==== 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 10-APR-06 2GND . 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) . 18416.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 68.8 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 . 211 44.0 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 . 1 0.2 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 . 50 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 8.3 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 6 2 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 9 0, 0.0 56,-0.3 0, 0.0 248,-0.2 0.000 360.0 360.0 360.0 148.3 -5.6 2.9 14.8 2 2 A D + 0 0 18 246,-2.1 235,-2.2 249,-0.2 2,-0.3 0.802 360.0 30.7 -73.4 -31.0 -7.2 2.2 18.2 3 3 A S E +AB 236 248A 37 245,-1.1 245,-1.8 233,-0.2 2,-0.3 -0.963 64.5 177.9-132.2 149.8 -3.8 2.7 19.9 4 4 A L E +AB 235 247A 6 231,-2.2 231,-2.6 -2,-0.3 2,-0.3 -0.986 1.9 173.3-151.7 137.3 -0.7 4.7 19.1 5 5 A S E +AB 234 246A 35 241,-2.7 241,-2.8 -2,-0.3 2,-0.3 -0.994 2.0 168.2-145.0 146.5 2.7 5.2 20.8 6 6 A F E -AB 233 245A 5 227,-2.1 227,-2.5 -2,-0.3 2,-0.4 -0.974 13.6-157.1-156.7 145.8 5.9 7.1 20.0 7 7 A G E -AB 232 244A 8 237,-2.1 236,-1.9 -2,-0.3 237,-1.1 -0.986 11.4-172.5-137.0 129.7 9.0 8.0 21.9 8 8 A F E +A 231 0A 3 223,-3.4 223,-2.3 -2,-0.4 3,-0.1 -0.861 7.0 174.8-115.0 91.0 11.6 10.6 21.5 9 9 A P S S- 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.891 81.1 -7.5 -62.5 -34.8 14.3 10.0 24.0 10 10 A T S S- 0 0 55 -3,-0.1 20,-0.2 221,-0.1 233,-0.1 -0.858 77.0-110.9-146.0 177.7 16.2 12.9 22.3 11 11 A F - 0 0 0 18,-2.2 18,-0.2 -2,-0.3 19,-0.2 -0.716 28.5-169.1-123.9 83.0 15.6 14.9 19.1 12 12 A P - 0 0 21 0, 0.0 14,-0.0 0, 0.0 15,-0.0 -0.304 35.6-115.1 -64.3 154.2 18.2 14.3 16.3 13 13 A S S S+ 0 0 107 1,-0.2 2,-1.4 13,-0.1 13,-0.1 0.579 100.2 88.6 -69.0 -7.4 18.1 16.8 13.5 14 14 A D + 0 0 55 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.592 61.1 157.9 -90.9 73.5 16.9 14.0 11.2 15 15 A Q + 0 0 29 -2,-1.4 11,-0.0 1,-0.1 -2,-0.0 -0.823 21.4 162.1-105.4 141.0 13.2 14.3 11.7 16 16 A K S S+ 0 0 102 -2,-0.4 -1,-0.1 280,-0.1 281,-0.0 0.582 75.0 50.2-123.4 -24.9 10.4 13.0 9.4 17 17 A N S S+ 0 0 3 279,-0.1 36,-3.2 278,-0.1 2,-0.4 0.214 86.8 95.5-105.7 15.8 7.3 12.9 11.6 18 18 A L E -R 52 0B 16 34,-0.2 2,-0.7 35,-0.1 34,-0.2 -0.904 59.8-147.7-111.3 134.7 7.3 16.4 13.2 19 19 A I E -R 51 0B 54 32,-3.5 32,-1.5 -2,-0.4 2,-0.5 -0.887 18.3-158.1 -98.1 114.7 5.4 19.4 11.9 20 20 A F E -R 50 0B 80 -2,-0.7 2,-0.4 30,-0.2 30,-0.2 -0.818 12.0-177.8 -96.2 130.9 7.4 22.5 12.7 21 21 A Q E > -R 49 0B 30 28,-3.0 28,-2.3 -2,-0.5 3,-1.3 -0.966 51.8 -13.8-128.5 145.6 5.5 25.8 12.8 22 22 A G E 3 S-R 48 0B 57 -2,-0.4 26,-0.3 1,-0.2 12,-0.1 -0.453 126.0 -19.5 70.0-132.4 6.9 29.3 13.5 23 23 A D T 3 S+ 0 0 61 24,-3.0 -1,-0.2 10,-0.3 25,-0.2 0.324 94.7 130.6 -95.8 8.5 10.5 29.4 14.8 24 24 A A < + 0 0 10 -3,-1.3 2,-0.3 25,-0.2 9,-0.2 -0.366 26.7 148.9 -66.3 137.7 10.7 25.9 16.1 25 25 A Q E -C 32 0A 100 7,-1.4 7,-3.3 9,-0.1 2,-0.3 -0.986 46.8 -95.5-162.3 162.0 13.8 23.8 15.1 26 26 A I E +C 31 0A 24 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.672 43.1 163.1 -85.7 135.2 16.1 21.1 16.2 27 27 A K E > -C 30 0A 31 3,-3.0 3,-0.6 -2,-0.3 -16,-0.1 -0.910 66.3 -6.0-154.9 122.4 19.4 22.1 17.8 28 28 A N T 3 S- 0 0 150 -2,-0.3 -17,-0.1 1,-0.2 3,-0.1 0.910 126.8 -56.9 60.0 45.2 21.8 20.0 19.9 29 29 A N T 3 S+ 0 0 90 -18,-0.2 -18,-2.2 1,-0.2 2,-0.3 0.776 122.7 93.4 58.0 29.0 19.4 17.0 19.9 30 30 A A E < S-C 27 0A 10 -3,-0.6 -3,-3.0 -20,-0.2 2,-0.6 -0.960 80.1-109.6-144.4 158.0 16.6 19.1 21.4 31 31 A V E -CD 26 228A 0 197,-2.6 197,-2.5 -2,-0.3 2,-1.1 -0.833 21.2-156.5 -95.8 117.6 13.8 21.1 20.1 32 32 A Q E -CD 25 227A 19 -7,-3.3 -7,-1.4 -2,-0.6 195,-0.2 -0.799 10.7-176.1 -91.9 98.6 14.2 24.9 20.4 33 33 A L + 0 0 0 193,-2.0 2,-0.3 -2,-1.1 -10,-0.3 0.887 68.2 46.9 -63.0 -40.5 10.6 26.1 20.3 34 34 A T S S- 0 0 2 192,-0.3 192,-0.2 -3,-0.1 -9,-0.1 -0.758 99.2 -92.5-105.1 153.4 11.5 29.8 20.4 35 35 A K - 0 0 61 -2,-0.3 8,-1.5 184,-0.1 2,-0.3 -0.247 38.8-171.8 -64.8 143.5 14.2 31.5 18.3 36 36 A T B -X 42 0C 32 6,-0.2 5,-0.0 -4,-0.1 -4,-0.0 -0.934 19.9-115.1-132.7 155.3 17.8 31.9 19.5 37 37 A D > - 0 0 64 4,-3.0 3,-1.9 -2,-0.3 -1,-0.1 -0.084 45.0 -78.3 -81.9-174.0 20.7 33.9 18.2 38 38 A S T 3 S+ 0 0 136 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.889 131.9 44.6 -49.7 -51.5 24.1 32.8 16.8 39 39 A N T 3 S- 0 0 96 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.362 125.4-100.5 -79.6 5.2 25.6 32.2 20.2 40 40 A G S < S+ 0 0 37 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.586 72.8 144.3 89.5 10.9 22.5 30.4 21.3 41 41 A N - 0 0 76 1,-0.1 -4,-3.0 -5,-0.0 -1,-0.3 -0.627 52.8-106.2 -88.0 143.0 20.8 33.2 23.3 42 42 A P B -X 36 0C 11 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.241 34.7-156.2 -62.4 149.8 17.0 33.7 23.4 43 43 A V - 0 0 41 -8,-1.5 181,-0.3 181,-0.2 3,-0.2 -0.851 16.6-104.4-126.3 163.0 15.5 36.6 21.5 44 44 A A S S+ 0 0 42 -2,-0.3 177,-0.2 1,-0.2 176,-0.2 -0.289 89.9 31.8 -81.9 170.1 12.3 38.6 21.8 45 45 A S S S+ 0 0 104 175,-2.4 2,-0.3 177,-0.2 175,-0.2 0.939 82.9 135.3 47.5 67.2 9.2 38.4 19.7 46 46 A T E - S 0 219B 3 173,-2.1 173,-2.2 -3,-0.2 2,-0.3 -0.999 30.3-176.9-144.5 143.0 9.3 34.7 18.7 47 47 A V E + S 0 218B 23 -2,-0.3 -24,-3.0 171,-0.2 2,-0.3 -0.996 8.9 170.3-138.6 141.8 6.7 31.9 18.6 48 48 A G E +RS 22 217B 0 169,-2.3 169,-2.1 -2,-0.3 2,-0.3 -0.995 4.9 175.8-153.1 148.5 7.2 28.2 17.7 49 49 A R E -RS 21 216B 2 -28,-2.3 -28,-3.0 -2,-0.3 2,-0.3 -0.985 10.7-159.4-150.0 155.0 5.3 24.9 17.8 50 50 A I E -RS 20 215B 0 165,-1.9 165,-1.7 -2,-0.3 2,-0.3 -0.976 7.3-171.7-135.2 149.4 5.7 21.3 16.8 51 51 A L E -RS 19 214B 2 -32,-1.5 -32,-3.5 -2,-0.3 2,-0.3 -0.989 30.2-114.2-139.2 143.4 3.0 18.6 16.2 52 52 A F E -R 18 0B 0 161,-2.2 161,-0.2 -2,-0.3 -34,-0.2 -0.642 27.6-133.7 -77.3 136.8 3.4 14.9 15.6 53 53 A S S S+ 0 0 26 -36,-3.2 -1,-0.1 -2,-0.3 -35,-0.1 0.913 81.5 83.2 -58.8 -47.7 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 -0.361 82.9-123.7 -63.4 133.0 0.1 11.1 12.8 55 55 A Q - 0 0 31 157,-0.1 2,-0.4 -2,-0.1 157,-0.2 -0.521 19.5-133.2 -78.3 144.1 -3.4 12.0 14.0 56 56 A V E -Y 211 0D 4 155,-3.0 155,-2.6 -2,-0.2 2,-1.3 -0.839 6.9-136.1-101.8 132.8 -4.6 10.7 17.3 57 57 A H E +Y 210 0D 9 -2,-0.4 153,-0.2 -56,-0.3 3,-0.1 -0.713 30.0 172.4 -89.6 92.9 -8.0 9.1 17.7 58 58 A L - 0 0 3 151,-1.6 9,-3.5 -2,-1.3 2,-0.3 0.835 64.0 -4.5 -70.2 -39.4 -9.1 10.8 20.9 59 59 A W E -E 66 0A 40 150,-1.4 2,-0.5 7,-0.3 7,-0.2 -0.984 57.4-143.5-157.1 151.8 -12.7 9.4 20.8 60 60 A E E >> -E 65 0A 10 5,-2.7 5,-1.7 -2,-0.3 4,-0.9 -0.963 5.7-162.7-123.4 112.9 -15.0 7.4 18.6 61 61 A K T 45S+ 0 0 101 -2,-0.5 3,-0.5 3,-0.2 -1,-0.2 0.918 87.6 51.7 -59.7 -49.5 -18.6 8.4 18.4 62 62 A S T 45S+ 0 0 112 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.926 117.8 36.5 -56.8 -48.9 -20.0 5.1 16.9 63 63 A S T 45S- 0 0 46 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.560 103.6-129.2 -82.4 -7.5 -18.3 2.8 19.4 64 64 A S T <5 + 0 0 73 -4,-0.9 176,-0.4 -3,-0.5 2,-0.3 0.851 59.3 145.8 61.7 35.1 -18.9 5.3 22.3 65 65 A R E < -E 60 0A 48 -5,-1.7 -5,-2.7 174,-0.1 2,-0.4 -0.797 35.3-162.3-108.0 149.2 -15.2 5.0 23.2 66 66 A V E -EF 59 238A 14 172,-2.2 172,-2.1 -2,-0.3 -7,-0.3 -0.985 22.6-119.0-128.6 138.2 -12.8 7.6 24.6 67 67 A A E - F 0 237A 0 -9,-3.5 2,-0.4 -2,-0.4 170,-0.3 -0.433 12.7-146.5 -77.9 147.9 -9.1 7.3 24.6 68 68 A N E - F 0 236A 57 168,-2.3 168,-2.1 -2,-0.1 2,-0.3 -0.898 29.3-173.7-105.7 140.7 -7.0 7.3 27.7 69 69 A F E -GF 176 235A 5 107,-1.4 107,-2.8 -2,-0.4 2,-0.4 -0.975 22.7-165.0-142.1 159.5 -3.6 9.0 27.1 70 70 A Q E -GF 175 234A 78 164,-2.0 164,-1.6 -2,-0.3 2,-0.5 -0.976 4.2-171.5-144.2 124.3 -0.3 9.8 28.7 71 71 A S E -GF 174 233A 0 103,-3.1 103,-2.9 -2,-0.4 2,-0.4 -0.976 5.8-175.3-120.5 119.9 2.3 12.3 27.7 72 72 A Q E +GF 173 232A 105 160,-2.5 160,-3.0 -2,-0.5 2,-0.3 -0.958 19.4 141.2-114.6 130.4 5.7 12.3 29.3 73 73 A F E -GF 172 231A 3 99,-2.0 99,-3.2 -2,-0.4 2,-0.3 -0.983 32.7-143.3-160.2 165.6 8.2 15.0 28.5 74 74 A S E +GF 171 230A 14 156,-1.4 155,-2.4 -2,-0.3 156,-1.1 -0.993 19.0 172.5-139.1 145.9 10.9 17.2 30.0 75 75 A F E -GF 170 228A 3 95,-1.4 95,-3.1 -2,-0.3 2,-0.3 -0.934 15.3-151.3-145.1 167.7 12.0 20.7 29.2 76 76 A S E - F 0 227A 15 151,-1.6 151,-2.1 -2,-0.3 2,-0.4 -0.985 7.2-149.4-142.0 149.6 14.3 23.5 30.5 77 77 A L E - F 0 226A 6 88,-0.5 90,-3.8 91,-0.4 91,-0.4 -0.966 15.8-178.7-122.3 136.2 14.1 27.3 30.4 78 78 A K E + F 0 225A 33 147,-0.9 147,-2.8 -2,-0.4 3,-0.1 -0.998 6.2 164.4-138.4 139.9 17.1 29.5 30.3 79 79 A S - 0 0 13 -2,-0.4 145,-0.1 145,-0.2 5,-0.1 -0.968 39.8-139.3-157.6 138.8 17.5 33.3 30.2 80 80 A P S S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 144,-0.1 0.799 95.7 64.7 -64.1 -29.0 20.2 35.9 30.8 81 81 A L S S- 0 0 64 142,-0.3 -2,-0.2 1,-0.1 3,-0.1 0.376 87.2-126.7 -71.2-150.9 17.5 38.0 32.5 82 82 A S S S+ 0 0 85 1,-0.0 2,-0.9 84,-0.0 -1,-0.1 0.507 99.0 50.0-130.7 -44.9 15.7 36.9 35.7 83 83 A N S S- 0 0 86 49,-0.0 140,-0.1 2,-0.0 2,-0.1 -0.659 79.0-177.0-102.1 75.5 12.0 37.2 34.7 84 84 A G - 0 0 0 -2,-0.9 2,-0.3 138,-0.1 140,-0.2 -0.360 19.1-100.1 -72.9 153.3 12.0 35.2 31.4 85 85 A A - 0 0 0 -2,-0.1 139,-0.3 135,-0.1 2,-0.1 -0.906 52.7 -18.3-138.3 164.2 8.8 34.9 29.3 86 86 A D - 0 0 5 -2,-0.3 45,-1.2 137,-0.2 46,-0.9 -0.961 67.1-125.2-112.3 -16.4 6.5 33.6 28.3 87 87 A G E -TU 130 218B 0 131,-0.9 131,-1.3 43,-0.2 2,-0.3 -0.718 13.8 -94.2 137.0 171.9 6.3 29.9 28.8 88 88 A I E -TU 129 217B 1 41,-1.3 41,-2.3 -2,-0.2 2,-0.4 -0.926 31.8-165.4-124.8 148.8 5.8 26.5 27.1 89 89 A A E -TU 128 216B 0 127,-2.9 127,-2.3 -2,-0.3 2,-0.5 -0.997 18.6-143.5-142.5 141.5 2.6 24.5 26.7 90 90 A F E +TU 127 215B 4 37,-2.4 37,-2.7 -2,-0.4 2,-0.3 -0.850 37.7 178.1 -94.5 130.1 1.6 21.0 25.8 91 91 A F E -TU 126 214B 1 123,-2.6 123,-1.9 -2,-0.5 2,-0.4 -0.944 31.5-154.1-140.4 163.3 -1.6 21.0 23.7 92 92 A I E +TU 125 213B 5 33,-2.3 33,-1.8 -2,-0.3 121,-0.2 -0.993 34.1 148.4-129.1 132.9 -4.1 18.9 21.9 93 93 A A E - 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