==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 09-APR-06 2GN7 . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PTEROCARPUS ANGOLENSIS; . AUTHOR A.GARCIA-PINO,L.BUTS,L.WYNS,R.LORIS . 454 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17570.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 203 44.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 53 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 1 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 . 6 10 2 0 2 9 5 1 0 0 1 0 1 0 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 1 1 0 0 0 0 0 0 0 0 0 0 1 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 4 0, 0.0 56,-0.6 0, 0.0 234,-0.2 0.000 360.0 360.0 360.0 121.5 19.9 -6.3 -24.1 2 2 A D + 0 0 16 232,-1.0 222,-2.3 235,-0.2 2,-0.4 0.805 360.0 36.5 -56.3 -27.6 17.4 -9.2 -24.3 3 3 A S E +AB 223 234A 41 231,-1.1 231,-2.0 220,-0.2 2,-0.3 -0.993 69.6 176.6-133.2 127.5 18.3 -9.7 -20.7 4 4 A L E +AB 222 233A 2 218,-2.3 218,-3.6 -2,-0.4 2,-0.3 -0.921 8.0 168.3-123.7 149.8 19.1 -7.0 -18.2 5 5 A S E +AB 221 232A 34 227,-1.9 227,-3.4 -2,-0.3 2,-0.3 -0.917 1.5 159.3-166.0 135.1 19.9 -7.7 -14.5 6 6 A F E -AB 220 231A 4 214,-3.0 214,-3.0 -2,-0.3 2,-0.4 -0.990 16.1-157.3-158.4 155.2 21.3 -5.7 -11.6 7 7 A G E -AB 219 230A 7 223,-2.2 223,-2.0 -2,-0.3 222,-1.1 -0.990 8.9-167.2-144.9 134.6 21.4 -5.7 -7.8 8 8 A F E -A 218 0A 2 210,-2.6 210,-1.8 -2,-0.4 3,-0.1 -0.882 1.9-176.4-117.3 96.4 22.0 -3.1 -5.1 9 9 A P S S- 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.869 82.5 -9.1 -58.7 -29.8 22.6 -4.8 -1.8 10 10 A T S S- 0 0 60 -3,-0.1 219,-0.2 208,-0.1 20,-0.2 -0.933 72.3-111.4-155.6 172.2 22.6 -1.2 -0.6 11 11 A F - 0 0 0 18,-2.7 19,-0.2 -2,-0.3 16,-0.1 -0.727 36.1-172.7-116.7 79.5 22.6 2.3 -1.9 12 12 A P - 0 0 11 0, 0.0 3,-0.2 0, 0.0 18,-0.1 0.244 41.5 -95.4 -56.0-170.8 26.0 4.0 -1.1 13 13 A S S S+ 0 0 114 1,-0.2 2,-1.0 16,-0.1 13,-0.1 0.753 111.2 67.8 -84.6 -22.5 26.6 7.7 -1.8 14 14 A D + 0 0 52 2,-0.0 2,-0.5 0, 0.0 -1,-0.2 -0.569 61.7 160.5-101.3 74.9 28.2 7.2 -5.2 15 15 A Q + 0 0 25 -2,-1.0 3,-0.2 -3,-0.2 11,-0.0 -0.812 12.5 172.2 -96.6 127.9 25.4 6.0 -7.5 16 16 A K S S+ 0 0 97 -2,-0.5 -1,-0.1 1,-0.1 267,-0.0 0.600 72.9 54.4-105.7 -17.0 26.0 6.4 -11.2 17 17 A N S S+ 0 0 2 264,-0.1 36,-1.4 265,-0.1 2,-0.5 -0.031 84.2 95.9-110.3 30.3 23.0 4.4 -12.6 18 18 A L B -S 52 0B 15 34,-0.2 2,-1.2 -3,-0.2 34,-0.2 -0.976 60.9-146.8-125.9 127.4 20.1 6.1 -10.9 19 19 A I - 0 0 58 32,-2.8 2,-0.4 -2,-0.5 32,-0.2 -0.755 22.8-154.2 -91.2 94.0 18.0 8.9 -12.4 20 20 A F + 0 0 80 -2,-1.2 2,-0.3 30,-0.2 30,-0.2 -0.574 18.8 175.2 -74.2 124.1 17.1 10.9 -9.4 21 21 A Q E > -T 49 0C 28 28,-2.3 28,-2.0 -2,-0.4 3,-1.2 -0.936 51.2 -3.5-127.6 150.9 13.9 12.8 -9.8 22 22 A G E 3 S-T 48 0C 53 -2,-0.3 26,-0.3 1,-0.2 12,-0.1 -0.503 123.8 -33.8 71.3-134.0 12.0 14.9 -7.3 23 23 A D T 3 S+ 0 0 65 24,-2.0 -1,-0.2 10,-0.4 25,-0.2 0.395 92.5 132.8-104.5 1.6 13.5 14.9 -3.8 24 24 A A < + 0 0 7 -3,-1.2 2,-0.2 23,-0.2 9,-0.2 -0.344 27.9 151.1 -58.2 122.1 14.8 11.3 -3.8 25 25 A Q E -C 32 0A 42 7,-1.2 7,-3.3 9,-0.2 2,-0.4 -0.826 44.3 -91.7-141.3 179.0 18.4 11.2 -2.6 26 26 A I E +C 31 0A 33 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.845 43.5 155.6-105.9 137.7 20.8 8.9 -0.8 27 27 A K + 0 0 78 3,-2.6 3,-0.2 -2,-0.4 -16,-0.1 -0.918 68.4 8.3-158.3 129.4 21.3 8.7 3.0 28 28 A N S S- 0 0 144 -2,-0.3 -17,-0.1 1,-0.2 3,-0.1 0.903 128.8 -63.4 64.1 42.1 22.5 5.8 5.2 29 29 A N S S+ 0 0 92 1,-0.2 -18,-2.7 -19,-0.1 2,-0.3 0.853 120.2 97.6 48.1 44.2 23.3 3.8 2.1 30 30 A A S S- 0 0 4 -20,-0.2 -3,-2.6 -19,-0.2 2,-0.7 -0.955 80.4 -99.4-150.5 163.5 19.7 3.8 1.2 31 31 A V E -CD 26 215A 0 184,-3.0 184,-2.6 -2,-0.3 2,-1.6 -0.811 19.8-157.9 -97.6 116.6 17.3 5.8 -1.1 32 32 A Q E +CD 25 214A 11 -7,-3.3 -7,-1.2 -2,-0.7 182,-0.2 -0.664 15.2 177.9 -89.6 80.1 15.2 8.4 0.6 33 33 A L S S+ 0 0 0 180,-1.8 -10,-0.4 -2,-1.6 2,-0.3 0.904 74.2 43.0 -49.4 -45.1 12.5 8.6 -2.1 34 34 A T S S- 0 0 0 179,-0.6 -9,-0.2 -3,-0.2 2,-0.2 -0.708 105.0 -99.8 -98.4 155.2 10.7 11.1 0.1 35 35 A K - 0 0 96 -2,-0.3 8,-1.3 9,-0.1 2,-0.3 -0.467 33.8-168.4 -85.7 149.4 12.7 13.9 1.7 36 36 A T B -Z 42 0D 12 6,-0.2 2,-0.1 -2,-0.2 -4,-0.0 -0.796 22.3-108.4-122.6 166.0 13.9 14.0 5.3 37 37 A D > - 0 0 53 4,-2.0 3,-2.7 -2,-0.3 -1,-0.1 -0.210 44.9 -84.8 -86.9-179.2 15.4 16.8 7.4 38 38 A S T 3 S+ 0 0 122 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.647 134.4 52.8 -61.2 -13.7 18.9 17.3 8.7 39 39 A N T 3 S- 0 0 121 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.406 122.3-110.6 -99.7 -2.1 17.8 15.0 11.6 40 40 A G S < S+ 0 0 36 -3,-2.7 -2,-0.1 1,-0.3 -13,-0.0 0.703 71.0 139.8 80.4 21.9 16.7 12.4 9.1 41 41 A N - 0 0 78 1,-0.1 -4,-2.0 170,-0.0 -1,-0.3 -0.788 56.6-105.2-101.3 142.6 13.0 12.8 9.8 42 42 A P B -Z 36 0D 9 0, 0.0 2,-0.2 0, 0.0 -6,-0.2 -0.209 39.1-166.0 -61.3 151.9 10.2 12.8 7.2 43 43 A V - 0 0 36 -8,-1.3 168,-0.4 168,-0.3 3,-0.1 -0.682 18.1 -91.4-128.9-176.0 8.7 16.1 6.2 44 44 A A S S+ 0 0 35 -2,-0.2 164,-0.2 1,-0.2 163,-0.2 -0.284 87.2 30.4 -95.3 179.3 5.6 17.4 4.3 45 45 A S S S+ 0 0 74 162,-2.0 2,-0.3 1,-0.1 162,-0.2 0.889 85.7 127.5 35.7 79.8 4.8 18.3 0.7 46 46 A T E - U 0 206C 9 160,-2.2 160,-2.5 -3,-0.1 2,-0.3 -0.954 35.0-179.3-165.4 142.6 7.2 16.0 -1.2 47 47 A V E + U 0 205C 14 -2,-0.3 -24,-2.0 158,-0.2 2,-0.3 -0.981 12.0 177.7-138.8 146.0 7.6 13.4 -3.9 48 48 A G E +TU 22 204C 0 156,-2.0 156,-1.5 -2,-0.3 2,-0.3 -0.985 4.0 173.3-154.4 142.0 10.6 11.4 -5.1 49 49 A R E -TU 21 203C 2 -28,-2.0 -28,-2.3 -2,-0.3 2,-0.3 -0.920 11.7-156.2-142.1 165.6 11.5 8.7 -7.6 50 50 A I E - U 0 202C 0 152,-1.8 152,-0.7 -2,-0.3 2,-0.3 -0.971 7.0-162.9-141.3 155.0 14.5 6.9 -9.0 51 51 A L E - U 0 201C 2 -2,-0.3 -32,-2.8 150,-0.2 2,-0.8 -0.982 26.2-116.8-140.3 150.8 15.1 5.1 -12.2 52 52 A F B -S 18 0B 0 148,-2.2 148,-0.3 -2,-0.3 -34,-0.2 -0.811 27.2-138.1 -90.7 111.6 17.7 2.7 -13.5 53 53 A S S S+ 0 0 26 -36,-1.4 -1,-0.2 -2,-0.8 2,-0.1 0.827 84.5 79.3 -30.2 -62.6 19.5 4.4 -16.4 54 54 A A S S- 0 0 0 -37,-0.1 146,-0.4 -3,-0.1 -2,-0.1 -0.336 85.1-130.6 -57.7 124.3 19.6 1.3 -18.5 55 55 A Q - 0 0 25 144,-0.1 2,-0.5 -2,-0.1 144,-0.3 -0.403 15.2-130.8 -75.0 154.0 16.2 0.8 -20.1 56 56 A V E -A 198 0E 2 142,-4.2 142,-2.9 -2,-0.1 2,-1.2 -0.934 9.2-133.6-112.1 128.4 14.6 -2.6 -19.9 57 57 A H E -A 197 0E 10 -56,-0.6 140,-0.2 -2,-0.5 139,-0.1 -0.689 26.8-179.2 -82.0 100.7 13.3 -4.3 -23.0 58 58 A L - 0 0 2 138,-2.7 9,-3.4 -2,-1.2 2,-0.3 0.708 60.9 -18.4 -75.7 -23.9 9.9 -5.4 -21.7 59 59 A W E -E 66 0A 35 137,-0.8 2,-0.3 7,-0.3 7,-0.3 -0.965 56.0-131.5-171.1 170.1 8.7 -7.1 -24.9 60 60 A E E >> -E 65 0A 19 5,-4.0 5,-1.1 -2,-0.3 4,-0.8 -0.775 5.6-167.5-144.8 97.2 9.3 -7.2 -28.6 61 61 A K T 45S+ 0 0 156 -2,-0.3 -1,-0.1 3,-0.2 5,-0.1 0.765 92.5 62.2 -50.4 -26.2 6.5 -6.9 -31.2 62 62 A S T 45S+ 0 0 103 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 1.000 119.0 20.4 -63.8 -72.4 9.1 -8.0 -33.7 63 63 A S T 45S- 0 0 27 1,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.291 106.9-127.0 -79.3 11.1 9.9 -11.5 -32.2 64 64 A S T <5 + 0 0 84 -4,-0.8 -3,-0.2 1,-0.2 2,-0.1 0.677 61.0 151.1 49.9 18.6 6.5 -11.1 -30.6 65 65 A R E < -E 60 0A 30 -5,-1.1 -5,-4.0 -6,-0.0 2,-0.4 -0.374 37.9-149.9 -80.2 158.0 8.4 -11.9 -27.4 66 66 A V E -EF 59 225A 14 159,-1.4 159,-2.0 -7,-0.3 -7,-0.3 -0.988 23.1-114.1-128.7 135.4 7.6 -10.7 -23.9 67 67 A A E - F 0 224A 0 -9,-3.4 2,-0.9 -2,-0.4 157,-0.3 -0.489 17.4-151.5 -72.2 133.8 10.2 -10.1 -21.1 68 68 A N E + F 0 223A 51 155,-3.4 155,-0.6 -2,-0.2 96,-0.2 -0.843 35.1 164.3-104.4 92.6 10.0 -12.4 -18.1 69 69 A F E - F 0 222A 4 -2,-0.9 94,-0.6 153,-0.2 153,-0.3 -0.115 26.6-157.4-100.4-163.5 11.4 -10.3 -15.3 70 70 A Q E -GF 162 221A 96 151,-1.4 151,-2.0 92,-0.2 2,-0.4 -0.832 3.4-167.2-174.9 133.9 11.6 -10.2 -11.6 71 71 A S E +GF 161 220A 0 90,-3.6 90,-2.6 -2,-0.2 2,-0.3 -0.941 6.7 177.9-139.4 117.9 12.1 -7.5 -9.0 72 72 A Q E +GF 160 219A 81 147,-2.3 147,-2.1 -2,-0.4 2,-0.3 -0.782 15.1 143.2-112.0 159.9 12.9 -7.8 -5.3 73 73 A F E -GF 159 218A 2 86,-2.0 86,-3.7 -2,-0.3 2,-0.3 -0.967 31.1-131.3-179.8 168.8 13.5 -5.0 -2.8 74 74 A S E +GF 158 217A 20 143,-1.2 142,-2.7 -2,-0.3 143,-0.9 -0.994 20.7 167.7-141.5 145.8 13.0 -3.8 0.7 75 75 A F E -GF 157 215A 1 82,-0.9 82,-1.9 -2,-0.3 2,-0.3 -0.982 14.9-157.4-151.2 159.6 11.9 -0.6 2.4 76 76 A S E - F 0 214A 12 138,-1.0 138,-1.7 -2,-0.3 2,-0.4 -0.863 13.7-141.5-131.3 164.7 10.8 0.6 5.8 77 77 A L E - F 0 213A 7 75,-0.3 77,-1.1 78,-0.3 2,-0.4 -0.934 16.5-177.7-138.9 116.6 8.7 3.7 6.7 78 78 A K E + F 0 212A 68 134,-0.6 134,-1.7 -2,-0.4 3,-0.0 -0.921 12.7 149.6-117.8 140.5 9.2 6.0 9.7 79 79 A S - 0 0 13 -2,-0.4 5,-0.1 132,-0.3 132,-0.1 -0.968 48.7-130.8-160.1 145.1 7.2 9.0 10.8 80 80 A P S S+ 0 0 99 0, 0.0 2,-0.1 0, 0.0 131,-0.1 0.725 90.5 91.8 -70.8 -18.3 6.5 10.6 14.2 81 81 A L S S- 0 0 49 129,-0.2 3,-0.5 1,-0.1 -2,-0.2 -0.393 72.1-147.6 -76.8 150.5 2.9 10.4 12.9 82 82 A S S S+ 0 0 121 1,-0.2 -1,-0.1 -2,-0.1 71,-0.1 0.719 103.5 43.0 -88.3 -23.7 0.6 7.5 13.7 83 83 A N S S+ 0 0 95 2,-0.0 -1,-0.2 42,-0.0 42,-0.2 -0.115 83.3 170.6-111.9 35.2 -1.1 8.0 10.3 84 84 A G - 0 0 1 -3,-0.5 2,-0.3 -5,-0.1 127,-0.2 -0.042 25.2-119.4 -44.6 148.1 2.0 8.6 8.2 85 85 A A - 0 0 2 125,-0.3 2,-0.1 39,-0.1 -4,-0.1 -0.872 41.7 -0.9-147.7 175.7 1.3 8.6 4.5 86 86 A D - 0 0 13 -2,-0.3 37,-2.3 120,-0.1 38,-1.4 -0.948 65.8-125.8-109.1 -20.4 1.1 8.2 1.6 87 87 A G E -VW 122 205C 0 118,-1.1 118,-1.2 35,-0.3 2,-0.3 -0.660 9.0 -94.6 138.3 166.6 3.4 5.4 0.4 88 88 A I E -VW 121 204C 1 33,-0.9 33,-3.0 116,-0.2 2,-0.3 -0.843 33.7-168.2-114.6 152.6 6.1 4.0 -1.8 89 89 A A E -VW 120 203C 0 114,-3.3 114,-0.8 -2,-0.3 31,-0.3 -0.929 18.2-140.3-152.5 124.1 5.4 2.2 -5.2 90 90 A F E +VW 119 202C 4 29,-2.1 29,-2.6 -2,-0.3 2,-0.3 -0.542 39.2 170.3 -74.8 142.2 7.5 0.1 -7.6 91 91 A F E -VW 118 201C 1 110,-2.5 110,-1.3 27,-0.2 2,-0.4 -0.965 37.9-145.1-153.2 170.3 6.8 1.0 -11.2 92 92 A I E +VW 117 200C 2 25,-2.4 25,-1.6 -2,-0.3 108,-0.2 -0.882 32.8 158.3-140.9 104.3 7.6 0.6 -14.8 93 93 A A E - 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