==== 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 11-APR-07 2PHF . 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) . 18687.0 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 . 49 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.1 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 0.000 360.0 360.0 360.0 143.7 -5.6 3.0 14.7 2 2 A D + 0 0 18 246,-2.1 235,-2.1 249,-0.2 2,-0.4 0.765 360.0 33.7 -75.9 -27.9 -7.3 2.4 18.1 3 3 A S E +AB 236 248A 38 245,-1.3 245,-2.2 233,-0.2 2,-0.3 -0.973 65.8 168.9-132.0 147.0 -3.8 2.7 19.7 4 4 A L E +AB 235 247A 6 231,-2.1 231,-2.4 -2,-0.4 2,-0.3 -0.981 1.7 166.2-154.5 140.2 -0.8 4.8 18.9 5 5 A S E +AB 234 246A 33 241,-2.5 241,-2.5 -2,-0.3 2,-0.3 -0.986 3.8 174.8-156.3 151.2 2.5 5.6 20.7 6 6 A F E -AB 233 245A 6 227,-2.1 227,-2.7 -2,-0.3 2,-0.4 -0.982 13.2-150.6-154.1 153.8 5.9 7.1 19.8 7 7 A G E -AB 232 244A 7 237,-2.0 236,-1.8 -2,-0.3 237,-1.3 -0.987 10.9-173.3-139.3 130.3 9.0 8.0 21.7 8 8 A F E +A 231 0A 2 223,-3.7 223,-2.2 -2,-0.4 3,-0.1 -0.870 5.9 175.9-116.3 91.5 11.6 10.7 21.2 9 9 A P S S- 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.867 81.6 -8.4 -62.6 -31.1 14.4 10.1 23.8 10 10 A T S S- 0 0 52 -3,-0.1 20,-0.2 221,-0.1 233,-0.2 -0.871 76.8-110.8-149.5 177.7 16.2 12.9 22.0 11 11 A F - 0 0 0 18,-2.3 18,-0.2 -2,-0.3 16,-0.1 -0.739 27.9-166.4-125.1 83.6 15.6 14.9 18.8 12 12 A P - 0 0 17 0, 0.0 14,-0.0 0, 0.0 3,-0.0 -0.260 34.7-110.1 -62.0 156.3 18.2 14.2 16.0 13 13 A S S S+ 0 0 105 1,-0.2 2,-1.5 13,-0.0 13,-0.2 0.728 102.4 77.1 -64.3 -24.5 18.2 16.7 13.2 14 14 A D + 0 0 54 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.517 65.3 167.0 -89.6 74.5 16.8 14.4 10.5 15 15 A Q + 0 0 29 -2,-1.5 -2,-0.0 1,-0.1 -4,-0.0 -0.623 18.4 170.2 -88.6 145.5 13.1 14.4 11.5 16 16 A K S S+ 0 0 106 -2,-0.3 -1,-0.1 280,-0.1 281,-0.1 0.612 74.3 48.1-122.6 -28.0 10.4 13.0 9.3 17 17 A N S S+ 0 0 3 279,-0.1 36,-3.0 278,-0.1 2,-0.4 0.153 88.0 97.6-105.7 20.1 7.2 12.9 11.4 18 18 A L E -R 52 0B 18 34,-0.2 2,-0.7 35,-0.1 34,-0.2 -0.905 58.7-148.8-112.9 136.0 7.3 16.4 12.9 19 19 A I E -R 51 0B 52 32,-3.0 32,-1.5 -2,-0.4 2,-0.4 -0.909 18.5-157.6-100.7 115.2 5.4 19.4 11.6 20 20 A F E -R 50 0B 79 -2,-0.7 2,-0.3 30,-0.2 30,-0.2 -0.814 12.9-178.8 -96.3 133.0 7.4 22.6 12.4 21 21 A Q E > -R 49 0B 31 28,-2.7 28,-2.2 -2,-0.4 3,-1.4 -0.968 51.0 -11.6-130.6 148.4 5.6 25.9 12.6 22 22 A G E 3 S-R 48 0B 56 -2,-0.3 26,-0.3 1,-0.2 12,-0.1 -0.421 126.0 -21.9 67.9-135.8 6.9 29.4 13.2 23 23 A D T 3 S+ 0 0 44 24,-3.0 -1,-0.2 10,-0.2 25,-0.2 0.364 94.9 133.0 -93.1 6.3 10.4 29.5 14.5 24 24 A A < + 0 0 9 -3,-1.4 2,-0.3 25,-0.2 9,-0.2 -0.315 25.8 150.3 -63.0 134.0 10.7 26.0 15.8 25 25 A Q E -C 32 0A 100 7,-1.9 7,-3.1 9,-0.1 2,-0.3 -0.992 45.4 -99.0-160.2 160.0 13.7 23.9 14.8 26 26 A I E +C 31 0A 25 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.660 41.6 162.8 -85.1 134.7 16.1 21.2 15.9 27 27 A K E > -C 30 0A 63 3,-2.6 3,-0.7 -2,-0.3 -16,-0.1 -0.910 65.0 -6.6-155.0 123.2 19.4 22.2 17.4 28 28 A N T 3 S- 0 0 153 -2,-0.3 3,-0.1 1,-0.2 -17,-0.1 0.918 126.2 -54.6 58.7 48.9 21.8 20.0 19.5 29 29 A N T 3 S+ 0 0 90 -18,-0.2 -18,-2.3 1,-0.2 2,-0.3 0.681 122.5 87.1 61.0 21.2 19.5 17.0 19.7 30 30 A A E < S-C 27 0A 10 -3,-0.7 -3,-2.6 -20,-0.2 2,-0.6 -0.941 81.6-106.3-142.8 162.7 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 -0.841 22.1-158.4 -97.0 119.7 13.8 21.1 19.8 32 32 A Q E -CD 25 227A 23 -7,-3.1 -7,-1.9 -2,-0.6 195,-0.2 -0.852 9.4-175.1 -95.1 101.4 14.2 24.9 20.2 33 33 A L + 0 0 0 193,-2.2 2,-0.3 -2,-1.0 -10,-0.2 0.883 67.8 46.4 -65.7 -39.8 10.7 26.1 20.0 34 34 A T S S- 0 0 1 192,-0.3 192,-0.2 -3,-0.1 -9,-0.1 -0.766 98.8 -91.3-106.5 153.1 11.6 29.8 20.1 35 35 A K - 0 0 94 -2,-0.3 8,-1.5 184,-0.1 2,-0.3 -0.180 37.5-172.0 -62.7 147.5 14.3 31.5 18.0 36 36 A T B -X 42 0C 21 6,-0.2 4,-0.0 1,-0.1 -4,-0.0 -0.956 20.8-117.8-136.1 152.9 17.9 32.0 19.3 37 37 A D > - 0 0 58 4,-2.9 3,-1.2 -2,-0.3 -1,-0.1 0.087 47.6 -76.0 -77.1-163.9 20.8 34.0 17.8 38 38 A S T 3 S+ 0 0 126 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.872 130.9 47.5 -64.3 -41.4 24.1 32.7 16.5 39 39 A N T 3 S- 0 0 117 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.117 124.0 -99.7 -89.7 22.1 25.6 32.1 19.9 40 40 A G S < S+ 0 0 38 -3,-1.2 -2,-0.1 1,-0.2 185,-0.1 0.634 74.3 144.2 73.7 16.5 22.5 30.3 21.2 41 41 A N - 0 0 57 1,-0.1 -4,-2.9 38,-0.0 -1,-0.2 -0.694 52.6-106.2 -93.3 142.7 20.9 33.2 23.1 42 42 A P B -X 36 0C 13 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.279 34.1-156.6 -63.3 144.0 17.1 33.8 23.2 43 43 A V - 0 0 40 -8,-1.5 181,-0.3 181,-0.2 3,-0.2 -0.827 16.3-106.3-122.6 161.4 15.6 36.6 21.2 44 44 A A S S+ 0 0 42 -2,-0.3 177,-0.2 1,-0.2 176,-0.2 -0.309 89.3 31.6 -81.4 167.3 12.4 38.6 21.5 45 45 A S S S+ 0 0 103 175,-2.7 2,-0.3 177,-0.2 175,-0.2 0.952 82.7 135.9 50.1 67.8 9.3 38.4 19.4 46 46 A T E + S 0 219B 4 173,-2.2 173,-2.3 -3,-0.2 2,-0.3 -0.991 28.6 179.6-147.9 134.9 9.4 34.7 18.5 47 47 A V E + S 0 218B 23 -2,-0.3 -24,-3.0 171,-0.2 2,-0.3 -0.970 9.5 166.6-131.7 147.0 6.8 31.9 18.4 48 48 A G E +RS 22 217B 0 169,-2.2 169,-2.0 -2,-0.3 2,-0.3 -0.978 7.1 179.8-160.2 148.1 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 -0.976 10.6-156.8-148.2 157.6 5.3 25.0 17.6 50 50 A I E -RS 20 215B 0 165,-2.2 165,-2.2 -2,-0.3 2,-0.3 -0.981 9.1-173.0-135.5 147.9 5.7 21.3 16.7 51 51 A L E -RS 19 214B 2 -32,-1.5 -32,-3.0 -2,-0.3 2,-0.3 -0.973 30.6-112.7-137.5 148.4 3.1 18.7 16.1 52 52 A F E -R 18 0B 0 161,-2.3 161,-0.2 -2,-0.3 -34,-0.2 -0.684 27.2-133.8 -81.6 139.0 3.4 15.0 15.5 53 53 A S S S+ 0 0 26 -36,-3.0 2,-0.2 -2,-0.3 -1,-0.1 0.883 82.3 81.3 -61.7 -43.6 2.3 14.2 11.9 54 54 A A S S- 0 0 0 -37,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.481 83.5-124.7 -69.2 131.1 0.1 11.2 12.6 55 55 A Q - 0 0 29 -2,-0.2 2,-0.4 157,-0.1 157,-0.2 -0.490 19.5-131.6 -75.6 145.0 -3.4 12.2 13.8 56 56 A V E -Y 211 0D 3 155,-3.1 155,-2.6 -2,-0.2 2,-1.3 -0.828 6.6-136.0-100.8 134.2 -4.6 10.8 17.2 57 57 A H E +Y 210 0D 10 -2,-0.4 153,-0.2 -56,-0.3 3,-0.1 -0.715 30.4 172.4 -90.6 91.2 -8.0 9.2 17.5 58 58 A L - 0 0 3 151,-1.4 9,-3.7 -2,-1.3 2,-0.3 0.845 63.1 -6.7 -68.6 -39.7 -9.2 10.8 20.8 59 59 A W E -E 66 0A 40 150,-1.4 2,-0.4 7,-0.3 7,-0.2 -0.987 55.9-145.6-155.4 161.0 -12.7 9.5 20.7 60 60 A E E >> -E 65 0A 14 5,-2.5 5,-1.5 -2,-0.3 4,-1.2 -0.964 2.0-164.6-135.7 114.7 -15.2 7.7 18.4 61 61 A K T 45S+ 0 0 163 -2,-0.4 -1,-0.1 1,-0.2 5,-0.0 0.798 88.9 64.6 -67.4 -28.1 -18.9 8.5 18.4 62 62 A S T 45S+ 0 0 115 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.933 117.9 21.6 -60.2 -50.6 -19.6 5.2 16.6 63 63 A S T 45S- 0 0 28 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.454 102.7-122.3 -98.7 -3.6 -18.4 2.9 19.5 64 64 A S T <5 + 0 0 82 -4,-1.2 176,-0.5 1,-0.2 2,-0.3 0.888 62.5 147.0 62.9 39.2 -18.8 5.5 22.2 65 65 A R E < -E 60 0A 21 -5,-1.5 -5,-2.5 174,-0.1 2,-0.4 -0.811 34.0-162.0-108.8 150.2 -15.2 5.1 23.2 66 66 A V E -EF 59 238A 11 172,-2.0 172,-1.7 -2,-0.3 -7,-0.3 -0.991 23.1-118.1-130.4 137.8 -12.8 7.8 24.5 67 67 A A E - F 0 237A 0 -9,-3.7 2,-0.4 -2,-0.4 170,-0.3 -0.473 13.0-146.8 -79.4 144.1 -9.0 7.5 24.5 68 68 A N E - F 0 236A 49 168,-2.4 168,-2.0 -2,-0.2 2,-0.3 -0.805 29.4-176.0 -98.5 146.7 -6.9 7.4 27.6 69 69 A F E -GF 176 235A 5 107,-1.6 107,-2.7 -2,-0.4 2,-0.4 -0.989 22.4-163.1-147.9 160.4 -3.6 9.1 26.9 70 70 A Q E -GF 175 234A 76 164,-2.2 164,-1.7 -2,-0.3 2,-0.5 -0.979 4.3-169.8-144.8 126.4 -0.3 9.9 28.5 71 71 A S E -GF 174 233A 0 103,-3.1 103,-2.8 -2,-0.4 2,-0.5 -0.979 5.7-174.3-121.6 122.7 2.3 12.4 27.5 72 72 A Q E +GF 173 232A 101 160,-2.9 160,-2.9 -2,-0.5 2,-0.3 -0.964 19.7 142.8-118.1 131.9 5.7 12.4 29.1 73 73 A F E -GF 172 231A 3 99,-2.2 99,-3.4 -2,-0.5 2,-0.3 -0.986 32.0-145.8-160.5 165.1 8.3 15.1 28.3 74 74 A S E +GF 171 230A 12 156,-1.6 155,-2.5 -2,-0.3 156,-1.3 -0.997 18.6 170.9-141.0 143.2 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 -0.939 16.1-150.0-144.6 165.7 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 -0.980 7.3-148.6-139.3 149.2 14.4 23.5 30.2 77 77 A L E - F 0 226A 6 88,-0.5 90,-3.7 91,-0.5 2,-0.4 -0.973 15.4-177.3-121.1 134.0 14.2 27.3 30.1 78 78 A K E + F 0 225A 35 147,-0.7 147,-3.0 -2,-0.4 3,-0.1 -0.997 7.2 164.0-134.9 136.6 17.3 29.5 29.9 79 79 A S - 0 0 9 -2,-0.4 5,-0.1 145,-0.2 145,-0.1 -0.971 37.9-144.1-154.6 135.6 17.5 33.3 29.9 80 80 A P S S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 144,-0.1 0.922 93.4 62.7 -61.7 -42.6 20.2 35.9 30.5 81 81 A L S S- 0 0 45 142,-0.2 -2,-0.2 -3,-0.1 3,-0.2 0.068 85.9-129.0 -69.1-173.2 17.6 38.1 32.1 82 82 A S S S+ 0 0 109 1,-0.1 -1,-0.1 84,-0.0 84,-0.0 0.341 99.1 64.1-121.3 -0.0 15.7 37.1 35.3 83 83 A N S S- 0 0 106 140,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.451 75.2-179.1-119.1 52.7 12.2 37.8 33.9 84 84 A G - 0 0 2 -3,-0.2 2,-0.3 -5,-0.1 140,-0.2 -0.247 20.4-115.7 -57.9 142.6 12.2 35.1 31.2 85 85 A A - 0 0 0 135,-0.1 139,-0.3 47,-0.1 2,-0.1 -0.950 45.1 -17.0-145.2 162.9 9.0 34.9 29.1 86 86 A D - 0 0 6 -2,-0.3 45,-1.3 137,-0.2 46,-0.9 -0.962 68.3-124.1-109.3 -20.2 6.6 33.7 28.0 87 87 A G E -TU 130 218B 0 131,-0.9 131,-1.4 43,-0.2 2,-0.3 -0.699 12.0 -96.5 139.7 169.1 6.3 30.0 28.5 88 88 A I E -TU 129 217B 2 41,-1.3 41,-2.4 -2,-0.2 2,-0.4 -0.890 30.4-165.0-121.8 151.6 5.9 26.6 26.9 89 89 A A E -TU 128 216B 0 127,-2.9 127,-2.4 -2,-0.3 2,-0.5 -0.998 19.5-143.8-143.4 141.5 2.7 24.5 26.5 90 90 A F E -TU 127 215B 3 37,-2.4 37,-2.8 -2,-0.4 2,-0.3 -0.869 39.2-179.1 -94.6 130.5 1.7 21.0 25.6 91 91 A F E -TU 126 214B 0 123,-2.3 123,-2.1 -2,-0.5 2,-0.4 -0.949 31.0-154.4-139.5 160.0 -1.4 21.1 23.5 92 92 A I E +TU 125 213B 5 33,-2.7 33,-1.9 -2,-0.3 121,-0.2 -0.996 34.2 147.5-127.2 130.1 -4.1 19.1 21.8 93 93 A A E - 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