==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 17-DEC-92 1LEC . COMPND 2 MOLECULE: WEST-CENTRAL AFRICAN LEGUME LECTIN IV; . SOURCE 2 ORGANISM_SCIENTIFIC: GRIFFONIA SIMPLICIFOLIA; . AUTHOR L.DELBAERE,M.VANDONSELAAR,J.QUAIL . 243 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 67.9 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 . 102 42.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 21 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 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 . 4 2 1 2 1 3 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 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 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.6 7.9 42.2 6.6 2 2 A N + 0 0 48 58,-0.1 59,-0.3 2,-0.0 2,-0.2 0.531 360.0 80.0 -91.2 -3.7 8.1 38.4 7.2 3 3 A T - 0 0 50 57,-0.1 2,-0.3 233,-0.0 234,-0.1 -0.647 61.6-146.2-107.7 160.5 11.7 38.0 6.1 4 4 A V + 0 0 10 -2,-0.2 232,-2.7 57,-0.1 2,-0.3 -0.903 15.6 172.0-122.0 147.0 15.2 38.7 7.6 5 5 A N E +A 235 0A 108 -2,-0.3 2,-0.3 230,-0.2 230,-0.2 -0.756 14.7 150.8-154.1 106.4 18.5 39.8 6.0 6 6 A F E -A 234 0A 17 228,-2.6 228,-2.7 -2,-0.3 2,-0.4 -0.985 20.1-166.5-140.3 155.6 21.6 40.7 8.0 7 7 A T E -A 233 0A 85 -2,-0.3 226,-0.2 226,-0.2 3,-0.1 -0.934 9.4-179.1-145.5 119.7 25.3 40.6 7.5 8 8 A Y E -A 232 0A 31 224,-3.0 224,-2.6 -2,-0.4 3,-0.1 -0.955 7.7-171.2-114.6 101.6 28.1 41.0 10.0 9 9 A P S S- 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.689 75.8 -15.3 -66.4 -23.0 31.4 40.8 7.9 10 10 A D - 0 0 77 222,-0.1 3,-0.2 -3,-0.1 221,-0.2 -0.943 64.9-120.2-163.6 171.9 33.4 40.7 11.2 11 11 A F B +H 33 0B 3 22,-0.6 22,-2.3 219,-0.4 23,-0.4 -0.156 64.9 126.8-119.2 40.4 32.6 41.5 14.9 12 12 A W + 0 0 168 21,-0.3 2,-1.6 20,-0.2 -1,-0.1 0.793 61.1 76.9 -68.6 -13.9 35.2 44.3 15.4 13 13 A S > + 0 0 74 -3,-0.2 3,-0.9 1,-0.2 -1,-0.2 -0.459 57.6 160.7 -96.8 70.8 32.3 46.6 16.7 14 14 A Y T 3 + 0 0 130 -2,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.353 45.3 91.3 -77.4 13.5 32.1 44.9 19.9 15 15 A S T 3 + 0 0 103 2,-0.1 -1,-0.2 16,-0.0 2,-0.1 0.575 49.5 115.2 -95.4 -5.2 30.3 47.8 21.5 16 16 A L S < S- 0 0 69 -3,-0.9 3,-0.1 1,-0.1 14,-0.1 -0.357 71.9-101.9 -68.4 141.5 26.6 47.0 21.1 17 17 A K >> - 0 0 160 1,-0.1 3,-2.2 -2,-0.1 4,-0.6 -0.304 43.2 -96.8 -55.4 129.7 24.4 46.4 24.2 18 18 A N T 34 S+ 0 0 104 1,-0.2 5,-0.2 2,-0.1 -1,-0.1 -0.221 109.8 20.4 -52.9 131.3 23.5 42.8 25.0 19 19 A G T 34 S+ 0 0 34 3,-2.3 -1,-0.2 36,-0.1 4,-0.2 0.443 98.9 92.3 91.3 -3.3 20.0 42.0 23.6 20 20 A T T <4 S- 0 0 78 -3,-2.2 -2,-0.1 2,-0.5 3,-0.1 0.930 114.0 -10.6 -84.7 -54.8 19.8 44.7 21.0 21 21 A E S < S+ 0 0 75 -4,-0.6 36,-3.1 1,-0.4 2,-0.4 0.779 141.8 20.5-104.0 -47.5 21.2 42.9 17.9 22 22 A I E S-I 56 0C 1 -5,-0.3 -3,-2.3 34,-0.3 2,-0.5 -0.946 70.0-145.5-126.2 137.4 22.6 39.7 19.4 23 23 A T E -I 55 0C 37 32,-3.0 32,-2.7 -2,-0.4 2,-0.5 -0.909 9.7-152.2-104.7 128.8 21.7 38.2 22.8 24 24 A F E -I 54 0C 25 -2,-0.5 2,-0.4 30,-0.2 30,-0.2 -0.891 15.2-173.2-104.1 126.7 24.3 36.4 24.8 25 25 A L E > -I 53 0C 39 28,-2.6 28,-2.4 -2,-0.5 3,-1.5 -0.940 50.7 -14.9-120.3 149.0 23.2 33.6 27.2 26 26 A G E 3 S-I 52 0C 57 -2,-0.4 26,-0.3 1,-0.2 12,-0.1 -0.479 129.6 -15.3 65.3-127.1 25.1 31.6 29.7 27 27 A D T 3 S+ 0 0 64 24,-2.7 2,-0.4 -2,-0.3 25,-0.2 0.263 101.7 119.0 -93.6 11.5 28.9 31.9 29.4 28 28 A A < - 0 0 8 -3,-1.5 2,-0.3 23,-0.2 9,-0.2 -0.639 42.6-178.2 -79.5 132.5 28.8 33.4 25.8 29 29 A T E -B 36 0A 57 7,-2.5 7,-3.1 -2,-0.4 2,-0.6 -0.903 30.9-119.2-131.7 154.3 30.4 36.8 25.6 30 30 A R E +B 35 0A 41 -2,-0.3 5,-0.2 5,-0.2 -12,-0.0 -0.781 37.7 175.5 -89.8 123.8 31.0 39.5 23.1 31 31 A I E > -B 34 0A 40 3,-2.5 3,-1.6 -2,-0.6 2,-0.3 -0.842 47.6 -73.1-117.9 168.5 34.7 40.1 22.7 32 32 A P T 3 S+ 0 0 66 0, 0.0 -20,-0.2 0, 0.0 -19,-0.1 -0.492 122.3 2.4 -59.8 114.3 36.5 42.5 20.1 33 33 A G B 3 S+H 11 0B 5 -22,-2.3 -22,-0.6 -2,-0.3 2,-0.3 0.368 125.4 50.6 91.7 -2.2 36.1 40.7 16.9 34 34 A A E < -B 31 0A 5 -3,-1.6 -3,-2.5 -23,-0.4 2,-0.6 -0.984 69.5-120.6-163.5 160.7 34.1 37.7 17.9 35 35 A L E -BC 30 229A 0 194,-1.6 194,-3.0 -2,-0.3 2,-0.6 -0.973 38.1-154.9-100.9 116.6 31.2 36.1 19.6 36 36 A Q E -BC 29 228A 13 -7,-3.1 -7,-2.5 -2,-0.6 192,-0.2 -0.913 6.3-164.7 -93.6 120.9 33.0 33.8 22.2 37 37 A L + 0 0 0 190,-2.3 2,-0.3 -2,-0.6 182,-0.3 0.824 61.9 23.2 -82.5 -31.7 30.6 30.9 23.1 38 38 A T S S- 0 0 1 189,-0.4 -9,-0.2 180,-0.1 2,-0.1 -0.788 93.1 -72.1-125.7 173.6 32.0 29.3 26.3 39 39 A K - 0 0 102 -2,-0.3 8,-2.6 8,-0.1 2,-0.3 -0.326 37.1-178.3 -74.3 142.4 34.3 30.5 29.1 40 40 A T B -P 46 0D 27 6,-0.3 2,-0.1 -2,-0.1 5,-0.1 -0.906 25.4-120.6-132.9 154.8 38.0 31.2 29.2 41 41 A D > - 0 0 69 4,-2.9 3,-2.0 -2,-0.3 4,-0.2 -0.364 56.8 -70.1 -79.4-174.5 40.3 32.3 32.0 42 42 A A T 3 S+ 0 0 108 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.706 132.4 53.5 -50.7 -28.4 42.4 35.6 31.8 43 43 A N T 3 S- 0 0 124 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.147 120.8-100.4 -93.0 11.6 44.7 34.3 29.0 44 44 A G S < S+ 0 0 21 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.0 0.519 77.9 144.9 78.7 3.7 41.9 33.2 26.5 45 45 A N - 0 0 55 -4,-0.2 -4,-2.9 1,-0.1 -1,-0.3 -0.592 54.9-104.0 -82.7 129.6 42.5 29.6 27.8 46 46 A P B -P 40 0D 20 0, 0.0 178,-0.3 0, 0.0 -6,-0.3 -0.177 23.9-144.8 -62.2 130.0 39.3 27.5 27.9 47 47 A V - 0 0 50 -8,-2.6 3,-0.2 176,-0.1 178,-0.2 -0.648 25.3-117.5 -84.9 139.1 37.6 26.7 31.2 48 48 A R S S+ 0 0 171 -2,-0.3 175,-0.2 1,-0.2 174,-0.1 -0.319 85.9 27.6 -74.7 168.3 36.0 23.1 31.5 49 49 A S S S+ 0 0 62 173,-1.2 2,-0.3 1,-0.2 173,-0.2 0.903 84.5 137.3 44.5 65.4 32.2 22.5 31.9 50 50 A S E - J 0 221C 1 171,-0.8 171,-2.8 -3,-0.2 56,-0.7 -0.934 32.0-170.7-138.2 149.5 30.7 25.6 30.3 51 51 A A E + J 0 220C 11 -2,-0.3 -24,-2.7 169,-0.2 2,-0.3 -0.999 12.1 165.5-141.8 139.9 27.8 26.4 27.9 52 52 A G E -IJ 26 219C 0 167,-1.6 167,-2.4 -2,-0.3 2,-0.3 -0.996 17.3-155.4-154.1 156.7 26.9 29.6 26.1 53 53 A Q E -IJ 25 218C 2 -28,-2.4 -28,-2.6 -2,-0.3 2,-0.5 -0.989 4.9-167.9-135.3 140.1 24.7 30.8 23.3 54 54 A A E +IJ 24 217C 0 163,-2.1 163,-2.9 -2,-0.3 2,-0.3 -0.988 27.5 169.9-122.4 115.1 24.9 33.9 21.0 55 55 A S E -IJ 23 216C 3 -32,-2.7 -32,-3.0 -2,-0.5 161,-0.3 -0.930 40.8 -96.6-130.4 155.0 21.5 34.3 19.2 56 56 A Y E -I 22 0C 29 159,-2.6 159,-0.4 -2,-0.3 -34,-0.3 -0.485 32.8-139.2 -65.2 136.6 19.9 37.0 17.0 57 57 A S S S+ 0 0 34 -36,-3.1 -1,-0.1 -2,-0.1 -35,-0.1 0.911 77.6 74.4 -66.8 -46.4 17.6 39.2 19.1 58 58 A E S S- 0 0 110 -37,-0.3 157,-0.3 -38,-0.1 -2,-0.1 -0.408 91.5-107.3 -65.6 141.4 14.6 39.6 16.7 59 59 A P - 0 0 69 0, 0.0 2,-0.6 0, 0.0 155,-0.2 -0.353 31.9-134.1 -57.2 142.0 12.3 36.6 16.3 60 60 A V E -K 213 0C 2 153,-3.0 153,-2.7 -4,-0.1 2,-0.3 -0.899 12.9-130.3-106.7 117.1 12.6 34.9 12.9 61 61 A F E +K 212 0C 9 -2,-0.6 151,-0.3 -59,-0.3 -57,-0.1 -0.477 32.6 167.3 -64.6 123.9 9.5 34.0 11.0 62 62 A L - 0 0 5 149,-3.5 8,-3.2 1,-0.4 2,-0.3 0.811 56.5 -24.8-102.4 -46.4 9.5 30.4 9.8 63 63 A W B -Q 69 0E 60 148,-1.3 -1,-0.4 6,-0.3 2,-0.3 -0.982 51.1-146.5-160.9 164.8 6.0 29.5 8.7 64 64 A D > - 0 0 24 4,-1.8 3,-2.2 -2,-0.3 4,-0.1 -0.980 35.9-103.2-141.2 164.8 2.3 30.3 9.1 65 65 A S T 3 S+ 0 0 105 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.845 114.9 66.1 -50.9 -36.4 -1.0 28.6 9.1 66 66 A T T 3 S- 0 0 104 1,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.311 120.1-101.7 -73.0 7.8 -1.7 30.0 5.6 67 67 A G S < S+ 0 0 49 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.405 75.8 139.2 90.6 -12.4 1.1 28.0 4.0 68 68 A K + 0 0 55 174,-0.1 -4,-1.8 -4,-0.1 2,-0.4 -0.548 28.5 177.9 -66.0 133.7 3.8 30.8 3.7 69 69 A A B -Q 63 0E 15 169,-0.3 2,-0.4 -2,-0.2 -6,-0.3 -0.997 24.7-123.4-142.7 133.2 7.1 29.2 4.7 70 70 A A - 0 0 2 -8,-3.2 2,-0.3 -2,-0.4 168,-0.2 -0.618 13.0-159.1 -83.2 129.9 10.6 30.8 4.8 71 71 A S E -D 237 0A 9 166,-3.2 166,-2.5 -2,-0.4 2,-0.3 -0.737 27.2-173.5 -91.5 150.9 13.5 29.4 2.9 72 72 A F E -DE 236 178A 6 106,-2.1 106,-2.5 -2,-0.3 2,-0.4 -0.983 26.8-160.7-148.5 165.5 16.8 30.6 4.3 73 73 A Y E -DE 235 177A 64 162,-2.7 162,-2.1 -2,-0.3 2,-0.4 -0.962 10.4-178.9-146.0 129.4 20.5 30.8 4.1 74 74 A T E -DE 234 176A 0 102,-2.8 102,-2.5 -2,-0.4 2,-0.4 -0.966 2.0-174.6-126.2 134.9 23.1 31.5 6.7 75 75 A S E +DE 233 175A 21 158,-2.4 158,-2.7 -2,-0.4 2,-0.3 -0.964 11.3 164.2-124.4 149.5 26.8 31.7 6.4 76 76 A F E -DE 232 174A 0 98,-1.9 98,-3.0 -2,-0.4 2,-0.4 -0.988 26.9-140.4-159.2 151.9 29.4 32.1 9.1 77 77 A T E +DE 231 173A 29 154,-0.8 153,-2.7 -2,-0.3 154,-1.2 -0.895 28.4 175.9-115.2 144.6 33.0 31.8 9.8 78 78 A F E -DE 229 172A 3 94,-2.1 94,-2.4 -2,-0.4 2,-0.5 -0.994 28.3-144.3-147.6 156.6 34.3 30.4 13.0 79 79 A L E -D 228 0A 35 149,-2.4 149,-2.6 -2,-0.3 2,-1.3 -0.946 7.8-168.0-122.1 106.4 37.4 29.4 14.8 80 80 A L E -D 227 0A 6 90,-0.5 2,-0.4 -2,-0.5 89,-0.3 -0.789 23.1-152.8 -91.7 93.6 37.1 26.4 17.2 81 81 A K E -D 226 0A 80 145,-2.6 145,-1.6 -2,-1.3 2,-0.4 -0.587 9.8-158.8 -72.4 125.2 40.4 26.9 18.9 82 82 A N E -D 225 0A 14 -2,-0.4 143,-0.2 143,-0.2 142,-0.1 -0.858 19.3-162.2-108.1 139.6 41.9 23.6 20.3 83 83 A Y S S- 0 0 94 141,-2.6 2,-0.3 -2,-0.4 142,-0.1 0.077 78.8 -26.2-109.7 30.9 44.5 23.1 23.1 84 84 A G S S- 0 0 41 140,-0.2 -1,-0.1 83,-0.2 3,-0.0 -0.936 92.1 -56.0 151.2-171.4 45.4 19.6 22.1 85 85 A A S S+ 0 0 74 -2,-0.3 2,-0.1 1,-0.1 139,-0.0 -0.987 108.1 29.4-142.9 135.3 43.6 16.7 20.3 86 86 A P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.706 75.6 169.1 -77.3 175.6 41.0 15.5 21.0 87 87 A T - 0 0 0 45,-0.4 2,-0.3 -2,-0.1 137,-0.2 -0.835 26.0 -89.0-136.5 175.1 39.0 18.2 22.7 88 88 A A B -R 223 0F 2 135,-2.3 135,-1.0 -2,-0.3 134,-0.3 -0.997 64.4 -13.7-146.8 151.6 35.3 18.4 23.7 89 89 A D - 0 0 9 -2,-0.3 43,-0.9 132,-0.3 44,-0.7 -0.998 59.1-146.8-115.5 -11.5 32.4 19.1 22.9 90 90 A G E -L 131 0C 0 130,-0.5 130,-1.2 41,-0.3 2,-0.3 -0.802 18.9 -93.5 122.2-161.5 31.7 21.2 19.8 91 91 A L E -LM 130 219C 0 39,-2.0 39,-2.5 -2,-0.3 2,-0.3 -0.874 24.7-150.2-146.8 176.4 29.3 23.8 18.7 92 92 A A E -LM 129 218C 0 126,-1.8 126,-2.7 -2,-0.3 2,-0.5 -0.993 17.1-138.9-156.6 146.6 26.0 24.1 16.9 93 93 A F E -LM 128 217C 1 35,-2.7 35,-2.7 -2,-0.3 2,-0.3 -0.903 45.1-178.3 -95.9 136.5 24.0 26.4 14.7 94 94 A F E -LM 127 216C 0 122,-2.9 122,-1.8 -2,-0.5 2,-0.4 -0.910 36.6-154.6-140.6 168.0 20.3 26.2 15.9 95 95 A L E +LM 126 215C 4 31,-2.1 31,-2.0 -2,-0.3 120,-0.2 -0.997 35.1 154.4-135.8 121.7 16.7 27.2 15.5 96 96 A A E - M 0 214C 4 118,-2.1 118,-3.2 -2,-0.4 29,-0.2 -0.922 49.9 -67.0-140.7 170.1 14.7 26.9 18.7 97 97 A P E > - 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