==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 12-APR-07 2PHT . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PTEROCARPUS ANGOLENSIS; . AUTHOR A.GARCIA-PINO,L.BUTS,L.WYNS,A.IMBERTY,R.LORIS . 480 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 328 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 . 210 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 . 50 10.4 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 7 1 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 8 0, 0.0 56,-0.3 0, 0.0 248,-0.2 0.000 360.0 360.0 360.0 146.6 -5.7 3.1 14.6 2 2 A D + 0 0 16 246,-2.0 235,-2.0 1,-0.2 2,-0.4 0.789 360.0 32.8 -74.1 -31.0 -7.3 2.5 18.0 3 3 A S E +AB 236 248A 38 245,-1.3 245,-2.2 233,-0.2 2,-0.3 -0.982 65.8 172.3-132.5 143.6 -3.9 2.8 19.6 4 4 A L E +AB 235 247A 6 231,-2.2 231,-2.6 -2,-0.4 2,-0.3 -0.995 1.6 168.9-148.1 140.2 -0.8 4.9 18.8 5 5 A S E +AB 234 246A 34 241,-2.5 241,-2.6 -2,-0.3 2,-0.3 -0.992 1.6 171.3-152.7 149.1 2.5 5.6 20.6 6 6 A F E -AB 233 245A 6 227,-2.3 227,-2.8 -2,-0.3 2,-0.4 -0.983 12.6-155.4-154.9 152.0 5.8 7.2 19.8 7 7 A G E -AB 232 244A 7 237,-2.1 236,-1.5 -2,-0.3 237,-1.4 -0.979 10.5-172.6-141.5 128.1 8.9 8.2 21.6 8 8 A F E +A 231 0A 2 223,-3.9 223,-2.2 -2,-0.4 3,-0.1 -0.900 4.6 178.0-113.5 96.5 11.7 10.7 21.0 9 9 A P S S- 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.887 81.6 -7.8 -64.3 -34.0 14.4 10.2 23.6 10 10 A T S S- 0 0 61 -3,-0.1 20,-0.2 220,-0.1 233,-0.2 -0.860 77.2-110.9-146.2 177.2 16.2 13.0 21.8 11 11 A F - 0 0 0 18,-2.5 18,-0.2 -2,-0.3 16,-0.1 -0.733 28.8-165.3-123.0 83.4 15.6 15.0 18.6 12 12 A P - 0 0 16 0, 0.0 15,-0.0 0, 0.0 14,-0.0 -0.219 34.7-108.4 -59.9 158.2 18.2 14.2 15.9 13 13 A S S S+ 0 0 104 1,-0.2 2,-1.5 13,-0.1 13,-0.2 0.772 102.7 75.8 -64.4 -28.7 18.3 16.7 13.0 14 14 A D + 0 0 55 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.614 65.0 168.7 -88.8 85.8 16.8 14.5 10.4 15 15 A Q + 0 0 29 -2,-1.5 -2,-0.0 1,-0.1 11,-0.0 -0.752 18.3 170.8 -98.2 143.6 13.1 14.4 11.3 16 16 A K S S+ 0 0 102 -2,-0.3 -1,-0.1 280,-0.1 281,-0.0 0.644 74.6 47.7-119.6 -30.1 10.4 13.0 9.1 17 17 A N S S+ 0 0 2 279,-0.1 36,-2.8 278,-0.1 2,-0.4 0.100 87.8 97.3-105.9 24.1 7.2 13.0 11.2 18 18 A L E -R 52 0B 17 34,-0.2 2,-0.7 35,-0.1 34,-0.2 -0.930 59.0-147.7-116.4 134.9 7.2 16.5 12.7 19 19 A I E -R 51 0B 53 32,-3.0 32,-1.3 -2,-0.4 2,-0.4 -0.889 19.2-157.0 -98.7 114.2 5.3 19.5 11.4 20 20 A F E +R 50 0B 80 -2,-0.7 2,-0.3 30,-0.2 30,-0.2 -0.794 13.6 179.9 -94.7 132.6 7.4 22.6 12.2 21 21 A Q E > -R 49 0B 31 28,-2.7 28,-2.3 -2,-0.4 3,-1.3 -0.972 51.1 -9.3-131.1 146.9 5.6 25.9 12.4 22 22 A G E 3 S-R 48 0B 56 -2,-0.3 26,-0.3 26,-0.2 12,-0.1 -0.463 124.7 -24.6 71.8-136.6 6.9 29.4 13.1 23 23 A D T 3 S+ 0 0 64 24,-3.1 -1,-0.2 10,-0.3 25,-0.2 0.347 94.1 133.5 -95.3 6.6 10.5 29.6 14.2 24 24 A A < + 0 0 9 -3,-1.3 2,-0.3 25,-0.2 9,-0.2 -0.315 25.6 152.2 -62.1 134.0 10.8 26.0 15.6 25 25 A Q E -C 32 0A 78 7,-1.8 7,-3.1 9,-0.1 2,-0.3 -0.984 44.6 -98.6-157.2 162.8 13.8 24.1 14.6 26 26 A I E +C 31 0A 28 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.701 43.0 160.8 -89.3 137.7 16.2 21.3 15.7 27 27 A K E > -C 30 0A 66 3,-2.7 3,-1.1 -2,-0.3 -16,-0.1 -0.929 64.9 -1.2-157.2 130.2 19.5 22.2 17.3 28 28 A N T 3 S- 0 0 153 -2,-0.3 -17,-0.1 1,-0.3 3,-0.1 0.912 126.8 -59.4 55.2 46.0 21.9 20.2 19.5 29 29 A N T 3 S+ 0 0 99 1,-0.2 -18,-2.5 -18,-0.2 2,-0.3 0.733 121.7 94.4 55.9 26.4 19.5 17.1 19.4 30 30 A A E < S-C 27 0A 10 -3,-1.1 -3,-2.7 -20,-0.2 2,-0.7 -0.927 80.4-108.3-139.6 161.8 16.7 19.2 20.9 31 31 A V E -CD 26 228A 0 197,-2.8 197,-2.8 -2,-0.3 2,-1.0 -0.853 22.4-158.2 -98.1 116.2 13.8 21.2 19.6 32 32 A Q E -CD 25 227A 20 -7,-3.1 -7,-1.8 -2,-0.7 195,-0.2 -0.802 9.0-175.5 -92.6 100.0 14.2 25.0 19.9 33 33 A L + 0 0 0 193,-2.1 2,-0.3 -2,-1.0 -10,-0.3 0.875 68.5 48.5 -64.2 -37.4 10.6 26.2 19.8 34 34 A T S S- 0 0 1 192,-0.4 192,-0.2 -3,-0.1 -9,-0.1 -0.781 98.5 -92.2-108.0 151.3 11.7 29.9 19.8 35 35 A K - 0 0 56 -2,-0.3 8,-1.6 184,-0.1 2,-0.3 -0.190 38.2-173.9 -61.9 144.7 14.4 31.6 17.7 36 36 A T B -X 42 0C 13 6,-0.2 4,-0.1 -4,-0.1 -4,-0.0 -0.958 21.3-116.6-135.9 152.4 18.0 32.0 18.9 37 37 A D > - 0 0 57 4,-2.6 3,-2.1 -2,-0.3 -1,-0.0 -0.077 47.7 -76.0 -80.2-174.3 20.9 33.8 17.3 38 38 A S T 3 S+ 0 0 132 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.776 132.0 48.0 -53.1 -33.0 24.2 32.5 15.9 39 39 A N T 3 S- 0 0 115 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.048 123.1 -99.7-100.4 26.0 25.6 32.0 19.4 40 40 A G S < S+ 0 0 44 -3,-2.1 -2,-0.1 1,-0.2 185,-0.1 0.702 74.4 143.3 68.3 23.1 22.5 30.2 20.8 41 41 A N - 0 0 60 1,-0.1 -4,-2.6 183,-0.0 -1,-0.2 -0.767 52.8-109.8 -98.8 141.5 21.0 33.2 22.6 42 42 A P B -X 36 0C 12 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.338 32.3-157.4 -66.3 144.7 17.2 33.8 22.8 43 43 A V - 0 0 40 -8,-1.6 181,-0.3 181,-0.1 3,-0.2 -0.794 17.8-104.8-120.1 164.0 15.7 36.7 20.8 44 44 A A S S+ 0 0 41 -2,-0.3 177,-0.2 1,-0.2 176,-0.2 -0.357 89.7 31.7 -85.5 167.3 12.5 38.7 21.2 45 45 A S S S+ 0 0 105 175,-2.5 2,-0.3 177,-0.2 175,-0.2 0.942 83.1 137.1 52.4 61.5 9.3 38.5 19.2 46 46 A T E - S 0 219B 2 173,-2.2 173,-2.5 -3,-0.2 2,-0.3 -0.994 29.1-178.0-139.2 143.8 9.4 34.8 18.2 47 47 A V E + S 0 218B 23 -2,-0.3 -24,-3.1 171,-0.2 2,-0.3 -0.991 8.9 164.9-139.3 145.3 6.9 32.0 18.0 48 48 A G E +RS 22 217B 0 169,-2.1 169,-2.0 -2,-0.3 2,-0.3 -0.989 7.4 178.7-159.8 152.3 7.2 28.4 17.1 49 49 A R E -RS 21 216B 2 -28,-2.3 -28,-2.7 -2,-0.3 2,-0.3 -0.971 9.6-158.9-150.9 161.2 5.3 25.1 17.4 50 50 A I E -RS 20 215B 0 165,-2.0 165,-1.9 -2,-0.3 2,-0.3 -0.982 8.0-172.9-141.7 148.1 5.7 21.4 16.4 51 51 A L E -RS 19 214B 2 -32,-1.3 -32,-3.0 -2,-0.3 2,-0.3 -0.982 32.1-108.7-140.0 149.0 3.0 18.7 15.9 52 52 A F E -R 18 0B 0 161,-2.3 161,-0.2 -2,-0.3 -34,-0.2 -0.618 28.2-133.6 -77.4 139.0 3.3 15.0 15.3 53 53 A S S S+ 0 0 28 -36,-2.8 2,-0.2 -2,-0.3 -1,-0.1 0.876 82.2 81.8 -62.6 -41.5 2.3 14.2 11.7 54 54 A A S S- 0 0 0 -37,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.475 83.9-122.8 -70.0 133.5 0.1 11.2 12.5 55 55 A Q - 0 0 31 -2,-0.2 2,-0.5 157,-0.1 157,-0.2 -0.530 20.2-132.7 -78.1 141.3 -3.4 12.2 13.7 56 56 A V E -Y 211 0D 3 155,-3.3 155,-2.9 -2,-0.2 2,-1.3 -0.814 6.8-136.8 -98.0 130.2 -4.6 10.9 17.1 57 57 A H E +Y 210 0D 11 -2,-0.5 153,-0.2 -56,-0.3 3,-0.1 -0.712 30.4 171.9 -87.2 94.4 -8.0 9.3 17.4 58 58 A L - 0 0 3 151,-1.8 9,-3.4 -2,-1.3 2,-0.3 0.843 62.0 -5.1 -73.3 -38.2 -9.1 10.9 20.6 59 59 A W E -E 66 0A 44 150,-1.4 2,-0.5 7,-0.3 7,-0.2 -0.993 56.0-142.8-157.1 157.7 -12.7 9.6 20.6 60 60 A E E >> -E 65 0A 15 5,-2.7 5,-1.3 -2,-0.3 4,-1.3 -0.959 1.4-162.9-130.5 114.4 -15.2 7.7 18.4 61 61 A K T 45S+ 0 0 63 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.895 90.0 54.0 -60.4 -43.6 -18.9 8.6 18.2 62 62 A S T 45S+ 0 0 109 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.917 119.0 31.3 -60.1 -47.7 -20.0 5.3 16.8 63 63 A S T 45S- 0 0 27 2,-0.1 -1,-0.2 176,-0.0 -2,-0.2 0.527 101.3-127.7 -89.9 -6.6 -18.4 3.1 19.5 64 64 A S T <5 + 0 0 64 -4,-1.3 176,-0.5 1,-0.2 2,-0.3 0.823 59.8 146.7 63.8 30.9 -18.8 5.6 22.3 65 65 A R E < -E 60 0A 21 -5,-1.3 -5,-2.7 174,-0.1 2,-0.4 -0.740 32.9-165.8-102.4 150.5 -15.1 5.2 23.1 66 66 A V E -EF 59 238A 11 172,-1.9 172,-2.0 -2,-0.3 -7,-0.3 -0.985 25.1-112.9-131.9 142.0 -12.7 7.9 24.4 67 67 A A E - F 0 237A 0 -9,-3.4 2,-0.5 -2,-0.4 170,-0.3 -0.467 11.5-144.9 -81.3 145.7 -9.0 7.6 24.4 68 68 A N E - F 0 236A 53 168,-2.6 168,-2.1 -2,-0.2 2,-0.3 -0.918 32.6-177.1-100.8 126.9 -6.8 7.3 27.5 69 69 A F E -GF 176 235A 5 107,-1.3 107,-2.4 -2,-0.5 2,-0.4 -0.930 21.7-167.7-133.2 159.1 -3.5 9.2 26.8 70 70 A Q E -GF 175 234A 73 164,-2.2 164,-1.8 -2,-0.3 2,-0.5 -0.986 2.9-171.2-143.7 128.8 -0.2 10.0 28.4 71 71 A S E -GF 174 233A 0 103,-3.0 103,-2.6 -2,-0.4 2,-0.5 -0.986 4.9-174.3-125.4 122.5 2.4 12.5 27.3 72 72 A Q E +GF 173 232A 103 160,-2.8 160,-2.7 -2,-0.5 2,-0.3 -0.962 18.8 146.2-117.8 132.7 5.8 12.6 28.9 73 73 A F E -GF 172 231A 3 99,-2.2 99,-3.3 -2,-0.5 2,-0.4 -0.985 30.8-146.7-158.8 164.1 8.3 15.3 28.1 74 74 A S E +GF 171 230A 10 156,-1.5 155,-2.2 -2,-0.3 156,-1.2 -0.991 19.4 170.2-138.2 144.0 11.1 17.4 29.5 75 75 A F E -GF 170 228A 3 95,-1.5 95,-2.9 -2,-0.4 2,-0.3 -0.952 16.3-150.9-147.3 165.3 12.1 20.9 28.7 76 76 A S E - F 0 227A 15 151,-1.6 151,-2.3 -2,-0.3 2,-0.4 -0.988 6.9-149.0-140.9 148.1 14.4 23.7 30.0 77 77 A L E - F 0 226A 6 88,-0.5 90,-3.6 91,-0.4 2,-0.4 -0.958 14.8-176.2-119.5 136.2 14.3 27.4 29.8 78 78 A K E + F 0 225A 35 147,-0.7 147,-2.9 -2,-0.4 3,-0.1 -0.998 7.5 164.7-136.2 135.2 17.3 29.7 29.6 79 79 A S - 0 0 11 -2,-0.4 145,-0.1 145,-0.2 5,-0.1 -0.975 37.1-144.6-153.1 136.3 17.6 33.5 29.7 80 80 A P S S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 144,-0.1 0.799 93.6 60.4 -65.6 -29.4 20.3 36.1 30.2 81 81 A L S S- 0 0 51 142,-0.3 -2,-0.2 -3,-0.1 3,-0.1 0.313 88.9-123.4 -76.9-150.5 17.7 38.3 31.9 82 82 A S S S+ 0 0 91 1,-0.1 2,-0.4 84,-0.0 84,-0.1 0.469 99.3 54.6-135.5 -20.2 15.7 37.3 35.0 83 83 A N S S- 0 0 88 140,-0.1 2,-0.1 2,-0.0 140,-0.1 -0.635 76.9-178.1-117.8 69.3 12.1 37.6 33.9 84 84 A G - 0 0 0 -2,-0.4 2,-0.3 -3,-0.1 140,-0.2 -0.368 20.8-102.6 -69.1 148.3 12.2 35.4 30.8 85 85 A A - 0 0 0 -2,-0.1 139,-0.3 135,-0.1 2,-0.1 -0.916 49.5 -19.8-140.6 164.9 9.1 35.0 28.7 86 86 A D - 0 0 5 -2,-0.3 45,-1.2 137,-0.2 46,-0.9 -0.956 66.9-120.8-111.2 -20.1 6.7 33.8 27.7 87 87 A G E -TU 130 218B 0 131,-0.9 131,-1.4 43,-0.2 2,-0.3 -0.739 12.0-100.6 142.1 168.9 6.3 30.1 28.2 88 88 A I E -TU 129 217B 2 41,-1.4 41,-2.6 -2,-0.2 2,-0.4 -0.891 30.1-165.7-123.2 153.7 5.9 26.7 26.6 89 89 A A E -TU 128 216B 0 127,-2.8 127,-2.4 -2,-0.3 2,-0.5 -0.996 19.9-142.6-147.1 139.6 2.8 24.7 26.2 90 90 A F E -TU 127 215B 4 37,-2.4 37,-2.8 -2,-0.4 2,-0.3 -0.826 39.5-179.1 -91.9 133.5 1.8 21.1 25.4 91 91 A F E -TU 126 214B 2 123,-2.8 123,-2.1 -2,-0.5 2,-0.4 -0.957 31.6-152.1-141.6 162.2 -1.4 21.2 23.3 92 92 A I E +TU 125 213B 6 33,-2.6 33,-2.0 -2,-0.3 121,-0.2 -0.998 33.6 151.3-128.3 127.9 -4.1 19.2 21.6 93 93 A A E - 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