==== 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 1LED . 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) . 10650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 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 . 103 42.4 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 . 20 8.2 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 . 3 1.2 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 2 2 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 0 191 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.5 8.4 42.7 7.3 2 2 A N + 0 0 71 58,-0.1 2,-0.3 2,-0.0 59,-0.3 0.549 360.0 64.1 -94.4 -7.4 8.3 38.8 7.3 3 3 A T - 0 0 49 57,-0.1 2,-0.4 233,-0.1 234,-0.1 -0.782 69.9-139.3-115.7 156.2 11.8 38.1 6.0 4 4 A V + 0 0 15 -2,-0.3 232,-2.4 57,-0.1 2,-0.3 -0.925 18.4 174.0-116.8 140.6 15.2 38.7 7.5 5 5 A N E +A 235 0A 109 -2,-0.4 2,-0.3 230,-0.2 230,-0.2 -0.801 16.3 149.0-144.0 104.5 18.4 40.0 5.9 6 6 A F E -A 234 0A 16 228,-2.5 228,-2.4 -2,-0.3 2,-0.4 -0.976 21.3-167.0-137.8 153.4 21.6 40.8 7.9 7 7 A T E -A 233 0A 84 -2,-0.3 226,-0.2 226,-0.2 3,-0.1 -0.955 8.8-178.8-140.5 123.9 25.3 40.7 7.4 8 8 A Y E -A 232 0A 32 224,-3.1 224,-2.3 -2,-0.4 3,-0.1 -0.959 7.3-171.6-117.9 103.2 28.1 41.1 10.0 9 9 A P S S- 0 0 102 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.769 75.2 -18.3 -68.4 -25.7 31.4 40.9 8.0 10 10 A D - 0 0 80 222,-0.1 3,-0.2 -3,-0.1 221,-0.2 -0.933 64.2-119.4-162.8 174.5 33.4 40.8 11.2 11 11 A F B +H 33 0B 3 22,-0.7 22,-2.1 219,-0.4 23,-0.4 -0.158 65.8 125.8-120.0 38.5 32.6 41.6 14.9 12 12 A W + 0 0 168 21,-0.3 2,-1.3 20,-0.2 -1,-0.1 0.742 61.8 79.2 -69.4 -6.9 35.2 44.4 15.5 13 13 A S > + 0 0 83 -3,-0.2 3,-0.9 1,-0.2 -1,-0.2 -0.436 57.9 154.9 -99.3 65.3 32.3 46.6 16.6 14 14 A Y T 3 + 0 0 128 -2,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.449 43.7 87.2 -74.1 -0.2 32.1 45.0 20.0 15 15 A S T 3 + 0 0 106 -3,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.535 54.8 119.1 -85.8 -2.5 30.4 47.9 21.8 16 16 A L S < S- 0 0 63 -3,-0.9 3,-0.1 1,-0.1 14,-0.1 -0.375 70.3-104.5 -62.4 139.6 26.7 47.1 21.1 17 17 A K >> - 0 0 168 1,-0.1 3,-2.1 -2,-0.1 4,-0.6 -0.279 40.5 -95.0 -64.8 137.6 24.5 46.5 24.1 18 18 A N T 34 S+ 0 0 106 1,-0.3 5,-0.2 2,-0.1 -1,-0.1 -0.235 108.6 18.4 -50.6 132.9 23.4 42.9 25.0 19 19 A G T 34 S+ 0 0 35 3,-2.1 -1,-0.3 36,-0.1 4,-0.2 0.448 99.1 93.3 85.6 -5.2 20.0 42.1 23.5 20 20 A T T <4 S- 0 0 82 -3,-2.1 -2,-0.1 2,-0.5 3,-0.1 0.934 113.5 -11.6 -86.4 -51.0 19.8 44.9 20.9 21 21 A E S < S+ 0 0 73 -4,-0.6 36,-3.0 1,-0.4 37,-0.4 0.779 142.3 21.0-107.3 -45.4 21.2 43.0 17.8 22 22 A I E S-I 56 0C 0 -5,-0.3 -3,-2.1 34,-0.3 -2,-0.5 -0.970 71.3-146.7-125.1 138.1 22.6 39.8 19.4 23 23 A T E -I 55 0C 36 32,-2.7 32,-2.5 -2,-0.4 2,-0.5 -0.908 9.2-151.7-107.6 130.4 21.6 38.4 22.7 24 24 A F E -I 54 0C 25 -2,-0.5 2,-0.3 30,-0.2 30,-0.2 -0.888 15.1-174.5-106.1 130.2 24.2 36.5 24.8 25 25 A L E > -I 53 0C 42 28,-2.7 28,-2.1 -2,-0.5 3,-1.6 -0.923 51.1 -13.7-121.2 150.7 23.0 33.8 27.2 26 26 A G E 3 S-I 52 0C 56 -2,-0.3 26,-0.3 1,-0.2 12,-0.1 -0.456 129.1 -16.1 64.4-129.7 24.9 31.7 29.8 27 27 A D T 3 S+ 0 0 63 24,-2.8 2,-0.3 10,-0.2 -1,-0.2 0.307 102.3 118.4 -91.0 6.1 28.7 32.0 29.4 28 28 A A < - 0 0 9 -3,-1.6 2,-0.3 23,-0.2 9,-0.2 -0.588 42.3-179.8 -76.2 137.2 28.7 33.4 25.9 29 29 A T E -B 36 0A 61 7,-2.6 7,-3.3 -2,-0.3 2,-0.4 -0.952 32.1-117.0-138.8 155.0 30.2 36.8 25.7 30 30 A R E +B 35 0A 38 -2,-0.3 5,-0.2 5,-0.2 -12,-0.0 -0.720 38.0 174.3 -87.6 128.2 31.0 39.5 23.2 31 31 A I E > -B 34 0A 44 3,-2.7 3,-1.7 -2,-0.4 2,-0.2 -0.905 48.8 -70.3-124.3 164.5 34.8 40.2 22.8 32 32 A P T 3 S+ 0 0 68 0, 0.0 -20,-0.2 0, 0.0 -19,-0.1 -0.406 122.5 0.7 -53.9 115.4 36.6 42.5 20.3 33 33 A G B 3 S+H 11 0B 7 -22,-2.1 -22,-0.7 -2,-0.2 2,-0.3 0.331 126.0 56.4 89.3 -6.1 36.2 40.8 16.9 34 34 A A E < -B 31 0A 5 -3,-1.7 -3,-2.7 -23,-0.4 2,-0.7 -0.986 69.6-124.5-159.0 158.1 34.1 37.8 18.0 35 35 A L E -BC 30 229A 0 194,-1.8 194,-2.8 -2,-0.3 2,-0.6 -0.943 38.4-154.7 -97.1 116.3 31.1 36.2 19.7 36 36 A Q E -BC 29 228A 12 -7,-3.3 -7,-2.6 -2,-0.7 192,-0.2 -0.893 6.2-163.6 -94.4 125.4 32.8 33.9 22.3 37 37 A L + 0 0 0 190,-2.6 182,-0.3 -2,-0.6 2,-0.3 0.833 62.1 21.9 -85.9 -28.9 30.5 30.9 23.2 38 38 A T S S- 0 0 2 189,-0.3 -9,-0.2 -10,-0.1 2,-0.1 -0.820 92.8 -72.7-129.1 170.5 31.9 29.4 26.4 39 39 A K - 0 0 113 -2,-0.3 8,-2.5 9,-0.1 2,-0.3 -0.312 37.8-176.3 -76.0 141.0 34.1 30.6 29.2 40 40 A T B -P 46 0D 29 6,-0.2 2,-0.1 -2,-0.1 186,-0.0 -0.900 23.5-122.8-126.5 155.1 37.8 31.3 29.3 41 41 A D > - 0 0 69 4,-3.0 3,-2.6 -2,-0.3 4,-0.4 -0.459 53.7 -73.7 -81.8-178.0 40.2 32.3 32.1 42 42 A A T 3 S+ 0 0 106 1,-0.3 -1,-0.0 2,-0.2 -2,-0.0 0.789 133.2 52.5 -43.9 -43.4 42.3 35.6 31.9 43 43 A N T 3 S- 0 0 123 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.237 121.6-103.3 -81.6 13.2 44.8 34.0 29.4 44 44 A G S < S+ 0 0 20 -3,-2.6 -2,-0.2 1,-0.3 -1,-0.1 0.750 73.7 150.7 70.5 18.0 41.9 33.0 27.0 45 45 A N - 0 0 59 -4,-0.4 -4,-3.0 1,-0.1 -1,-0.3 -0.747 50.7-106.8 -88.2 131.6 42.4 29.5 28.3 46 46 A P B -P 40 0D 22 0, 0.0 178,-0.3 0, 0.0 -6,-0.2 -0.255 24.8-140.3 -60.6 134.0 39.2 27.3 28.1 47 47 A V - 0 0 49 -8,-2.5 3,-0.3 178,-0.1 178,-0.2 -0.581 22.1-116.3 -87.2 148.6 37.3 26.5 31.3 48 48 A R S S+ 0 0 171 -2,-0.2 175,-0.2 1,-0.2 174,-0.1 -0.488 87.8 22.6 -79.1 166.2 35.8 22.9 31.7 49 49 A S S S+ 0 0 64 173,-1.2 2,-0.3 1,-0.1 173,-0.3 0.896 84.7 139.3 43.0 65.6 31.9 22.5 32.0 50 50 A S E - J 0 221C 0 171,-0.8 171,-2.4 -3,-0.3 56,-0.5 -0.937 29.7-171.6-136.0 149.2 30.5 25.6 30.4 51 51 A A E + J 0 220C 9 -2,-0.3 -24,-2.8 169,-0.2 2,-0.3 -0.996 11.8 162.4-142.2 143.5 27.6 26.4 28.0 52 52 A G E -IJ 26 219C 0 167,-1.9 167,-2.5 -2,-0.3 2,-0.3 -0.997 17.7-153.5-157.4 159.4 26.7 29.6 26.2 53 53 A Q E -IJ 25 218C 3 -28,-2.1 -28,-2.7 -2,-0.3 2,-0.5 -0.999 5.9-167.1-140.4 140.0 24.6 31.0 23.3 54 54 A A E +IJ 24 217C 0 163,-2.2 163,-3.1 -2,-0.3 2,-0.3 -0.980 26.5 172.6-123.8 114.9 24.7 34.0 21.0 55 55 A S E -IJ 23 216C 4 -32,-2.5 -32,-2.7 -2,-0.5 161,-0.3 -0.891 40.7 -97.3-125.5 154.5 21.5 34.4 19.1 56 56 A Y E -I 22 0C 32 159,-2.8 159,-0.3 -2,-0.3 -34,-0.3 -0.472 35.2-137.0 -63.4 136.7 19.9 37.1 16.8 57 57 A S S S+ 0 0 36 -36,-3.0 -1,-0.1 -2,-0.1 -35,-0.1 0.929 78.9 73.9 -67.5 -41.0 17.7 39.3 19.0 58 58 A E S S- 0 0 118 -37,-0.4 157,-0.3 -38,-0.1 2,-0.1 -0.416 89.5-108.8 -72.5 146.8 14.7 39.6 16.6 59 59 A P - 0 0 49 0, 0.0 2,-0.5 0, 0.0 155,-0.2 -0.447 31.4-136.4 -63.1 142.4 12.3 36.6 16.1 60 60 A V E -K 213 0C 1 153,-2.9 153,-2.8 -2,-0.1 2,-0.4 -0.905 11.2-129.5-108.3 125.3 12.6 35.0 12.7 61 61 A F E +K 212 0C 18 -2,-0.5 151,-0.2 -59,-0.3 -57,-0.1 -0.560 33.6 164.9 -72.0 129.9 9.4 34.1 10.8 62 62 A L - 0 0 6 149,-3.0 8,-3.3 1,-0.4 2,-0.3 0.770 56.8 -25.7-110.1 -46.0 9.5 30.5 9.5 63 63 A W B -Q 69 0E 60 148,-1.1 -1,-0.4 6,-0.3 2,-0.3 -0.980 48.5-156.2-161.3 165.9 5.9 29.6 8.5 64 64 A D > - 0 0 31 4,-1.5 3,-1.4 -2,-0.3 142,-0.0 -0.966 41.0 -94.6-144.9 171.2 2.2 30.3 9.0 65 65 A S T 3 S+ 0 0 111 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.859 113.2 70.7 -53.7 -35.7 -1.1 28.6 8.6 66 66 A T T 3 S- 0 0 95 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.248 118.0-101.2 -71.0 14.5 -1.6 30.1 5.1 67 67 A G S < S+ 0 0 51 -3,-1.4 2,-0.2 1,-0.3 -1,-0.1 0.110 78.2 137.7 88.3 -24.8 1.1 28.0 3.5 68 68 A K + 0 0 45 174,-0.1 -4,-1.5 -5,-0.1 2,-0.4 -0.371 27.4 173.4 -59.3 125.0 3.8 30.8 3.5 69 69 A A B -Q 63 0E 14 169,-0.3 2,-0.4 -6,-0.2 -6,-0.3 -0.995 27.7-120.8-140.8 139.3 7.1 29.4 4.5 70 70 A A - 0 0 1 -8,-3.3 2,-0.3 -2,-0.4 168,-0.2 -0.677 14.4-162.9 -86.7 126.4 10.6 30.8 4.7 71 71 A S E -D 237 0A 9 166,-3.2 166,-2.6 -2,-0.4 2,-0.3 -0.750 26.3-174.4 -92.9 154.3 13.5 29.4 2.8 72 72 A F E -DE 236 178A 8 106,-2.2 106,-2.7 -2,-0.3 2,-0.4 -0.986 28.3-158.7-153.3 162.2 16.9 30.6 4.2 73 73 A Y E +DE 235 177A 62 162,-2.7 162,-2.2 -2,-0.3 2,-0.4 -0.985 13.2 179.0-141.1 131.7 20.6 30.8 3.9 74 74 A T E -DE 234 176A 0 102,-2.5 102,-2.6 -2,-0.4 2,-0.3 -0.981 2.6-176.1-129.9 140.7 23.1 31.6 6.7 75 75 A S E +DE 233 175A 21 158,-2.4 158,-2.5 -2,-0.4 2,-0.3 -0.980 9.1 163.3-134.6 150.1 26.9 31.7 6.5 76 76 A F E -DE 232 174A 0 98,-1.8 98,-2.8 -2,-0.3 2,-0.4 -0.986 28.1-135.7-161.9 152.7 29.4 32.2 9.1 77 77 A T E +DE 231 173A 29 154,-0.9 153,-2.5 -2,-0.3 154,-1.1 -0.874 28.9 179.3-114.4 143.8 33.1 31.8 9.8 78 78 A F E -DE 229 172A 2 94,-2.3 94,-2.5 -2,-0.4 2,-0.5 -0.996 27.6-144.5-143.7 156.5 34.3 30.4 13.0 79 79 A L E -DE 228 171A 41 149,-2.4 149,-2.6 -2,-0.3 2,-1.1 -0.965 10.9-165.9-121.4 107.5 37.4 29.5 14.9 80 80 A L E -D 227 0A 7 -2,-0.5 2,-0.5 90,-0.5 89,-0.3 -0.833 21.1-151.8 -91.7 97.2 37.0 26.4 17.1 81 81 A K E -D 226 0A 74 145,-2.7 145,-1.7 -2,-1.1 2,-0.4 -0.664 11.8-165.5 -81.1 121.1 40.2 26.8 19.1 82 82 A N E -D 225 0A 14 -2,-0.5 143,-0.2 143,-0.2 142,-0.1 -0.893 18.9-164.3-110.3 133.1 41.7 23.5 20.5 83 83 A Y S S- 0 0 84 141,-2.8 2,-0.3 -2,-0.4 142,-0.1 -0.156 77.5 -22.4-108.1 41.6 44.4 23.1 23.2 84 84 A G S S- 0 0 40 83,-0.2 -1,-0.0 140,-0.2 3,-0.0 -0.909 93.2 -53.2 143.5-177.0 45.3 19.5 22.4 85 85 A A S S+ 0 0 75 -2,-0.3 2,-0.1 1,-0.1 139,-0.0 -0.990 107.7 25.5-139.8 135.3 43.6 16.6 20.7 86 86 A P S S+ 0 0 61 0, 0.0 2,-0.2 0, 0.0 47,-0.1 0.695 76.8 174.6 -77.9 178.3 40.8 15.4 21.2 87 87 A T - 0 0 0 45,-0.4 2,-0.3 -2,-0.1 137,-0.2 -0.757 22.4 -88.8-134.8 176.7 38.8 18.2 22.8 88 88 A A B -R 223 0F 2 135,-1.9 135,-1.0 -2,-0.2 134,-0.3 -0.990 63.5 -17.0-149.3 150.1 35.1 18.5 23.8 89 89 A D - 0 0 7 -2,-0.3 43,-1.0 132,-0.3 44,-0.8 -0.997 59.6-144.9-116.2 -12.8 32.2 19.3 23.0 90 90 A G E -L 131 0C 0 130,-0.5 130,-1.3 41,-0.2 2,-0.3 -0.772 18.0 -90.7 123.7-166.1 31.6 21.3 19.9 91 91 A L E -LM 130 219C 0 39,-1.6 39,-2.9 -2,-0.3 2,-0.3 -0.880 25.8-156.2-142.8 169.9 29.2 24.0 18.7 92 92 A A E -LM 129 218C 0 126,-1.9 126,-2.8 -2,-0.3 2,-0.5 -0.997 17.9-140.0-156.5 146.6 25.9 24.3 16.8 93 93 A F E -LM 128 217C 1 35,-2.3 35,-2.6 -2,-0.3 2,-0.3 -0.919 44.0-178.7 -96.0 135.2 23.9 26.6 14.7 94 94 A F E -LM 127 216C 0 122,-3.0 122,-1.9 -2,-0.5 2,-0.4 -0.906 36.7-151.9-142.2 169.2 20.3 26.3 15.9 95 95 A L E +LM 126 215C 4 31,-2.5 31,-2.0 -2,-0.3 120,-0.2 -0.998 36.3 151.2-136.2 121.1 16.7 27.3 15.5 96 96 A A E - M 0 214C 5 118,-2.2 118,-3.0 -2,-0.4 29,-0.2 -0.901 50.9 -61.2-141.4 172.8 14.6 27.1 18.6 97 97 A P E > - 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