==== 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 1N3Q . 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) . 18786.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 68.3 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 . 49 10.2 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 . 13 2.7 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 Q 0 0 7 0, 0.0 56,-0.3 0, 0.0 249,-0.2 0.000 360.0 360.0 360.0 144.9 -5.6 3.1 14.8 2 2 A D + 0 0 17 247,-1.8 235,-2.0 250,-0.2 2,-0.4 0.828 360.0 29.4 -72.3 -34.3 -7.2 2.3 18.2 3 3 A S E +AB 236 249A 38 246,-1.2 246,-1.7 233,-0.2 2,-0.3 -0.962 66.6 171.9-130.8 148.0 -3.8 2.7 19.8 4 4 A L E +AB 235 248A 7 231,-2.2 231,-2.6 -2,-0.4 2,-0.3 -0.986 2.2 165.8-153.0 142.3 -0.8 4.7 19.0 5 5 A S E +AB 234 247A 34 242,-2.3 242,-2.4 -2,-0.3 2,-0.3 -0.985 3.6 172.5-157.0 152.4 2.5 5.5 20.8 6 6 A F E -AB 233 246A 6 227,-2.0 227,-2.5 -2,-0.3 2,-0.4 -0.969 13.9-152.1-158.2 150.3 5.9 7.0 19.9 7 7 A G E -AB 232 245A 8 238,-1.9 237,-1.6 -2,-0.3 238,-1.3 -0.994 9.7-170.0-137.6 133.2 8.9 8.0 21.9 8 8 A F E +A 231 0A 3 223,-3.5 223,-2.0 -2,-0.4 3,-0.1 -0.866 6.2 177.0-116.2 90.3 11.6 10.6 21.4 9 9 A P S S- 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.903 81.5 -8.6 -59.5 -35.2 14.4 10.0 24.0 10 10 A T S S- 0 0 61 -3,-0.1 20,-0.2 220,-0.1 234,-0.2 -0.847 76.8-109.3-145.5 179.4 16.1 12.9 22.2 11 11 A F - 0 0 0 18,-2.3 18,-0.2 -2,-0.3 19,-0.1 -0.744 30.0-166.7-122.7 83.7 15.6 14.9 19.0 12 12 A P - 0 0 15 0, 0.0 3,-0.1 0, 0.0 15,-0.0 -0.203 34.4-109.5 -60.9 162.6 18.2 14.1 16.3 13 13 A S S S+ 0 0 105 1,-0.2 2,-1.5 13,-0.0 13,-0.2 0.770 102.5 75.0 -70.2 -26.1 18.2 16.6 13.4 14 14 A D + 0 0 51 2,-0.0 -1,-0.2 0, 0.0 2,-0.2 -0.479 65.2 167.6 -88.9 71.0 16.7 14.4 10.7 15 15 A Q + 0 0 26 -2,-1.5 -4,-0.0 1,-0.1 -2,-0.0 -0.541 16.7 170.7 -82.6 149.4 13.1 14.3 11.7 16 16 A K S S+ 0 0 95 -2,-0.2 -1,-0.1 281,-0.1 281,-0.1 0.554 73.7 48.0-128.5 -24.4 10.4 13.0 9.4 17 17 A N S S+ 0 0 3 280,-0.1 36,-3.2 279,-0.1 2,-0.4 0.163 88.4 96.4-109.7 19.6 7.2 12.9 11.5 18 18 A L E -R 52 0B 16 34,-0.2 2,-0.6 35,-0.1 34,-0.2 -0.916 60.1-147.0-113.3 134.6 7.2 16.3 13.1 19 19 A I E -R 51 0B 51 32,-3.3 32,-1.6 -2,-0.4 2,-0.5 -0.883 17.9-156.3 -98.1 119.3 5.3 19.3 11.8 20 20 A F E -R 50 0B 85 -2,-0.6 2,-0.4 30,-0.2 30,-0.2 -0.847 13.5-179.4 -99.4 129.6 7.3 22.5 12.6 21 21 A Q E > -R 49 0B 31 28,-2.8 28,-2.4 -2,-0.5 3,-1.2 -0.968 52.7 -11.6-128.5 144.9 5.4 25.8 12.8 22 22 A G E 3 S-R 48 0B 56 -2,-0.4 26,-0.3 26,-0.2 12,-0.1 -0.524 125.7 -23.2 73.1-130.7 6.8 29.3 13.5 23 23 A D T 3 S+ 0 0 63 24,-2.6 -1,-0.2 10,-0.3 25,-0.2 0.273 92.9 133.2-102.1 11.3 10.4 29.3 14.7 24 24 A A < + 0 0 9 -3,-1.2 2,-0.3 25,-0.2 9,-0.2 -0.372 25.4 148.8 -64.9 137.4 10.6 25.8 16.1 25 25 A Q E -C 32 0A 81 7,-1.4 7,-3.0 9,-0.1 2,-0.4 -0.983 45.6 -98.1-162.2 161.5 13.7 23.9 15.0 26 26 A I E +C 31 0A 29 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.702 39.7 164.3 -91.3 138.5 16.1 21.2 16.2 27 27 A K E > -C 30 0A 61 3,-2.6 3,-1.0 -2,-0.4 -16,-0.1 -0.948 67.7 -4.0-151.9 128.2 19.5 22.2 17.8 28 28 A N T 3 S- 0 0 151 -2,-0.3 -17,-0.1 1,-0.2 3,-0.1 0.916 127.3 -56.8 53.8 49.4 21.8 20.0 19.8 29 29 A N T 3 S+ 0 0 99 -18,-0.2 -18,-2.3 1,-0.2 2,-0.3 0.736 121.7 92.6 55.4 27.6 19.4 17.0 19.8 30 30 A A E < S-C 27 0A 10 -3,-1.0 -3,-2.6 -20,-0.2 2,-0.6 -0.951 79.7-109.3-142.5 160.3 16.6 19.1 21.3 31 31 A V E -CD 26 228A 0 197,-2.6 197,-2.5 -2,-0.3 2,-1.1 -0.843 19.9-158.1 -97.3 118.5 13.7 21.1 20.0 32 32 A Q E -CD 25 227A 22 -7,-3.0 -7,-1.4 -2,-0.6 195,-0.2 -0.818 9.2-174.3 -93.6 97.5 14.1 24.9 20.4 33 33 A L + 0 0 0 193,-2.0 2,-0.3 -2,-1.1 -10,-0.3 0.864 69.5 48.0 -60.7 -37.3 10.5 26.0 20.2 34 34 A T S S- 0 0 1 192,-0.3 192,-0.2 -3,-0.1 -9,-0.1 -0.813 99.7 -91.7-109.8 150.1 11.5 29.6 20.3 35 35 A K - 0 0 58 -2,-0.3 8,-1.4 184,-0.1 2,-0.3 -0.133 38.8-174.4 -58.7 145.7 14.2 31.4 18.3 36 36 A T B -X 42 0C 17 6,-0.2 -1,-0.0 -4,-0.1 -4,-0.0 -0.929 19.6-117.9-136.7 158.6 17.8 31.8 19.5 37 37 A D > - 0 0 58 4,-2.6 3,-1.5 -2,-0.3 -1,-0.1 -0.052 44.7 -76.2 -87.1-167.4 20.7 33.7 18.0 38 38 A S T 3 S+ 0 0 129 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.910 131.7 44.8 -56.3 -49.4 24.2 32.6 16.8 39 39 A N T 3 S- 0 0 114 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.225 124.5-100.9 -83.3 15.1 25.6 32.1 20.3 40 40 A G S < S+ 0 0 40 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.610 72.6 145.4 79.5 13.9 22.4 30.3 21.4 41 41 A N - 0 0 68 1,-0.1 -4,-2.6 38,-0.0 -1,-0.2 -0.619 51.7-107.8 -88.7 145.1 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 -0.292 34.7-154.7 -66.0 150.4 17.0 33.6 23.4 43 43 A V - 0 0 40 -8,-1.4 181,-0.3 181,-0.2 3,-0.2 -0.837 16.0-102.5-126.0 164.7 15.5 36.5 21.5 44 44 A A S S+ 0 0 42 -2,-0.3 177,-0.2 1,-0.2 176,-0.2 -0.312 90.5 28.9 -81.2 166.6 12.3 38.6 21.7 45 45 A S S S+ 0 0 99 175,-2.5 2,-0.3 177,-0.2 175,-0.2 0.947 82.5 136.8 48.2 71.2 9.2 38.3 19.6 46 46 A T E - S 0 219B 4 173,-2.0 173,-2.1 -3,-0.2 2,-0.4 -0.992 29.4-177.5-149.2 137.4 9.2 34.6 18.7 47 47 A V E + S 0 218B 23 -2,-0.3 -24,-2.6 171,-0.2 2,-0.3 -0.983 10.2 171.1-132.0 143.3 6.6 31.9 18.6 48 48 A G E +RS 22 217B 0 169,-2.3 169,-2.1 -2,-0.4 2,-0.3 -0.994 4.9 176.2-153.5 147.9 7.2 28.2 17.7 49 49 A R E -RS 21 216B 1 -28,-2.4 -28,-2.8 -2,-0.3 2,-0.3 -0.981 10.3-160.3-149.2 157.7 5.2 24.9 17.8 50 50 A I E -RS 20 215B 0 165,-2.0 165,-1.8 -2,-0.3 2,-0.3 -0.985 6.8-172.7-139.2 149.1 5.6 21.3 16.8 51 51 A L E -RS 19 214B 1 -32,-1.6 -32,-3.3 -2,-0.3 2,-0.3 -0.992 30.7-115.0-140.2 143.8 3.0 18.6 16.2 52 52 A F E -R 18 0B 1 161,-1.9 -34,-0.2 -2,-0.3 161,-0.2 -0.644 28.9-134.0 -77.5 138.8 3.4 14.8 15.6 53 53 A S S S+ 0 0 26 -36,-3.2 2,-0.1 -2,-0.3 -1,-0.1 0.899 81.1 82.9 -62.2 -45.8 2.2 14.2 12.0 54 54 A A S S- 0 0 1 -37,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.414 84.0-122.4 -65.0 132.0 0.1 11.1 12.7 55 55 A Q - 0 0 29 -2,-0.1 2,-0.4 157,-0.1 157,-0.2 -0.499 19.8-132.1 -77.2 143.6 -3.4 12.0 13.9 56 56 A V E -Y 211 0D 4 155,-3.0 155,-2.7 -2,-0.2 2,-1.4 -0.825 8.0-134.7-100.5 132.5 -4.6 10.7 17.3 57 57 A H E +Y 210 0D 11 -2,-0.4 153,-0.2 -56,-0.3 3,-0.1 -0.705 30.4 173.6 -87.1 92.6 -8.0 9.1 17.6 58 58 A L - 0 0 3 151,-1.8 9,-3.6 -2,-1.4 2,-0.3 0.863 64.0 -7.3 -69.1 -42.1 -9.1 10.8 20.8 59 59 A W E -E 66 0A 44 150,-1.4 2,-0.5 7,-0.3 -1,-0.2 -0.987 57.8-142.8-156.7 153.3 -12.7 9.4 20.8 60 60 A E E >> -E 65 0A 12 5,-2.6 5,-1.4 -2,-0.3 4,-1.1 -0.968 3.7-161.3-124.6 115.8 -14.9 7.4 18.6 61 61 A K T 45S+ 0 0 159 -2,-0.5 3,-0.3 3,-0.2 -1,-0.1 0.925 88.0 53.1 -60.0 -50.1 -18.6 8.2 18.4 62 62 A S T 45S+ 0 0 112 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.900 119.1 33.1 -55.6 -47.6 -19.9 4.9 16.9 63 63 A S T 45S- 0 0 25 2,-0.1 -1,-0.2 176,-0.0 -2,-0.2 0.587 103.1-130.7 -85.7 -10.5 -18.2 2.7 19.6 64 64 A S T <5 + 0 0 76 -4,-1.1 176,-0.5 -3,-0.3 2,-0.3 0.848 57.3 146.7 63.1 35.2 -18.7 5.3 22.3 65 65 A R E < -E 60 0A 21 -5,-1.4 -5,-2.6 174,-0.1 2,-0.4 -0.758 34.7-159.3-104.8 151.8 -15.1 4.9 23.3 66 66 A V E -EF 59 238A 9 172,-2.0 172,-1.7 -2,-0.3 -7,-0.3 -0.981 25.4-108.8-129.2 140.8 -12.7 7.6 24.6 67 67 A A E - F 0 237A 0 -9,-3.6 2,-0.6 -2,-0.4 170,-0.3 -0.394 14.6-149.6 -73.7 142.9 -9.0 7.5 24.6 68 68 A N E + F 0 236A 58 168,-2.7 168,-1.8 109,-0.1 2,-0.3 -0.964 33.3 178.2-105.9 115.1 -6.9 7.0 27.7 69 69 A F E -GF 176 235A 4 107,-0.9 107,-2.7 -2,-0.6 2,-0.3 -0.866 23.8-166.8-127.2 162.1 -3.6 8.8 27.0 70 70 A Q E -GF 175 234A 71 164,-2.2 164,-2.0 -2,-0.3 2,-0.5 -0.979 2.8-169.6-146.2 127.9 -0.3 9.7 28.7 71 71 A S E -GF 174 233A 0 103,-3.0 103,-2.9 -2,-0.3 2,-0.4 -0.984 5.6-174.7-123.5 124.0 2.3 12.2 27.6 72 72 A Q E +GF 173 232A 104 160,-2.5 160,-3.0 -2,-0.5 2,-0.3 -0.960 20.0 140.6-118.8 134.8 5.7 12.3 29.3 73 73 A F E -GF 172 231A 4 99,-2.3 99,-3.3 -2,-0.4 2,-0.3 -0.984 32.3-144.4-163.8 167.6 8.2 15.0 28.5 74 74 A S E +GF 171 230A 11 156,-1.5 155,-2.8 -2,-0.3 156,-1.1 -0.999 17.3 174.1-144.6 142.8 10.9 17.2 29.9 75 75 A F E -GF 170 228A 2 95,-1.3 95,-2.8 -2,-0.3 2,-0.3 -0.932 15.1-149.2-142.0 165.2 12.0 20.8 29.1 76 76 A S E - F 0 227A 17 151,-1.7 151,-2.2 -2,-0.3 2,-0.4 -0.967 7.1-149.2-135.9 151.6 14.3 23.4 30.4 77 77 A L E - F 0 226A 6 88,-0.5 90,-3.6 91,-0.4 91,-0.4 -0.976 16.4-179.3-122.9 135.1 14.1 27.2 30.3 78 78 A K E + F 0 225A 35 147,-0.7 147,-2.9 -2,-0.4 3,-0.1 -1.000 7.4 159.7-138.6 137.0 17.2 29.4 30.1 79 79 A S - 0 0 13 -2,-0.4 5,-0.1 145,-0.2 145,-0.1 -0.974 43.1-137.3-158.7 141.3 17.5 33.2 30.0 80 80 A P S S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.786 95.8 66.5 -65.2 -27.9 20.1 35.9 30.7 81 81 A L S S- 0 0 64 142,-0.3 3,-0.2 1,-0.1 -2,-0.2 -0.290 81.5-135.2 -85.8 174.5 17.2 37.8 32.4 82 82 A S S S+ 0 0 114 1,-0.2 -1,-0.1 -2,-0.1 84,-0.0 0.262 99.6 67.4-112.3 5.7 15.4 36.8 35.6 83 83 A N S S+ 0 0 101 140,-0.1 -1,-0.2 2,-0.0 48,-0.0 -0.341 73.5 177.1-119.0 45.5 12.1 37.6 34.0 84 84 A G - 0 0 2 -3,-0.2 2,-0.3 -5,-0.1 140,-0.2 -0.215 22.7-119.3 -54.0 140.0 12.0 34.9 31.4 85 85 A A - 0 0 0 135,-0.1 139,-0.3 2,-0.1 2,-0.1 -0.943 44.9 -15.0-144.7 162.6 8.9 34.7 29.3 86 86 A D - 0 0 5 -2,-0.3 45,-1.2 137,-0.2 46,-0.9 -0.961 69.8-123.7-109.9 -17.1 6.5 33.6 28.2 87 87 A G E -TU 130 218B 0 131,-0.9 131,-1.2 43,-0.2 2,-0.3 -0.714 12.1 -96.9 138.6 170.5 6.2 29.9 28.7 88 88 A I E -TU 129 217B 2 41,-1.4 41,-2.5 -2,-0.2 2,-0.4 -0.907 30.5-165.9-124.8 152.4 5.8 26.5 27.1 89 89 A A E -TU 128 216B 0 127,-2.7 127,-2.1 -2,-0.3 2,-0.5 -0.998 20.1-143.6-145.7 142.5 2.7 24.4 26.6 90 90 A F E +TU 127 215B 3 37,-2.3 37,-2.9 -2,-0.4 2,-0.3 -0.876 38.8 178.8 -96.0 130.1 1.6 20.9 25.7 91 91 A F E -TU 126 214B 1 123,-2.3 123,-2.1 -2,-0.5 2,-0.4 -0.933 30.8-154.2-138.6 163.9 -1.6 21.0 23.7 92 92 A I E +TU 125 213B 5 33,-2.2 33,-1.9 -2,-0.3 121,-0.2 -0.999 34.3 146.6-131.8 129.8 -4.1 18.9 21.8 93 93 A A E - 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