==== 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 1N3O . 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) . 18920.0 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 . 211 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 . 46 9.5 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 7 1 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 8 0, 0.0 56,-0.4 0, 0.0 249,-0.2 0.000 360.0 360.0 360.0 148.8 -5.7 3.0 14.7 2 2 A D + 0 0 17 247,-2.0 235,-2.0 250,-0.2 2,-0.4 0.799 360.0 33.1 -73.8 -31.4 -7.2 2.3 18.1 3 3 A S E +AB 236 249A 40 246,-1.3 246,-2.0 233,-0.2 2,-0.3 -0.969 64.8 173.9-130.5 145.7 -3.8 2.6 19.7 4 4 A L E +AB 235 248A 6 231,-2.0 231,-2.4 -2,-0.4 2,-0.3 -0.992 3.3 171.3-148.5 141.4 -0.8 4.8 18.9 5 5 A S E +AB 234 247A 33 242,-2.5 242,-2.3 -2,-0.3 2,-0.3 -0.993 1.7 166.8-153.4 146.2 2.5 5.3 20.6 6 6 A F E -AB 233 246A 2 227,-2.4 227,-2.8 -2,-0.3 2,-0.4 -0.983 13.5-156.6-156.9 154.9 5.8 7.0 19.9 7 7 A G E -AB 232 245A 8 238,-1.8 237,-1.6 -2,-0.3 238,-1.2 -0.980 10.5-170.6-145.3 130.7 8.9 8.1 21.8 8 8 A F E +A 231 0A 3 223,-3.8 223,-2.3 -2,-0.4 3,-0.1 -0.909 6.4 176.8-115.7 96.0 11.6 10.7 21.3 9 9 A P S S- 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.892 81.8 -9.0 -64.6 -36.4 14.4 10.1 23.8 10 10 A T S S- 0 0 52 -3,-0.1 20,-0.2 220,-0.1 234,-0.2 -0.850 77.7-110.1-145.8 176.0 16.2 12.9 22.1 11 11 A F - 0 0 0 18,-2.6 18,-0.3 -2,-0.3 19,-0.1 -0.757 31.2-163.9-121.2 84.3 15.6 14.9 18.9 12 12 A P - 0 0 18 0, 0.0 14,-0.0 0, 0.0 15,-0.0 -0.205 33.9-105.7 -61.1 159.2 18.2 14.1 16.2 13 13 A S S S+ 0 0 107 1,-0.2 2,-1.4 13,-0.0 13,-0.2 0.807 104.2 72.0 -57.9 -37.8 18.5 16.5 13.2 14 14 A D + 0 0 54 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.639 65.0 169.1 -88.5 89.7 16.8 14.3 10.6 15 15 A Q + 0 0 29 -2,-1.4 11,-0.0 1,-0.1 -4,-0.0 -0.782 16.1 170.1 -99.9 143.2 13.1 14.3 11.6 16 16 A K S S+ 0 0 105 -2,-0.3 -1,-0.1 281,-0.1 282,-0.1 0.624 73.8 47.3-121.1 -28.2 10.4 13.0 9.3 17 17 A N S S+ 0 0 3 280,-0.1 36,-3.0 279,-0.1 2,-0.4 0.117 87.5 97.6-107.2 21.7 7.2 12.9 11.4 18 18 A L E -R 52 0B 16 34,-0.2 2,-0.7 35,-0.1 34,-0.2 -0.924 59.4-147.1-114.5 135.0 7.2 16.4 12.9 19 19 A I E -R 51 0B 56 32,-3.1 32,-1.4 -2,-0.4 2,-0.5 -0.890 18.3-156.8 -98.1 115.3 5.3 19.4 11.7 20 20 A F E -R 50 0B 78 -2,-0.7 2,-0.4 30,-0.2 30,-0.2 -0.835 13.2-178.0 -96.3 127.0 7.4 22.5 12.4 21 21 A Q E > -R 49 0B 30 28,-3.1 28,-2.5 -2,-0.5 3,-1.3 -0.945 51.1 -13.8-124.6 146.2 5.5 25.8 12.7 22 22 A G E 3 S-R 48 0B 57 -2,-0.4 26,-0.3 26,-0.2 12,-0.1 -0.442 125.8 -20.1 69.7-135.3 6.8 29.3 13.3 23 23 A D T 3 S+ 0 0 59 24,-2.8 -1,-0.2 10,-0.2 25,-0.2 0.323 95.1 131.7 -93.0 7.6 10.4 29.5 14.5 24 24 A A < + 0 0 9 -3,-1.3 2,-0.3 25,-0.2 9,-0.2 -0.357 25.8 150.6 -66.2 135.7 10.6 25.9 15.8 25 25 A Q E -C 32 0A 93 7,-1.8 7,-3.2 9,-0.1 2,-0.4 -0.990 46.2 -96.6-160.8 158.9 13.7 23.9 14.8 26 26 A I E +C 31 0A 29 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.648 41.0 169.6 -82.8 130.4 16.0 21.1 16.0 27 27 A K E > -C 30 0A 59 3,-3.2 3,-1.0 -2,-0.4 -16,-0.1 -0.955 64.5 -15.8-145.4 122.6 19.3 22.2 17.6 28 28 A N T 3 S- 0 0 160 -2,-0.3 3,-0.1 1,-0.2 -17,-0.1 0.916 126.5 -49.5 50.8 53.8 21.8 19.9 19.4 29 29 A N T 3 S+ 0 0 92 -18,-0.3 -18,-2.6 1,-0.2 2,-0.3 0.634 123.9 88.1 65.4 16.4 19.4 17.0 19.8 30 30 A A E < S-C 27 0A 10 -3,-1.0 -3,-3.2 -20,-0.2 2,-0.6 -0.965 79.9-110.1-141.4 157.0 16.6 19.1 21.2 31 31 A V E -CD 26 228A 0 197,-2.5 197,-2.7 -2,-0.3 2,-0.9 -0.792 21.5-156.5 -91.7 121.6 13.7 21.1 19.8 32 32 A Q E -CD 25 227A 22 -7,-3.2 -7,-1.8 -2,-0.6 195,-0.2 -0.857 9.5-174.7 -96.1 102.0 14.1 24.9 20.2 33 33 A L + 0 0 0 193,-2.3 2,-0.3 -2,-0.9 -10,-0.2 0.882 68.6 48.5 -65.6 -38.3 10.5 26.1 20.1 34 34 A T S S- 0 0 1 192,-0.4 192,-0.2 -3,-0.1 -9,-0.1 -0.800 98.2 -94.2-107.8 148.4 11.5 29.7 20.1 35 35 A K - 0 0 60 -2,-0.3 8,-1.3 184,-0.1 2,-0.3 -0.161 38.0-170.9 -58.9 144.2 14.2 31.5 18.0 36 36 A T B -X 42 0C 13 6,-0.2 -4,-0.0 -4,-0.1 -1,-0.0 -0.970 20.6-116.8-134.8 150.0 17.7 31.9 19.2 37 37 A D > - 0 0 54 4,-2.5 3,-0.9 -2,-0.3 -1,-0.1 -0.016 45.4 -82.5 -75.2-173.1 20.6 33.9 17.8 38 38 A S T 3 S+ 0 0 124 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.785 130.9 54.6 -61.6 -29.6 23.9 32.6 16.5 39 39 A N T 3 S- 0 0 126 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.694 119.5-110.0 -78.1 -20.7 25.3 32.5 20.0 40 40 A G S < S+ 0 0 40 -3,-0.9 -2,-0.1 1,-0.3 185,-0.1 0.548 72.5 138.1 100.8 11.0 22.4 30.3 21.2 41 41 A N - 0 0 77 1,-0.1 -4,-2.5 183,-0.0 -1,-0.3 -0.637 58.1-101.7 -91.0 147.7 20.8 33.1 23.3 42 42 A P B -X 36 0C 12 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.285 35.9-157.6 -65.7 150.1 17.0 33.7 23.3 43 43 A V - 0 0 40 -8,-1.3 181,-0.3 181,-0.2 3,-0.1 -0.850 17.9-103.3-126.5 163.3 15.5 36.6 21.3 44 44 A A S S+ 0 0 40 -2,-0.3 177,-0.2 1,-0.2 176,-0.2 -0.362 89.2 31.2 -83.9 165.5 12.3 38.6 21.6 45 45 A S S S+ 0 0 95 175,-1.9 2,-0.3 177,-0.2 175,-0.2 0.965 81.7 135.2 53.2 69.0 9.2 38.4 19.4 46 46 A T E - S 0 219B 5 173,-2.1 173,-2.3 -3,-0.1 2,-0.4 -0.998 30.1-177.2-147.9 140.9 9.2 34.7 18.5 47 47 A V E + S 0 218B 24 -2,-0.3 -24,-2.8 171,-0.2 2,-0.3 -0.997 11.4 167.6-136.8 138.2 6.6 31.9 18.3 48 48 A G E +RS 22 217B 0 169,-2.2 169,-1.9 -2,-0.4 2,-0.3 -0.994 5.5 176.5-152.8 147.0 7.2 28.3 17.4 49 49 A R E -RS 21 216B 2 -28,-2.5 -28,-3.1 -2,-0.3 2,-0.3 -0.973 11.6-157.6-147.6 159.5 5.3 24.9 17.6 50 50 A I E -RS 20 215B 0 165,-2.1 165,-1.9 -2,-0.3 2,-0.3 -0.976 7.9-172.2-136.9 150.0 5.7 21.3 16.7 51 51 A L E -RS 19 214B 2 -32,-1.4 -32,-3.1 -2,-0.3 2,-0.4 -0.982 31.2-112.7-139.4 146.8 3.0 18.6 16.1 52 52 A F E -R 18 0B 0 161,-2.4 161,-0.3 -2,-0.3 -34,-0.2 -0.682 28.9-133.5 -79.5 137.1 3.4 14.9 15.5 53 53 A S S S+ 0 0 29 -36,-3.0 2,-0.3 -2,-0.4 -1,-0.1 0.839 81.7 82.1 -61.6 -38.5 2.3 14.1 11.9 54 54 A A S S- 0 0 0 -37,-0.3 159,-0.3 1,-0.1 2,-0.2 -0.530 82.8-123.9 -74.0 134.3 0.0 11.2 12.7 55 55 A Q - 0 0 27 -2,-0.3 2,-0.5 157,-0.1 157,-0.2 -0.512 19.6-132.4 -77.6 143.5 -3.4 12.0 13.9 56 56 A V E -Y 211 0D 2 155,-3.4 155,-2.5 -2,-0.2 2,-1.5 -0.840 7.2-135.4-101.5 131.2 -4.7 10.7 17.2 57 57 A H E +Y 210 0D 10 -2,-0.5 153,-0.2 -56,-0.4 3,-0.1 -0.678 30.7 173.4 -86.0 90.2 -8.1 9.0 17.5 58 58 A L - 0 0 4 -2,-1.5 9,-3.4 151,-1.5 2,-0.3 0.827 63.7 -7.5 -66.7 -39.3 -9.1 10.7 20.8 59 59 A W E -E 66 0A 43 150,-1.3 2,-0.4 7,-0.3 7,-0.2 -0.985 57.4-144.2-157.7 158.0 -12.7 9.4 20.8 60 60 A E E >> -E 65 0A 10 5,-2.8 5,-1.8 -2,-0.3 4,-0.9 -0.949 1.8-164.7-133.7 111.7 -15.0 7.4 18.6 61 61 A K T >45S+ 0 0 157 -2,-0.4 3,-1.4 1,-0.2 -1,-0.2 0.955 87.6 58.5 -56.8 -56.4 -18.8 8.1 18.5 62 62 A S T 345S+ 0 0 103 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.856 119.3 29.5 -42.5 -48.8 -19.8 4.9 16.7 63 63 A S T 345S- 0 0 24 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.2 0.443 103.1-126.0 -95.2 -1.5 -18.3 2.7 19.5 64 64 A S T <<5 + 0 0 86 -3,-1.4 176,-0.6 -4,-0.9 2,-0.3 0.864 60.5 146.1 58.8 37.2 -18.8 5.2 22.3 65 65 A R E < -EF 60 239A 22 -5,-1.8 -5,-2.8 174,-0.1 2,-0.4 -0.806 33.4-166.0-108.4 149.3 -15.1 4.9 23.2 66 66 A V E -EF 59 238A 10 172,-2.0 172,-1.7 -2,-0.3 -7,-0.3 -0.991 25.9-114.9-131.5 139.2 -12.8 7.6 24.5 67 67 A A E - F 0 237A 0 -9,-3.4 2,-0.5 -2,-0.4 170,-0.3 -0.436 11.7-146.7 -77.5 143.9 -9.0 7.3 24.6 68 68 A N E - F 0 236A 59 168,-2.5 168,-2.1 -2,-0.1 2,-0.3 -0.928 33.1-179.3-102.5 132.3 -6.9 7.2 27.7 69 69 A F E -GF 176 235A 7 107,-1.2 107,-2.5 -2,-0.5 2,-0.4 -0.931 22.8-162.9-136.4 162.3 -3.6 8.9 26.9 70 70 A Q E -GF 175 234A 77 164,-2.3 164,-1.9 -2,-0.3 2,-0.5 -0.990 2.1-170.6-144.7 131.3 -0.3 9.8 28.5 71 71 A S E -GF 174 233A 0 103,-3.0 103,-2.9 -2,-0.4 2,-0.4 -0.990 6.0-174.4-126.8 121.8 2.3 12.3 27.5 72 72 A Q E +GF 173 232A 102 160,-2.5 160,-2.9 -2,-0.5 2,-0.3 -0.965 19.1 146.7-116.9 132.3 5.6 12.4 29.2 73 73 A F E -GF 172 231A 2 99,-2.3 99,-3.5 -2,-0.4 2,-0.3 -0.981 30.8-146.2-158.0 165.3 8.2 15.1 28.4 74 74 A S E +GF 171 230A 9 156,-1.6 155,-2.4 -2,-0.3 156,-1.2 -0.997 19.1 169.3-140.2 143.8 10.9 17.2 29.7 75 75 A F E -GF 170 228A 2 95,-1.5 95,-3.1 -2,-0.3 2,-0.3 -0.961 16.8-150.3-147.8 164.1 12.0 20.8 28.9 76 76 A S E - F 0 227A 15 151,-1.7 151,-2.3 -2,-0.3 2,-0.4 -0.959 6.6-150.3-136.6 152.9 14.3 23.5 30.2 77 77 A L E - F 0 226A 6 88,-0.5 90,-3.3 91,-0.4 2,-0.4 -0.987 15.3-178.1-125.5 134.6 14.1 27.3 30.1 78 78 A K E + F 0 225A 34 147,-0.6 147,-2.7 -2,-0.4 3,-0.1 -0.999 6.4 164.8-137.5 137.2 17.1 29.5 30.0 79 79 A S - 0 0 11 -2,-0.4 5,-0.1 145,-0.2 145,-0.1 -0.970 39.5-140.3-154.9 136.7 17.4 33.3 29.9 80 80 A P S S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 144,-0.1 0.825 96.5 62.0 -61.2 -31.9 20.1 36.0 30.6 81 81 A L S S- 0 0 73 142,-0.3 -2,-0.2 -3,-0.1 3,-0.1 0.054 85.0-131.2 -78.0-167.7 17.4 38.0 32.3 82 82 A S S S+ 0 0 105 1,-0.1 2,-0.2 84,-0.0 -1,-0.1 0.345 97.9 67.3-127.4 -5.5 15.5 36.9 35.4 83 83 A N S S- 0 0 106 140,-0.1 -1,-0.1 2,-0.0 140,-0.1 -0.458 74.5-179.0-112.6 53.9 12.0 37.7 34.0 84 84 A G - 0 0 1 -2,-0.2 2,-0.3 -3,-0.1 140,-0.2 -0.244 20.6-114.1 -57.4 143.7 12.0 35.0 31.3 85 85 A A - 0 0 0 135,-0.1 139,-0.3 2,-0.1 2,-0.1 -0.965 46.5 -20.0-146.0 160.2 8.9 34.9 29.1 86 86 A D - 0 0 6 -2,-0.3 45,-1.1 137,-0.2 46,-0.8 -0.970 69.0-124.5-110.7 -17.6 6.5 33.7 28.1 87 87 A G E -TU 130 218B 0 131,-0.9 131,-1.3 43,-0.2 2,-0.3 -0.725 12.4 -95.7 139.1 172.3 6.2 29.9 28.5 88 88 A I E -TU 129 217B 1 41,-1.4 41,-2.4 -2,-0.2 2,-0.4 -0.926 28.8-165.1-126.7 150.2 5.7 26.6 26.9 89 89 A A E -TU 128 216B 0 127,-2.9 127,-2.3 -2,-0.3 2,-0.5 -0.998 18.7-144.2-142.1 140.4 2.6 24.5 26.5 90 90 A F E -TU 127 215B 3 37,-2.3 37,-2.8 -2,-0.4 2,-0.3 -0.854 39.8-178.8 -93.0 132.3 1.7 20.9 25.6 91 91 A F E -TU 126 214B 1 123,-2.7 123,-2.1 -2,-0.5 2,-0.4 -0.956 31.6-154.8-141.7 161.4 -1.5 21.0 23.6 92 92 A I E +TU 125 213B 5 33,-2.7 33,-1.9 -2,-0.3 121,-0.2 -0.999 33.4 146.7-130.1 129.1 -4.1 19.0 21.7 93 93 A A E - 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