3 33 33 A L + 0 0 0 193,-2.1 2,-0.3 -2,-0.9 -10,-0.3 0.863 68.3 47.2 -66.5 -38.1 10.6 26.4 20.2 34 34 A T S S- 0 0 1 192,-0.3 192,-0.2 -3,-0.1 -9,-0.1 -0.824 99.8 -91.4-108.6 148.2 11.6 30.1 20.3 35 35 A K - 0 0 58 -2,-0.3 8,-1.3 184,-0.1 2,-0.3 -0.114 39.9-172.3 -56.0 146.1 14.3 31.7 18.1 36 36 A T B -X 42 0C 20 6,-0.2 -1,-0.0 -4,-0.1 -4,-0.0 -0.947 19.7-116.9-136.5 155.9 17.9 32.1 19.4 37 37 A D > - 0 0 69 4,-2.8 3,-0.9 -2,-0.3 -1,-0.0 -0.085 43.9 -81.1 -83.4-171.6 20.8 34.0 17.9 38 38 A S T 3 S+ 0 0 138 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.882 129.3 47.6 -57.9 -44.9 24.2 32.7 16.6 39 39 A N T 3 S- 0 0 88 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.558 123.5-101.8 -76.4 -9.0 25.8 32.3 20.1 40 40 A G S < S+ 0 0 36 -3,-0.9 -2,-0.1 1,-0.3 185,-0.1 0.579 74.0 140.0 100.5 11.0 22.7 30.5 21.4 41 41 A N - 0 0 81 1,-0.1 -4,-2.8 183,-0.0 -1,-0.3 -0.665 54.6-105.9 -92.1 144.9 21.0 33.4 23.3 42 42 A P B -X 36 0C 12 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.273 33.4-154.8 -64.7 149.3 17.2 34.0 23.3 43 43 A V - 0 0 40 -8,-1.3 181,-0.3 181,-0.2 3,-0.2 -0.829 17.5-102.1-124.1 163.2 15.7 36.9 21.4 44 44 A A S S+ 0 0 44 -2,-0.3 177,-0.2 1,-0.2 176,-0.2 -0.319 89.3 28.2 -82.0 166.3 12.5 38.9 21.7 45 45 A S S S+ 0 0 101 175,-2.6 2,-0.3 177,-0.2 175,-0.2 0.936 81.8 138.2 49.2 67.5 9.3 38.7 19.7 46 46 A T E - S 0 219B 3 173,-2.0 173,-2.4 -3,-0.2 2,-0.3 -0.997 29.0-176.5-142.1 143.4 9.3 35.0 18.7 47 47 A V E + S 0 218B 24 -2,-0.3 -24,-2.9 171,-0.2 2,-0.3 -0.998 11.0 165.5-138.8 140.0 6.7 32.2 18.5 48 48 A G E +RS 22 217B 0 169,-2.2 169,-1.9 -2,-0.3 2,-0.3 -0.993 7.3 177.8-155.7 150.0 7.2 28.6 17.6 49 49 A R E -RS 21 216B 1 -28,-2.3 -28,-2.7 -2,-0.3 2,-0.3 -0.974 10.7-157.1-149.0 159.4 5.3 25.2 17.8 50 50 A I E -RS 20 215B 0 165,-1.9 165,-1.8 -2,-0.3 2,-0.3 -0.979 9.0-172.2-137.2 149.3 5.7 21.6 16.8 51 51 A L E -RS 19 214B 3 -32,-1.5 -32,-2.9 -2,-0.3 2,-0.3 -0.987 30.2-112.0-140.1 147.3 3.1 18.9 16.2 52 52 A F E -R 18 0B 0 161,-2.2 161,-0.3 -2,-0.3 -34,-0.2 -0.632 27.7-134.8 -78.1 140.3 3.3 15.1 15.6 53 53 A S S S+ 0 0 28 -36,-2.7 2,-0.2 -2,-0.3 -1,-0.1 0.896 81.1 80.3 -64.7 -44.0 2.3 14.4 12.0 54 54 A A S S- 0 0 0 -37,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.443 83.6-122.7 -68.3 135.9 0.0 11.3 12.7 55 55 A Q - 0 0 31 -2,-0.2 2,-0.5 157,-0.1 157,-0.2 -0.532 19.0-132.7 -80.1 145.0 -3.5 12.2 13.9 56 56 A V E -Y 211 0D 4 155,-3.1 155,-2.5 -2,-0.2 2,-1.3 -0.846 7.4-136.2-101.9 130.7 -4.7 10.9 17.3 57 57 A H E +Y 210 0D 12 -2,-0.5 153,-0.2 -56,-0.4 3,-0.1 -0.707 29.4 174.1 -86.7 94.4 -8.1 9.3 17.6 58 58 A L - 0 0 4 151,-1.7 9,-3.1 -2,-1.3 2,-0.3 0.837 62.6 -6.6 -71.0 -39.3 -9.2 11.0 20.9 59 59 A W E -E 66 0A 42 150,-1.3 2,-0.5 7,-0.2 7,-0.2 -0.988 57.6-141.1-156.4 158.9 -12.8 9.6 20.9 60 60 A E E >> -E 65 0A 14 5,-2.6 5,-1.4 -2,-0.3 4,-1.2 -0.961 2.1-163.8-130.6 114.5 -15.2 7.6 18.7 61 61 A K T 45S+ 0 0 80 -2,-0.5 -1,-0.1 3,-0.2 3,-0.1 0.903 88.2 55.5 -61.2 -45.5 -18.9 8.5 18.5 62 62 A S T 45S+ 0 0 108 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.920 119.9 28.9 -56.2 -50.4 -20.0 5.2 16.9 63 63 A S T 45S- 0 0 49 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.522 102.7-127.5 -89.7 -7.3 -18.5 2.9 19.6 64 64 A S T <5 + 0 0 70 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.861 58.3 147.5 63.3 36.5 -18.9 5.5 22.4 65 65 A R E < -E 60 0A 44 -5,-1.4 -5,-2.6 174,-0.1 2,-0.4 -0.754 32.7-162.2-105.1 152.8 -15.2 5.1 23.3 66 66 A V E -EF 59 238A 11 172,-1.9 172,-2.4 -2,-0.3 -7,-0.2 -0.986 24.6-110.9-131.9 142.4 -12.9 7.8 24.7 67 67 A A E - F 0 237A 0 -9,-3.1 2,-0.5 -2,-0.4 170,-0.3 -0.457 12.1-147.9 -79.9 143.5 -9.1 7.6 24.8 68 68 A N E + F 0 236A 57 168,-2.4 168,-2.0 -2,-0.2 2,-0.3 -0.933 33.3 179.5-101.3 124.5 -6.9 7.2 27.8 69 69 A F E -GF 176 235A 6 107,-1.2 107,-2.5 -2,-0.5 2,-0.3 -0.927 22.5-166.6-134.0 160.7 -3.7 9.1 27.1 70 70 A Q E -GF 175 234A 88 164,-2.2 164,-2.0 -2,-0.3 2,-0.4 -0.996 1.6-170.9-143.8 135.3 -0.3 9.9 28.7 71 71 A S E -GF 174 233A 0 103,-2.9 103,-2.6 -2,-0.3 2,-0.4 -0.984 5.0-174.5-131.9 119.9 2.3 12.4 27.7 72 72 A Q E +GF 173 232A 37 160,-2.4 160,-2.6 -2,-0.4 2,-0.3 -0.953 18.6 149.5-115.8 132.5 5.7 12.6 29.4 73 73 A F E -GF 172 231A 1 99,-2.3 99,-3.2 -2,-0.4 2,-0.3 -0.984 30.6-144.7-157.0 165.4 8.2 15.3 28.6 74 74 A S E +GF 171 230A 10 156,-1.6 155,-2.4 -2,-0.3 156,-1.2 -0.988 20.3 167.3-136.0 144.3 11.1 17.4 29.9 75 75 A F E -GF 170 228A 3 95,-1.3 95,-3.0 -2,-0.3 2,-0.3 -0.966 16.8-152.0-150.6 163.4 12.1 21.0 29.1 76 76 A S E - F 0 227A 17 151,-1.7 151,-2.2 -2,-0.3 2,-0.4 -0.987 7.1-149.3-140.2 148.1 14.4 23.7 30.4 77 77 A L E - F 0 226A 6 88,-0.5 90,-3.4 91,-0.4 2,-0.4 -0.961 15.5-178.4-120.6 135.9 14.2 27.5 30.3 78 78 A K E + F 0 225A 35 147,-0.8 147,-2.9 -2,-0.4 3,-0.1 -0.998 6.4 164.1-137.9 137.9 17.2 29.8 30.2 79 79 A S - 0 0 11 -2,-0.4 5,-0.1 145,-0.2 145,-0.1 -0.975 40.1-139.2-155.6 137.9 17.5 33.6 30.2 80 80 A P S S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 144,-0.1 0.772 96.9 60.3 -63.5 -25.8 20.3 36.2 30.8 81 81 A L S S- 0 0 73 142,-0.3 -2,-0.2 1,-0.1 3,-0.1 0.096 84.1-130.8 -83.4-160.8 17.5 38.2 32.6 82 82 A S S S+ 0 0 82 84,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.376 98.9 65.7-130.8 -14.3 15.6 37.1 35.7 83 83 A N S S+ 0 0 98 140,-0.1 140,-0.1 2,-0.0 48,-0.0 -0.431 73.6 176.2-107.5 53.1 12.2 38.0 34.2 84 84 A G - 0 0 1 -2,-0.3 2,-0.3 138,-0.1 140,-0.2 -0.311 21.7-117.3 -61.8 143.1 12.1 35.4 31.4 85 85 A A - 0 0 0 135,-0.1 139,-0.3 2,-0.1 2,-0.1 -0.934 45.4 -13.1-143.2 163.5 8.9 35.2 29.4 86 86 A D - 0 0 6 -2,-0.3 45,-1.3 137,-0.2 46,-0.9 -0.950 68.3-122.1-109.6 -22.1 6.5 34.0 28.3 87 87 A G E -TU 130 218B 0 131,-0.9 131,-1.3 43,-0.2 2,-0.3 -0.753 11.2 -99.7 143.2 170.2 6.2 30.3 28.8 88 88 A I E -TU 129 217B 2 41,-1.4 41,-2.3 -2,-0.2 2,-0.3 -0.913 29.2-167.2-126.1 151.8 5.8 26.9 27.1 89 89 A A E -TU 128 216B 0 127,-2.7 127,-2.4 -2,-0.3 2,-0.4 -0.997 20.8-142.9-147.1 141.6 2.7 24.7 26.7 90 90 A F E -TU 127 215B 3 37,-2.1 37,-2.5 -2,-0.3 2,-0.3 -0.831 39.4-178.7 -92.6 133.1 1.7 21.2 25.7 91 91 A F E -TU 126 214B 1 123,-2.6 123,-2.0 -2,-0.4 2,-0.4 -0.950 30.7-152.5-141.3 162.7 -1.5 21.3 23.7 92 92 A I E +TU 125 213B 7 33,-2.4 33,-1.8 -2,-0.3 121,-0.2 -0.999 34.1 147.7-129.3 128.9 -4.2 19.3 21.9 93 93 A A E - 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