==== 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 2PHU . 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) . 18490.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 68.5 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 . 209 43.5 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 . 41 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.3 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 8 0 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 7 0, 0.0 56,-0.3 0, 0.0 248,-0.2 0.000 360.0 360.0 360.0 143.6 -5.6 3.0 14.7 2 2 A D + 0 0 16 246,-1.9 235,-2.0 1,-0.2 2,-0.4 0.765 360.0 32.9 -73.9 -27.9 -7.2 2.4 18.0 3 3 A S E +AB 236 248A 38 245,-1.2 245,-2.0 233,-0.2 2,-0.3 -0.992 65.9 177.0-134.4 140.9 -3.8 2.8 19.7 4 4 A L E +AB 235 247A 5 231,-2.0 231,-2.3 -2,-0.4 2,-0.3 -0.997 3.7 172.7-141.5 142.1 -0.8 4.9 18.8 5 5 A S E +AB 234 246A 36 241,-2.7 241,-2.8 -2,-0.3 2,-0.3 -0.994 2.9 164.2-152.9 142.3 2.5 5.3 20.6 6 6 A F E -AB 233 245A 0 227,-2.4 227,-2.8 -2,-0.3 2,-0.4 -0.986 13.6-159.0-155.0 154.6 5.8 7.0 19.8 7 7 A G E -AB 232 244A 6 237,-1.9 236,-1.5 -2,-0.3 237,-1.3 -0.978 10.6-168.7-146.5 131.3 8.9 8.1 21.7 8 8 A F E +A 231 0A 3 223,-3.6 223,-1.8 -2,-0.4 3,-0.1 -0.860 5.3 179.1-114.5 91.2 11.7 10.6 21.2 9 9 A P S S- 0 0 76 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.916 82.1 -9.7 -57.0 -38.6 14.4 10.0 23.8 10 10 A T S S- 0 0 60 -3,-0.1 20,-0.2 220,-0.1 233,-0.2 -0.804 78.2-108.4-142.8-178.2 16.2 12.9 22.0 11 11 A F - 0 0 0 18,-2.4 18,-0.2 -2,-0.2 19,-0.1 -0.717 29.1-165.9-125.3 82.0 15.6 14.9 18.8 12 12 A P - 0 0 17 0, 0.0 14,-0.0 0, 0.0 15,-0.0 -0.250 33.4-111.8 -60.6 155.1 18.2 14.1 16.1 13 13 A S S S+ 0 0 104 1,-0.2 2,-1.6 13,-0.1 13,-0.2 0.722 101.1 78.3 -65.2 -24.2 18.2 16.7 13.2 14 14 A D + 0 0 52 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.543 65.7 169.3 -88.9 77.2 16.8 14.3 10.5 15 15 A Q + 0 0 28 -2,-1.6 -2,-0.0 1,-0.1 -4,-0.0 -0.656 18.4 169.2 -90.0 142.5 13.1 14.4 11.5 16 16 A K S S+ 0 0 104 -2,-0.3 -1,-0.1 280,-0.1 281,-0.1 0.653 74.4 45.7-119.8 -31.3 10.4 13.0 9.3 17 17 A N S S+ 0 0 2 279,-0.1 36,-2.9 278,-0.1 2,-0.4 0.140 88.6 97.3-105.5 20.7 7.2 12.9 11.4 18 18 A L E -R 52 0B 17 34,-0.2 2,-0.7 35,-0.1 34,-0.2 -0.913 59.5-147.4-112.5 135.8 7.3 16.4 12.9 19 19 A I E -R 51 0B 55 32,-3.2 32,-1.5 -2,-0.4 2,-0.5 -0.904 17.8-157.7-100.1 114.0 5.4 19.4 11.6 20 20 A F E +R 50 0B 80 -2,-0.7 2,-0.3 30,-0.2 30,-0.2 -0.812 13.5 179.7 -95.0 129.6 7.4 22.5 12.4 21 21 A Q E > -R 49 0B 31 28,-2.7 28,-2.2 -2,-0.5 3,-1.3 -0.959 51.9 -9.8-128.6 148.1 5.5 25.8 12.5 22 22 A G E 3 S-R 48 0B 56 -2,-0.3 26,-0.3 26,-0.2 12,-0.1 -0.443 126.2 -23.1 68.9-136.6 6.8 29.3 13.2 23 23 A D T 3 S+ 0 0 49 24,-3.1 -1,-0.2 10,-0.2 25,-0.2 0.371 94.1 133.1 -93.1 5.7 10.4 29.4 14.4 24 24 A A < + 0 0 9 -3,-1.3 2,-0.3 25,-0.2 9,-0.2 -0.275 25.7 150.7 -61.0 136.8 10.7 25.9 15.8 25 25 A Q E -C 32 0A 95 7,-1.6 7,-3.0 9,-0.1 2,-0.3 -0.990 45.2 -97.5-162.9 159.2 13.8 23.9 14.8 26 26 A I E +C 31 0A 27 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.641 41.9 162.9 -84.0 135.2 16.1 21.1 15.9 27 27 A K E > -C 30 0A 50 3,-2.8 3,-1.0 -2,-0.3 -16,-0.1 -0.936 65.5 -5.2-153.8 127.5 19.5 22.1 17.5 28 28 A N T 3 S- 0 0 155 -2,-0.3 3,-0.1 1,-0.2 -17,-0.1 0.928 126.7 -56.5 53.9 51.3 21.8 20.0 19.6 29 29 A N T 3 S+ 0 0 100 -18,-0.2 -18,-2.4 1,-0.2 2,-0.3 0.716 122.7 92.1 54.9 25.3 19.5 17.0 19.6 30 30 A A E < S-C 27 0A 10 -3,-1.0 -3,-2.8 -20,-0.2 2,-0.6 -0.925 80.4-108.7-140.3 163.5 16.7 19.1 21.2 31 31 A V E -CD 26 228A 0 197,-2.9 197,-2.8 -2,-0.3 2,-1.0 -0.871 21.4-159.0-100.1 117.9 13.8 21.1 19.8 32 32 A Q E -CD 25 227A 22 -7,-3.0 -7,-1.6 -2,-0.6 195,-0.2 -0.831 8.4-174.4 -94.2 99.7 14.2 24.9 20.2 33 33 A L + 0 0 0 193,-2.3 2,-0.3 -2,-1.0 -10,-0.2 0.866 68.0 48.1 -63.6 -37.8 10.6 26.1 20.0 34 34 A T S S- 0 0 1 192,-0.4 192,-0.2 -3,-0.1 -9,-0.1 -0.792 98.4 -92.9-108.0 150.4 11.6 29.8 20.0 35 35 A K - 0 0 81 -2,-0.3 8,-1.5 184,-0.1 2,-0.3 -0.214 38.4-172.8 -61.1 143.3 14.3 31.5 17.9 36 36 A T B -X 42 0C 20 6,-0.2 4,-0.0 -4,-0.1 -4,-0.0 -0.939 22.4-115.9-132.8 153.7 17.8 32.0 19.2 37 37 A D > - 0 0 61 4,-2.9 3,-1.2 -2,-0.3 -1,-0.1 -0.015 46.0 -81.1 -76.9-169.1 20.7 33.9 17.7 38 38 A S T 3 S+ 0 0 108 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.942 128.8 51.5 -61.5 -52.4 24.0 32.4 16.5 39 39 A N T 3 S- 0 0 120 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.264 124.7-102.1 -72.6 16.5 25.7 32.1 19.8 40 40 A G S < S+ 0 0 43 -3,-1.2 -2,-0.1 1,-0.2 -1,-0.1 0.605 73.5 142.2 77.3 14.9 22.6 30.3 21.0 41 41 A N - 0 0 59 1,-0.1 -4,-2.9 183,-0.0 -1,-0.2 -0.646 53.7-103.2 -93.5 148.4 20.9 33.1 23.0 42 42 A P B -X 36 0C 13 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.268 35.3-156.6 -64.5 148.0 17.1 33.7 23.2 43 43 A V - 0 0 36 -8,-1.5 181,-0.3 181,-0.2 3,-0.2 -0.867 17.3-103.4-126.4 160.5 15.6 36.6 21.2 44 44 A A S S+ 0 0 43 -2,-0.3 177,-0.2 1,-0.2 176,-0.2 -0.275 90.3 28.6 -78.5 166.3 12.4 38.6 21.5 45 45 A S S S+ 0 0 104 175,-2.2 2,-0.3 177,-0.2 175,-0.2 0.937 82.4 137.6 48.8 67.3 9.3 38.4 19.4 46 46 A T E - S 0 219B 3 173,-2.1 173,-2.0 -3,-0.2 2,-0.3 -0.997 28.2-178.7-144.8 136.1 9.4 34.7 18.5 47 47 A V E + S 0 218B 23 -2,-0.3 -24,-3.1 171,-0.2 2,-0.3 -0.975 10.2 166.3-131.6 145.4 6.8 31.9 18.3 48 48 A G E +RS 22 217B 0 169,-2.2 169,-2.1 -2,-0.3 2,-0.3 -0.984 6.8 177.2-158.9 149.1 7.2 28.3 17.4 49 49 A R E -RS 21 216B 1 -28,-2.2 -28,-2.7 -2,-0.3 2,-0.3 -0.979 10.9-157.3-150.9 158.6 5.3 25.0 17.6 50 50 A I E -RS 20 215B 0 165,-2.0 165,-1.9 -2,-0.3 2,-0.3 -0.984 8.1-171.6-137.7 147.4 5.7 21.3 16.6 51 51 A L E -RS 19 214B 2 -32,-1.5 -32,-3.2 -2,-0.3 2,-0.3 -0.985 30.5-112.5-137.4 146.9 3.1 18.6 16.0 52 52 A F E -R 18 0B 0 161,-2.1 161,-0.2 -2,-0.3 -34,-0.2 -0.619 28.3-133.5 -76.7 140.3 3.4 14.9 15.4 53 53 A S S S+ 0 0 28 -36,-2.9 -1,-0.1 -2,-0.3 2,-0.1 0.885 81.8 81.9 -64.7 -41.9 2.3 14.1 11.9 54 54 A A S S- 0 0 0 -37,-0.3 2,-0.3 1,-0.1 -2,-0.1 -0.438 83.6-122.6 -68.6 137.7 0.1 11.2 12.7 55 55 A Q - 0 0 31 -2,-0.1 2,-0.5 157,-0.1 157,-0.2 -0.589 19.7-132.2 -81.8 141.3 -3.4 12.1 13.8 56 56 A V E -Y 211 0D 3 155,-3.2 155,-2.5 -2,-0.3 2,-1.4 -0.812 7.5-136.7 -97.5 129.4 -4.6 10.8 17.2 57 57 A H E +Y 210 0D 11 -2,-0.5 153,-0.2 -56,-0.3 3,-0.1 -0.703 30.2 173.0 -85.9 93.6 -8.0 9.2 17.5 58 58 A L - 0 0 3 151,-1.8 9,-3.5 -2,-1.4 2,-0.3 0.833 63.0 -5.3 -71.7 -38.3 -9.1 10.9 20.7 59 59 A W E -E 66 0A 41 150,-1.3 2,-0.5 7,-0.3 -1,-0.2 -0.986 56.1-146.7-158.0 154.5 -12.7 9.5 20.6 60 60 A E E >> -E 65 0A 12 5,-2.6 5,-1.7 -2,-0.3 4,-1.0 -0.974 2.4-164.8-129.1 115.1 -15.0 7.6 18.4 61 61 A K T >45S+ 0 0 104 -2,-0.5 3,-0.7 1,-0.2 -1,-0.1 0.936 86.8 59.9 -64.3 -48.9 -18.8 8.3 18.4 62 62 A S T 345S+ 0 0 111 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.822 119.6 28.9 -50.2 -36.6 -19.9 5.1 16.6 63 63 A S T 345S- 0 0 48 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.499 102.9-126.9-103.5 -6.7 -18.4 3.0 19.4 64 64 A S T <<5 + 0 0 81 -4,-1.0 176,-0.5 -3,-0.7 2,-0.3 0.821 60.1 146.9 64.7 30.9 -18.8 5.5 22.2 65 65 A R E < -E 60 0A 50 -5,-1.7 -5,-2.6 174,-0.1 2,-0.4 -0.738 33.1-165.6-102.7 150.7 -15.2 5.2 23.1 66 66 A V E -EF 59 238A 11 172,-2.0 172,-2.0 -2,-0.3 -7,-0.3 -0.984 24.4-115.9-131.2 141.5 -12.8 7.8 24.4 67 67 A A E - F 0 237A 0 -9,-3.5 2,-0.5 -2,-0.4 170,-0.3 -0.491 11.5-145.2 -81.3 146.1 -9.0 7.4 24.5 68 68 A N E - F 0 236A 57 168,-2.7 168,-2.2 -2,-0.2 2,-0.3 -0.904 31.9-176.1-101.3 134.3 -6.9 7.3 27.6 69 69 A F E -GF 176 235A 6 107,-1.3 107,-2.6 -2,-0.5 2,-0.4 -0.939 21.4-164.7-136.2 161.3 -3.6 9.1 26.8 70 70 A Q E -GF 175 234A 73 164,-2.3 164,-1.8 -2,-0.3 2,-0.5 -0.974 3.3-170.5-145.3 126.6 -0.3 9.8 28.5 71 71 A S E -GF 174 233A 0 103,-3.1 103,-3.0 -2,-0.4 2,-0.4 -0.981 5.3-175.1-122.2 126.8 2.3 12.3 27.4 72 72 A Q E +GF 173 232A 99 160,-3.1 160,-3.5 -2,-0.5 2,-0.3 -0.979 19.1 141.6-122.9 132.2 5.7 12.4 29.1 73 73 A F E -GF 172 231A 2 99,-2.3 99,-3.5 -2,-0.4 2,-0.3 -0.984 31.9-144.6-161.1 166.2 8.3 15.0 28.3 74 74 A S E +GF 171 230A 18 156,-1.6 155,-2.2 -2,-0.3 156,-1.2 -0.988 19.2 170.7-140.0 147.1 11.0 17.3 29.7 75 75 A F E -GF 170 228A 3 95,-1.4 95,-3.0 -2,-0.3 2,-0.3 -0.956 16.5-149.2-148.9 165.9 12.1 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 -0.987 8.0-147.2-139.9 148.5 14.4 23.5 30.2 77 77 A L E - F 0 226A 5 91,-0.5 90,-3.6 88,-0.5 2,-0.4 -0.945 15.3-174.6-117.7 137.6 14.2 27.3 30.0 78 78 A K E + F 0 225A 34 147,-0.8 147,-3.1 -2,-0.4 3,-0.1 -0.997 9.1 162.1-135.3 137.9 17.2 29.6 29.8 79 79 A S - 0 0 10 -2,-0.4 5,-0.1 145,-0.2 145,-0.1 -0.946 39.2-143.3-158.3 133.8 17.5 33.3 29.8 80 80 A P S S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.824 94.5 63.4 -62.2 -31.7 20.2 35.9 30.5 81 81 A L S S- 0 0 40 142,-0.3 3,-0.3 -3,-0.1 -2,-0.1 -0.342 84.2-131.8 -86.7 172.1 17.5 38.0 32.2 82 82 A S S S+ 0 0 109 1,-0.2 -1,-0.1 -2,-0.1 84,-0.0 0.410 99.4 65.9-104.6 -1.5 15.6 37.0 35.3 83 83 A N S S+ 0 0 104 140,-0.1 -1,-0.2 2,-0.0 48,-0.0 -0.288 75.0 178.1-112.8 43.5 12.2 37.8 33.9 84 84 A G - 0 0 1 -3,-0.3 2,-0.3 -5,-0.1 140,-0.2 -0.135 20.6-116.1 -51.5 140.3 12.1 35.1 31.2 85 85 A A - 0 0 0 135,-0.1 139,-0.3 47,-0.1 2,-0.1 -0.940 45.9 -16.3-142.1 162.1 9.0 34.9 29.0 86 86 A D - 0 0 5 -2,-0.3 45,-1.0 137,-0.2 46,-0.8 -0.976 67.6-123.4-112.8 -14.7 6.6 33.7 28.0 87 87 A G E -TU 130 218B 0 131,-0.8 131,-1.2 43,-0.2 2,-0.3 -0.648 12.9 -97.9 135.5 168.2 6.3 29.9 28.5 88 88 A I E -TU 129 217B 1 41,-1.3 41,-2.5 -2,-0.2 2,-0.4 -0.883 30.2-164.9-122.4 152.7 5.9 26.6 26.8 89 89 A A E -TU 128 216B 0 127,-2.7 127,-2.2 -2,-0.3 2,-0.5 -0.995 20.1-143.5-146.1 140.4 2.7 24.5 26.4 90 90 A F E +TU 127 215B 3 37,-2.4 37,-2.9 -2,-0.4 2,-0.3 -0.844 39.3 179.5 -92.3 130.4 1.7 21.0 25.5 91 91 A F E -TU 126 214B 1 123,-2.5 123,-2.2 -2,-0.5 2,-0.4 -0.946 30.6-153.6-139.3 162.3 -1.5 21.1 23.5 92 92 A I E +TU 125 213B 5 33,-2.6 33,-2.0 -2,-0.3 121,-0.2 -0.999 33.1 150.2-129.8 128.4 -4.1 19.1 21.7 93 93 A A E - 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