==== 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 02-OCT-96 1IOA . COMPND 2 MOLECULE: ARCELIN-5A; . SOURCE 2 ORGANISM_SCIENTIFIC: PHASEOLUS VULGARIS; . AUTHOR T.HAMELRYCK,R.LORIS . 456 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 69.7 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 . 194 42.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.8 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 . 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 . 47 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 3.7 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+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 . 8 8 0 4 2 4 4 2 2 2 0 0 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 2 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 A 0 0 131 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.7 8.7 15.9 -7.1 2 2 A T + 0 0 51 1,-0.1 2,-0.6 223,-0.1 55,-0.5 0.473 360.0 79.6-124.2 -33.7 11.6 15.4 -4.7 3 3 A E - 0 0 94 53,-0.1 2,-0.3 224,-0.1 223,-0.1 -0.684 57.7-171.8 -95.9 115.1 9.6 16.2 -1.5 4 4 A T + 0 0 24 -2,-0.6 221,-3.1 53,-0.2 2,-0.3 -0.766 9.1 167.0-104.0 147.6 7.3 13.6 0.1 5 5 A S E +A 224 0A 87 -2,-0.3 2,-0.3 219,-0.2 219,-0.2 -0.931 3.3 156.3-160.6 124.3 5.0 14.2 3.0 6 6 A F E -A 223 0A 20 217,-2.0 217,-1.9 -2,-0.3 2,-0.3 -0.925 19.7-156.1-143.0 173.5 2.1 12.1 4.5 7 7 A N E -A 222 0A 106 -2,-0.3 215,-0.2 215,-0.2 3,-0.1 -0.878 4.6-173.0-158.3 111.5 0.2 11.6 7.7 8 8 A F E +A 221 0A 16 213,-3.7 213,-2.2 -2,-0.3 3,-0.1 -0.927 7.1 175.7-108.4 103.4 -1.7 8.6 9.0 9 9 A P S S- 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.775 82.6 -10.4 -74.0 -22.3 -3.5 9.6 12.1 10 10 A N S S- 0 0 64 -3,-0.1 2,-0.3 211,-0.1 20,-0.2 -0.949 82.6 -99.7-158.7 170.8 -4.9 6.0 11.8 11 11 A F + 0 0 0 18,-2.4 2,-0.3 -2,-0.3 3,-0.1 -0.698 30.9 174.4-107.1 153.0 -4.9 3.2 9.2 12 12 A H > - 0 0 89 -2,-0.3 3,-1.5 1,-0.1 15,-0.1 -0.985 41.2-113.3-148.2 154.0 -7.5 2.1 6.8 13 13 A T T 3 S+ 0 0 132 -2,-0.3 4,-0.3 1,-0.3 -1,-0.1 0.876 112.0 60.0 -55.8 -45.6 -7.6 -0.5 4.0 14 14 A D T 3 S+ 0 0 142 2,-0.1 -1,-0.3 -3,-0.1 2,-0.1 0.297 86.5 122.8 -69.6 9.2 -7.9 2.1 1.2 15 15 A D S < S- 0 0 38 -3,-1.5 2,-2.8 1,-0.1 -4,-0.0 -0.358 80.0-103.1 -79.1 159.0 -4.6 3.7 2.2 16 16 A K S S+ 0 0 98 -2,-0.1 37,-2.0 2,-0.0 2,-0.3 -0.360 80.2 121.6 -71.3 61.9 -1.5 4.3 0.3 17 17 A L E -H 52 0B 25 -2,-2.8 2,-0.5 -4,-0.3 35,-0.2 -0.966 55.1-146.3-133.5 150.6 0.3 1.3 2.0 18 18 A I E -H 51 0B 54 33,-2.6 33,-2.2 -2,-0.3 2,-0.4 -0.979 20.6-162.5-114.0 119.4 1.9 -1.9 0.8 19 19 A L E +H 50 0B 70 -2,-0.5 2,-0.3 31,-0.2 31,-0.2 -0.892 10.5 179.3-105.2 131.2 1.4 -4.8 3.3 20 20 A Q E > +H 49 0B 40 29,-2.3 3,-1.6 -2,-0.4 29,-1.2 -0.783 49.9 1.0-126.2 169.1 3.6 -7.8 3.1 21 21 A G E 3 S-H 48 0B 54 -2,-0.3 27,-0.3 27,-0.2 13,-0.1 -0.109 126.7 -23.9 51.3-148.5 3.8 -11.0 5.1 22 22 A N T 3 S+ 0 0 56 25,-3.4 14,-0.2 12,-0.1 26,-0.2 0.270 97.4 129.6 -78.1 9.6 1.2 -11.2 8.0 23 23 A A < + 0 0 7 -3,-1.6 2,-0.3 26,-0.2 10,-0.2 -0.410 28.3 160.3 -68.8 138.8 0.7 -7.5 8.3 24 24 A T E -B 32 0A 58 8,-1.2 8,-2.7 -2,-0.1 2,-0.5 -0.947 41.2-111.8-151.5 163.6 -3.0 -6.3 8.3 25 25 A I E -B 31 0A 34 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.893 36.3-131.8-101.1 128.7 -5.0 -3.3 9.3 26 26 A S > - 0 0 17 4,-2.6 3,-2.7 -2,-0.5 4,-0.3 -0.407 24.7-106.3 -77.3 158.6 -7.4 -4.0 12.2 27 27 A S T 3 S+ 0 0 130 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.689 120.9 59.5 -54.2 -20.8 -11.1 -3.0 12.2 28 28 A K T 3 S- 0 0 173 2,-0.1 -1,-0.3 -16,-0.0 -17,-0.1 0.331 125.3 -99.0 -90.3 -2.1 -10.1 -0.2 14.6 29 29 A G S < S+ 0 0 7 -3,-2.7 -18,-2.4 1,-0.2 2,-0.4 0.872 75.5 140.1 86.8 39.9 -7.7 1.4 12.2 30 30 A Q - 0 0 54 -4,-0.3 -4,-2.6 -20,-0.2 2,-0.9 -0.935 53.2-128.2-118.8 139.1 -4.4 -0.1 13.6 31 31 A L E -BC 25 218A 0 187,-2.8 187,-3.1 -2,-0.4 2,-1.1 -0.733 24.1-166.2 -86.2 108.4 -1.4 -1.3 11.6 32 32 A Q E > -BC 24 217A 35 -8,-2.7 -8,-1.2 -2,-0.9 3,-0.7 -0.726 4.9-174.4 -97.1 88.5 -0.8 -4.8 13.0 33 33 A L T 3 S+ 0 0 0 183,-1.7 -1,-0.2 -2,-1.1 184,-0.1 0.860 80.0 30.2 -48.9 -57.6 2.6 -5.7 11.6 34 34 A T T 3 S- 0 0 0 182,-0.3 -1,-0.2 1,-0.2 9,-0.2 0.531 106.2-140.3 -85.8 -4.5 3.0 -9.3 12.8 35 35 A G < - 0 0 4 -3,-0.7 8,-1.2 181,-0.2 2,-0.3 0.020 7.6 -89.1 77.7 176.0 -0.7 -10.1 12.7 36 36 A V B -P 42 0C 49 -14,-0.2 2,-0.1 6,-0.2 -1,-0.0 -0.991 26.1-127.9-137.2 143.8 -3.2 -12.1 14.7 37 37 A G > - 0 0 17 4,-3.6 3,-2.2 -2,-0.3 4,-0.1 -0.267 35.7-100.1 -83.0 169.3 -4.5 -15.6 14.8 38 38 A S T 3 S+ 0 0 145 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.592 121.9 63.3 -69.1 -6.6 -8.1 -16.9 14.7 39 39 A N T 3 S- 0 0 95 2,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.334 120.0-109.7 -95.0 2.5 -7.9 -17.3 18.5 40 40 A E S < S+ 0 0 79 -3,-2.2 -2,-0.2 1,-0.3 -4,-0.0 0.705 83.6 120.1 72.0 24.0 -7.4 -13.6 18.8 41 41 A L S S- 0 0 66 -4,-0.1 -4,-3.6 1,-0.1 -1,-0.3 -0.892 72.6 -90.0-119.8 147.9 -3.8 -14.1 19.9 42 42 A P B -P 36 0C 12 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.007 46.6-104.8 -47.8 152.3 -0.6 -12.9 18.2 43 43 A R - 0 0 101 -8,-1.2 3,-0.5 171,-0.2 2,-0.4 -0.688 28.9-134.3 -86.2 143.1 1.0 -15.0 15.5 44 44 A V S S+ 0 0 61 -2,-0.3 164,-0.2 1,-0.2 163,-0.1 -0.764 86.4 9.3 -96.4 143.4 4.1 -16.9 16.4 45 45 A D S S+ 0 0 49 162,-2.1 2,-0.4 -2,-0.4 -1,-0.2 0.944 97.4 153.1 54.0 50.2 7.0 -16.9 14.0 46 46 A S - 0 0 0 -3,-0.5 160,-2.1 161,-0.2 2,-0.3 -0.892 30.2-168.6-114.9 147.4 5.3 -14.2 12.0 47 47 A L B +I 205 0B 18 -2,-0.4 -25,-3.4 158,-0.2 2,-0.3 -0.951 11.6 165.9-130.5 140.0 6.7 -11.5 9.8 48 48 A G E -H 21 0B 0 156,-1.3 2,-0.3 -2,-0.3 -27,-0.2 -0.948 8.2-175.8-151.7 139.4 4.8 -8.6 8.4 49 49 A R E -H 20 0B 2 -29,-1.2 -29,-2.3 -2,-0.3 2,-0.3 -0.852 2.3-169.8-130.0 170.7 6.2 -5.5 6.7 50 50 A A E -HJ 19 202B 0 152,-2.2 152,-2.5 -2,-0.3 2,-0.3 -0.864 3.8-177.1-165.5 128.1 4.4 -2.3 5.4 51 51 A F E -HJ 18 201B 4 -33,-2.2 -33,-2.6 -2,-0.3 150,-0.3 -0.915 39.4 -98.5-130.9 154.4 5.6 0.7 3.4 52 52 A Y E -H 17 0B 20 148,-2.4 148,-0.5 -2,-0.3 -35,-0.3 -0.574 42.8-128.6 -66.4 136.6 4.2 3.9 2.1 53 53 A S S S+ 0 0 40 -37,-2.0 -1,-0.1 -2,-0.2 -36,-0.1 0.626 85.9 75.5 -68.1 -22.1 3.3 2.9 -1.5 54 54 A D S S- 0 0 65 -38,-0.3 146,-0.4 146,-0.1 2,-0.1 -0.732 88.0-117.4 -89.3 139.1 5.0 5.8 -3.2 55 55 A P - 0 0 55 0, 0.0 2,-0.4 0, 0.0 144,-0.2 -0.499 27.2-131.2 -77.7 151.4 8.8 5.6 -3.4 56 56 A I E -K 198 0B 0 142,-3.8 142,-2.7 -2,-0.1 2,-0.8 -0.812 11.1-127.2-103.6 141.4 10.7 8.3 -1.6 57 57 A Q E +K 197 0B 12 -55,-0.5 140,-0.3 -2,-0.4 -53,-0.2 -0.788 31.5 167.3 -90.4 114.5 13.6 10.3 -3.2 58 58 A I + 0 0 4 138,-2.5 7,-2.3 -2,-0.8 2,-0.6 0.912 68.3 38.9 -87.7 -53.1 16.7 10.3 -1.1 59 59 A K B -Q 64 0D 18 137,-0.9 -1,-0.2 5,-0.2 5,-0.2 -0.922 56.9-173.0-106.2 119.8 19.4 11.7 -3.5 60 60 A D - 0 0 69 3,-2.8 -1,-0.1 -2,-0.6 4,-0.1 0.826 68.3 -78.4 -73.8 -40.6 18.3 14.5 -5.8 61 61 A S S S- 0 0 94 2,-0.8 -1,-0.0 135,-0.0 -2,-0.0 -0.515 114.1 -3.3 177.9 -72.8 21.6 14.4 -7.7 62 62 A N S S+ 0 0 95 -2,-0.1 2,-0.3 -3,-0.1 -3,-0.0 0.643 122.9 75.8-110.1 -25.6 24.0 16.2 -5.5 63 63 A N - 0 0 41 164,-0.0 -3,-2.8 165,-0.0 -2,-0.8 -0.659 68.3-148.8 -93.2 146.2 21.6 17.3 -2.7 64 64 A V B -Q 59 0D 24 -2,-0.3 164,-0.5 -5,-0.2 -5,-0.2 -0.883 18.3-114.2-113.8 147.5 20.4 14.8 -0.1 65 65 A A E -D 227 0A 1 -7,-2.3 2,-0.3 -2,-0.3 162,-0.2 -0.445 16.5-148.1 -81.5 150.3 17.0 14.9 1.6 66 66 A S E -D 226 0A 10 160,-3.0 160,-3.1 -2,-0.1 2,-0.3 -0.830 23.2-166.3-108.1 150.0 16.5 15.4 5.3 67 67 A F E -DE 225 162A 14 95,-1.5 95,-2.1 -2,-0.3 2,-0.4 -0.976 19.5-162.4-143.3 160.7 13.5 13.7 6.8 68 68 A N E +DE 224 161A 65 156,-1.3 156,-1.4 -2,-0.3 2,-0.4 -0.994 14.3 178.7-141.1 128.4 11.5 13.7 9.9 69 69 A T E -DE 223 160A 0 91,-2.5 91,-3.0 -2,-0.4 2,-0.4 -0.998 6.2-174.5-139.2 135.6 9.2 10.8 10.9 70 70 A N E +DE 222 159A 58 152,-1.8 152,-2.8 -2,-0.4 2,-0.3 -0.996 14.3 159.8-128.6 135.7 7.0 10.4 14.0 71 71 A F E -DE 221 158A 1 87,-2.1 87,-3.6 -2,-0.4 2,-0.4 -0.989 24.7-146.6-153.2 152.7 5.0 7.3 14.8 72 72 A T E +DE 220 157A 29 148,-1.2 147,-2.5 -2,-0.3 148,-1.1 -0.969 23.3 170.4-125.5 139.4 3.5 5.7 17.9 73 73 A F E -DE 218 156A 0 83,-2.7 83,-3.1 -2,-0.4 2,-0.3 -0.897 23.5-145.2-140.2 173.8 3.2 2.0 18.6 74 74 A I E -D 217 0A 42 143,-1.9 143,-2.1 -2,-0.3 2,-0.5 -0.987 6.5-165.0-140.7 134.3 2.3 -0.6 21.2 75 75 A I - 0 0 1 79,-0.4 78,-1.7 -2,-0.3 2,-0.4 -0.990 12.4-175.5-122.6 120.2 3.9 -4.0 21.7 76 76 A R + 0 0 97 -2,-0.5 139,-2.1 139,-0.2 2,-0.3 -0.991 5.6 176.5-122.0 131.5 1.9 -6.4 23.9 77 77 A A B -R 214 0E 15 -2,-0.4 3,-0.4 137,-0.3 137,-0.2 -0.909 41.3-126.2-133.0 157.9 3.2 -9.8 24.9 78 78 A K S S+ 0 0 129 135,-1.0 2,-0.3 132,-0.3 -1,-0.1 0.898 112.9 10.1 -68.3 -44.4 2.1 -12.7 27.0 79 79 A N > - 0 0 66 132,-0.8 3,-2.2 134,-0.4 4,-0.5 -0.769 69.7-170.8-140.0 94.2 5.5 -12.5 28.8 80 80 A Q T 3 S+ 0 0 37 -3,-0.4 -1,-0.1 -2,-0.3 70,-0.1 0.625 83.3 69.4 -55.4 -25.0 7.5 -9.3 27.9 81 81 A S T 3 S+ 0 0 64 1,-0.2 -1,-0.3 69,-0.1 68,-0.1 0.761 114.2 27.6 -66.4 -28.8 10.5 -10.6 29.7 82 82 A I S < S+ 0 0 76 -3,-2.2 -2,-0.2 129,-0.2 -1,-0.2 0.316 92.1 134.7-116.7 8.7 10.8 -13.2 27.0 83 83 A S - 0 0 1 -4,-0.5 2,-0.3 43,-0.1 130,-0.2 -0.152 42.9-128.2 -52.2 152.0 9.2 -11.3 24.1 84 84 A A - 0 0 4 128,-1.9 123,-1.3 44,-0.1 130,-0.3 -0.950 41.2 -16.5-155.1 154.6 10.9 -11.3 20.6 85 85 A Y E -L 206 0B 17 121,-0.4 42,-2.2 -2,-0.3 41,-1.6 -0.746 64.4-126.5-117.8 -39.0 11.9 -9.9 18.3 86 86 A G E -LM 205 125B 0 119,-1.8 119,-1.6 39,-0.2 2,-0.3 -0.928 14.6 -86.5 156.2-177.6 11.1 -6.3 17.5 87 87 A L E -LM 204 124B 0 37,-1.3 37,-2.8 -2,-0.3 2,-0.3 -0.952 35.0-159.4-128.5 142.5 9.8 -3.6 15.2 88 88 A A E -LM 203 123B 0 115,-3.2 115,-1.5 -2,-0.3 2,-0.6 -0.921 18.6-152.4-131.1 143.4 11.8 -1.7 12.6 89 89 A F E +LM 202 122B 5 33,-2.1 33,-2.7 -2,-0.3 2,-0.3 -0.977 39.5 175.3-108.6 121.0 11.6 1.6 10.8 90 90 A A E -LM 201 121B 0 111,-2.3 111,-1.6 -2,-0.6 2,-0.5 -0.865 38.6-145.0-132.8 156.2 13.5 1.0 7.6 91 91 A L E +LM 200 120B 4 29,-2.7 29,-1.4 -2,-0.3 109,-0.2 -0.995 39.8 172.3-113.2 121.3 14.5 2.6 4.3 92 92 A V E -L 199 0B 1 107,-2.6 107,-3.0 -2,-0.5 27,-0.1 -0.878 41.0 -77.8-129.1 168.7 14.7 -0.2 1.6 93 93 A P E > -L 198 0B 30 0, 0.0 3,-1.6 0, 0.0 105,-0.2 -0.373 63.6 -98.9 -57.4 147.9 15.1 -0.8 -2.2 94 94 A V T 3 S+ 0 0 51 103,-0.5 104,-0.1 1,-0.3 -2,-0.1 0.760 108.7 14.3 -50.5 -47.0 11.8 0.0 -3.8 95 95 A N T 3 S+ 0 0 142 104,-0.0 -1,-0.3 2,-0.0 103,-0.0 0.259 85.1 153.1-114.3 23.1 10.1 -3.3 -4.4 96 96 A S < - 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