==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 29-OCT-02 1N3P . COMPND 2 MOLECULE: LECTIN PAL; . SOURCE 2 ORGANISM_SCIENTIFIC: PTEROCARPUS ANGOLENSIS; . AUTHOR R.LORIS,A.IMBERTY,S.BEECKMANS,E.VAN DRIESSCHE,J.S.READ, . 482 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 67.8 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 . 212 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 . 48 10.0 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 6 2 0 0 0 0 0 2 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 7 0, 0.0 56,-0.4 0, 0.0 249,-0.2 0.000 360.0 360.0 360.0 147.9 -5.6 2.7 14.8 2 2 A D + 0 0 19 247,-1.9 235,-1.8 250,-0.2 2,-0.4 0.803 360.0 35.0 -75.9 -32.1 -7.2 2.1 18.2 3 3 A S E +AB 236 249A 40 246,-1.2 246,-1.9 233,-0.2 2,-0.3 -0.959 65.4 170.2-127.4 145.5 -3.8 2.4 19.9 4 4 A L E +AB 235 248A 5 231,-2.2 231,-2.4 -2,-0.4 2,-0.3 -0.985 0.9 167.2-152.0 138.7 -0.8 4.5 19.2 5 5 A S E +AB 234 247A 26 242,-2.3 242,-2.1 -2,-0.3 2,-0.3 -0.991 2.2 171.9-153.5 146.6 2.4 5.3 20.9 6 6 A F E -AB 233 246A 5 227,-2.2 227,-2.8 -2,-0.3 2,-0.4 -0.972 13.2-152.6-149.9 158.3 5.8 6.9 20.1 7 7 A G E -AB 232 245A 7 238,-1.8 237,-1.6 -2,-0.3 238,-1.2 -0.983 11.6-171.1-144.9 132.3 8.8 7.9 22.0 8 8 A F E +A 231 0A 3 223,-3.6 223,-2.2 -2,-0.4 3,-0.1 -0.861 6.7 175.7-117.9 91.2 11.6 10.6 21.6 9 9 A P S S- 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.881 82.3 -8.4 -61.8 -33.7 14.3 9.9 24.2 10 10 A T S S- 0 0 53 -3,-0.1 20,-0.2 221,-0.1 234,-0.2 -0.855 76.7-110.4-147.3 179.1 16.1 12.8 22.4 11 11 A F - 0 0 0 18,-1.9 18,-0.3 -2,-0.3 19,-0.2 -0.703 29.8-167.5-125.2 81.6 15.5 14.8 19.2 12 12 A P - 0 0 18 0, 0.0 14,-0.0 0, 0.0 15,-0.0 -0.211 34.8-109.9 -61.1 157.5 18.1 14.1 16.5 13 13 A S S S+ 0 0 106 1,-0.2 2,-1.7 13,-0.0 13,-0.2 0.756 102.1 78.5 -65.2 -26.6 18.2 16.6 13.6 14 14 A D + 0 0 51 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.522 64.2 165.9 -87.0 76.1 16.7 14.1 11.0 15 15 A Q + 0 0 25 -2,-1.7 -2,-0.0 1,-0.1 -4,-0.0 -0.672 17.6 167.7 -91.0 144.4 13.0 14.3 11.9 16 16 A K S S+ 0 0 93 -2,-0.3 -1,-0.1 281,-0.1 281,-0.1 0.582 73.7 48.0-125.6 -25.5 10.4 12.9 9.6 17 17 A N S S+ 0 0 2 280,-0.1 36,-3.2 279,-0.1 2,-0.4 0.183 87.5 95.8-108.5 18.5 7.2 12.8 11.7 18 18 A L E -R 52 0B 15 34,-0.2 2,-0.7 35,-0.1 34,-0.2 -0.904 60.5-146.4-111.5 136.3 7.2 16.3 13.3 19 19 A I E -R 51 0B 54 32,-3.2 32,-1.2 -2,-0.4 2,-0.5 -0.901 18.3-154.9 -99.4 116.6 5.3 19.2 11.9 20 20 A F E -R 50 0B 82 -2,-0.7 2,-0.4 30,-0.2 30,-0.2 -0.816 14.5-179.6 -95.8 127.3 7.2 22.4 12.7 21 21 A Q E > -R 49 0B 30 28,-3.2 28,-2.5 -2,-0.5 3,-1.3 -0.946 52.4 -13.1-125.0 147.3 5.3 25.7 12.9 22 22 A G E 3 S-R 48 0B 54 -2,-0.4 26,-0.3 26,-0.2 12,-0.1 -0.377 125.1 -21.6 67.1-140.6 6.7 29.1 13.6 23 23 A D T 3 S+ 0 0 62 24,-3.1 -1,-0.2 10,-0.2 25,-0.2 0.316 94.2 131.9 -89.3 8.2 10.3 29.3 14.8 24 24 A A < + 0 0 9 -3,-1.3 2,-0.3 25,-0.2 9,-0.2 -0.353 26.0 150.3 -64.0 137.8 10.5 25.8 16.2 25 25 A Q E -C 32 0A 92 7,-1.7 7,-2.7 9,-0.1 2,-0.3 -0.982 46.3 -98.0-163.3 157.4 13.6 23.8 15.1 26 26 A I E +C 31 0A 28 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.649 42.6 163.3 -84.0 134.6 16.0 21.1 16.3 27 27 A K E > -C 30 0A 58 3,-2.6 3,-0.5 -2,-0.3 -16,-0.1 -0.912 66.1 -6.4-153.6 121.8 19.3 22.1 17.9 28 28 A N T 3 S- 0 0 147 -2,-0.3 3,-0.1 1,-0.2 -17,-0.1 0.891 125.9 -56.8 60.7 44.5 21.6 20.0 20.0 29 29 A N T 3 S+ 0 0 88 -18,-0.3 -18,-1.9 1,-0.2 2,-0.3 0.758 121.5 91.7 59.9 29.2 19.2 17.0 20.1 30 30 A A E < S-C 27 0A 10 -3,-0.5 -3,-2.6 -19,-0.2 2,-0.7 -0.957 80.5-109.2-145.6 158.6 16.4 19.0 21.6 31 31 A V E -CD 26 228A 0 197,-2.8 197,-2.8 -2,-0.3 2,-1.0 -0.841 21.6-157.5 -96.8 116.3 13.6 21.0 20.2 32 32 A Q E -CD 25 227A 23 -7,-2.7 -7,-1.7 -2,-0.7 195,-0.2 -0.823 9.4-174.7 -90.7 102.4 14.0 24.8 20.6 33 33 A L + 0 0 0 193,-2.2 2,-0.3 -2,-1.0 -10,-0.2 0.859 68.8 48.3 -67.0 -35.4 10.4 25.9 20.4 34 34 A T S S- 0 0 1 192,-0.3 192,-0.2 -3,-0.1 -9,-0.1 -0.831 98.6 -93.8-110.6 148.0 11.4 29.6 20.4 35 35 A K - 0 0 60 -2,-0.3 8,-1.2 184,-0.1 2,-0.3 -0.124 37.9-171.7 -57.0 147.2 14.0 31.3 18.3 36 36 A T B -X 42 0C 15 6,-0.2 -4,-0.0 -4,-0.1 -1,-0.0 -0.996 21.9-118.0-141.3 141.4 17.6 31.8 19.6 37 37 A D > - 0 0 52 4,-2.6 3,-1.1 -2,-0.3 6,-0.0 0.071 45.5 -85.7 -66.1-173.4 20.5 33.8 18.1 38 38 A S T 3 S+ 0 0 125 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.811 129.4 60.2 -66.1 -31.0 23.8 32.2 17.0 39 39 A N T 3 S- 0 0 137 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.646 120.1-111.4 -71.1 -14.5 25.1 32.4 20.5 40 40 A G S < S+ 0 0 38 -3,-1.1 -2,-0.1 1,-0.3 -1,-0.1 0.579 72.8 138.7 93.1 12.1 22.2 30.2 21.5 41 41 A N - 0 0 72 1,-0.1 -4,-2.6 38,-0.0 -1,-0.3 -0.659 56.6-105.1 -92.6 146.6 20.5 32.9 23.5 42 42 A P B -X 36 0C 10 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.263 33.3-156.7 -66.3 153.6 16.8 33.6 23.5 43 43 A V - 0 0 40 -8,-1.2 181,-0.3 181,-0.2 3,-0.1 -0.860 18.3-102.8-128.4 163.8 15.3 36.5 21.6 44 44 A A S S+ 0 0 44 -2,-0.3 177,-0.2 1,-0.2 176,-0.2 -0.294 89.0 30.5 -83.8 170.1 12.1 38.5 21.9 45 45 A S S S+ 0 0 108 175,-2.7 2,-0.3 177,-0.2 175,-0.2 0.951 82.9 134.8 45.8 75.8 8.9 38.3 19.8 46 46 A T E - S 0 219B 5 173,-2.0 173,-2.2 -3,-0.1 2,-0.3 -0.995 31.4-174.6-151.9 143.2 9.0 34.6 18.8 47 47 A V E + S 0 218B 23 -2,-0.3 -24,-3.1 171,-0.2 2,-0.3 -0.998 10.1 168.6-139.7 141.4 6.5 31.8 18.6 48 48 A G E +RS 22 217B 0 169,-1.9 169,-1.7 -2,-0.3 2,-0.3 -0.990 5.1 178.1-154.8 145.3 7.1 28.1 17.7 49 49 A R E -RS 21 216B 1 -28,-2.5 -28,-3.2 -2,-0.3 2,-0.3 -0.980 10.4-159.1-146.2 155.9 5.2 24.8 17.8 50 50 A I E -RS 20 215B 0 165,-1.9 165,-1.8 -2,-0.3 2,-0.3 -0.951 7.8-172.9-132.4 153.6 5.6 21.2 16.9 51 51 A L E -RS 19 214B 2 -32,-1.2 -32,-3.2 -2,-0.3 2,-0.3 -0.990 31.4-113.4-144.4 142.0 2.9 18.5 16.3 52 52 A F E -R 18 0B 0 161,-2.3 161,-0.3 -2,-0.3 -34,-0.2 -0.642 28.7-134.1 -76.1 135.4 3.4 14.8 15.7 53 53 A S S S+ 0 0 28 -36,-3.2 2,-0.2 -2,-0.3 -1,-0.1 0.870 81.5 82.2 -59.3 -42.8 2.2 14.0 12.1 54 54 A A S S- 0 0 0 -37,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.471 83.3-123.6 -69.8 132.2 0.1 11.0 12.9 55 55 A Q - 0 0 30 -2,-0.2 2,-0.5 157,-0.1 157,-0.2 -0.497 18.5-133.0 -77.1 143.2 -3.4 11.8 14.1 56 56 A V E -Y 211 0D 3 155,-3.3 155,-2.5 -2,-0.2 2,-1.4 -0.841 9.0-134.2-100.6 129.9 -4.6 10.5 17.4 57 57 A H E +Y 210 0D 9 -2,-0.5 153,-0.2 -56,-0.4 3,-0.1 -0.681 30.7 174.3 -83.4 94.7 -8.0 8.9 17.6 58 58 A L - 0 0 4 151,-1.8 9,-3.3 -2,-1.4 2,-0.3 0.863 62.9 -9.5 -71.0 -40.9 -9.2 10.6 20.8 59 59 A W E -E 66 0A 42 150,-1.4 2,-0.5 7,-0.2 7,-0.2 -0.982 58.1-138.4-155.8 160.0 -12.7 9.2 20.8 60 60 A E E >> -E 65 0A 11 5,-2.5 4,-1.3 -2,-0.3 5,-1.2 -0.967 4.4-159.4-129.9 114.2 -15.1 7.3 18.5 61 61 A K T 45S+ 0 0 149 -2,-0.5 3,-0.5 2,-0.2 -1,-0.2 0.951 90.4 47.9 -54.1 -58.5 -18.7 8.3 18.2 62 62 A S T 45S+ 0 0 105 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.932 119.0 36.2 -50.6 -59.4 -20.0 4.9 16.9 63 63 A S T 45S- 0 0 27 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.601 100.9-131.5 -73.8 -12.3 -18.3 2.6 19.4 64 64 A S T <5 + 0 0 70 -4,-1.3 176,-0.7 -3,-0.5 2,-0.3 0.862 57.1 144.7 62.7 36.1 -18.8 5.1 22.3 65 65 A R E < -EF 60 239A 23 -5,-1.2 -5,-2.5 174,-0.2 2,-0.4 -0.800 33.9-163.0-107.2 150.5 -15.1 4.7 23.2 66 66 A V E -EF 59 238A 8 172,-2.2 172,-1.9 -2,-0.3 -7,-0.2 -0.984 24.6-112.1-131.0 141.5 -12.8 7.3 24.6 67 67 A A E - F 0 237A 1 -9,-3.3 2,-0.6 -2,-0.4 170,-0.3 -0.462 11.9-147.8 -80.4 144.0 -9.1 7.2 24.7 68 68 A N E - F 0 236A 56 168,-2.5 168,-2.0 -2,-0.2 2,-0.3 -0.940 32.9-179.0-101.7 124.2 -7.0 6.9 27.8 69 69 A F E -GF 176 235A 6 107,-1.1 107,-2.5 -2,-0.6 2,-0.4 -0.924 22.3-164.2-131.9 159.4 -3.7 8.7 27.1 70 70 A Q E -GF 175 234A 80 164,-2.4 164,-1.7 -2,-0.3 2,-0.5 -0.996 3.3-171.3-140.7 131.2 -0.4 9.5 28.8 71 71 A S E -GF 174 233A 0 103,-3.2 103,-3.1 -2,-0.4 2,-0.4 -0.987 5.6-176.5-126.9 122.0 2.1 12.1 27.7 72 72 A Q E +GF 173 232A 95 160,-2.6 160,-2.7 -2,-0.5 2,-0.3 -0.966 17.4 144.9-119.8 135.1 5.5 12.3 29.4 73 73 A F E -GF 172 231A 4 99,-2.2 99,-3.6 -2,-0.4 2,-0.3 -0.983 31.8-142.9-160.4 166.3 8.1 14.9 28.6 74 74 A S E +GF 171 230A 9 156,-1.4 155,-2.5 -2,-0.3 156,-1.2 -0.995 20.0 171.2-138.7 142.5 10.8 17.1 30.0 75 75 A F E -GF 170 228A 3 95,-1.5 95,-3.0 -2,-0.3 2,-0.3 -0.950 16.2-150.6-145.1 164.7 11.8 20.7 29.2 76 76 A S E - F 0 227A 15 151,-1.7 151,-2.3 -2,-0.3 2,-0.4 -0.983 6.2-150.7-138.7 147.5 14.1 23.4 30.5 77 77 A L E + F 0 226A 6 88,-0.4 90,-3.2 91,-0.4 2,-0.4 -0.976 16.6 179.9-121.0 132.4 13.9 27.1 30.4 78 78 A K E + F 0 225A 34 147,-0.8 147,-3.0 -2,-0.4 4,-0.1 -0.998 5.5 168.1-137.4 135.9 16.9 29.4 30.3 79 79 A S - 0 0 8 -2,-0.4 5,-0.1 145,-0.2 145,-0.1 -0.983 36.1-138.0-149.1 135.1 17.3 33.1 30.2 80 80 A P S S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 144,-0.1 0.809 100.4 43.1 -59.1 -32.2 20.2 35.5 30.7 81 81 A L S S- 0 0 97 142,-0.2 -2,-0.2 -3,-0.1 143,-0.0 0.598 93.5-119.8 -82.8-123.0 17.9 37.8 32.7 82 82 A S S S+ 0 0 88 -4,-0.1 2,-0.5 142,-0.0 84,-0.1 0.309 92.6 80.1-161.5 -19.1 15.5 36.4 35.3 83 83 A N - 0 0 100 140,-0.0 48,-0.0 2,-0.0 140,-0.0 -0.282 68.2-178.9 -94.0 46.5 12.1 37.5 34.1 84 84 A G - 0 0 1 -2,-0.5 2,-0.3 -5,-0.1 140,-0.2 -0.154 17.7-123.2 -51.1 137.3 11.8 34.7 31.5 85 85 A A - 0 0 0 135,-0.1 139,-0.3 2,-0.1 2,-0.1 -0.954 44.1 -14.4-146.1 160.4 8.7 34.7 29.4 86 86 A D S S- 0 0 6 -2,-0.3 45,-1.4 137,-0.2 46,-0.9 -0.959 70.6-122.7-108.5 -19.7 6.3 33.5 28.3 87 87 A G E -TU 130 218B 0 131,-0.9 131,-1.4 43,-0.2 2,-0.3 -0.703 11.2 -98.3 140.2 168.1 6.0 29.8 28.8 88 88 A I E -TU 129 217B 2 41,-1.3 41,-2.4 -2,-0.2 2,-0.4 -0.899 30.0-165.6-122.8 150.7 5.6 26.4 27.1 89 89 A A E -TU 128 216B 0 127,-2.9 127,-2.2 -2,-0.3 2,-0.5 -0.997 20.2-142.5-144.3 140.5 2.5 24.3 26.7 90 90 A F E -TU 127 215B 3 37,-2.3 37,-2.8 -2,-0.4 2,-0.3 -0.837 39.4-178.9 -91.0 130.6 1.5 20.7 25.8 91 91 A F E -TU 126 214B 1 123,-2.3 123,-2.2 -2,-0.5 2,-0.4 -0.955 30.1-155.0-139.8 160.6 -1.6 20.9 23.8 92 92 A I E +TU 125 213B 6 33,-2.7 33,-2.0 -2,-0.3 121,-0.2 -0.999 33.9 145.7-129.7 127.2 -4.2 18.8 21.9 93 93 A A E - 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