==== 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 15-SEP-97 1AVB . COMPND 2 MOLECULE: ARCELIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: PHASEOLUS VULGARIS; . AUTHOR L.MOUREY,J.D.PEDELACQ,C.FABRE,P.ROUGE,J.P.SAMAMA . 452 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18851.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 75.4 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 . 208 46.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 44 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 . 0 8 0 2 6 4 3 4 2 0 0 0 2 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 0 2 0 0 0 0 0 0 0 1 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 S 0 0 8 0, 0.0 235,-2.2 0, 0.0 236,-1.4 0.000 360.0 360.0 360.0 171.9 41.3 69.3 38.1 2 2 A N E -A 235 0A 5 233,-0.2 2,-0.3 234,-0.2 233,-0.2 -1.000 360.0-163.3-135.0 129.9 42.7 68.9 41.6 3 3 A D E -A 234 0A 23 231,-2.5 231,-2.7 -2,-0.4 2,-0.3 -0.842 15.6-179.8-107.6 154.5 45.0 71.2 43.5 4 4 A A E +AB 233 223A 8 219,-1.4 219,-2.6 -2,-0.3 2,-0.3 -0.995 11.0 169.3-155.3 147.7 46.9 70.0 46.6 5 5 A S E -AB 232 222A 32 227,-2.5 227,-2.6 -2,-0.3 2,-0.3 -0.973 4.1-178.9-152.9 158.6 49.3 71.3 49.2 6 6 A F E -AB 231 221A 6 215,-2.0 215,-2.2 -2,-0.3 2,-0.5 -0.970 15.8-148.6-157.6 152.1 50.7 70.2 52.5 7 7 A N E -AB 230 220A 42 223,-2.8 223,-2.5 -2,-0.3 2,-0.8 -0.970 8.7-166.8-131.2 111.4 53.1 71.6 55.0 8 8 A V E +AB 229 219A 0 211,-3.5 211,-2.3 -2,-0.5 221,-0.2 -0.900 17.9 164.3-100.9 103.9 55.2 69.2 57.0 9 9 A E S S+ 0 0 113 219,-2.4 2,-0.3 -2,-0.8 -1,-0.2 0.733 81.6 12.5 -87.4 -29.5 56.8 71.0 59.9 10 10 A T S S- 0 0 52 218,-1.3 -1,-0.4 -3,-0.2 19,-0.2 -0.964 91.8-114.8-146.5 128.6 57.7 67.7 61.6 11 11 A F + 0 0 7 17,-2.9 2,-0.3 -2,-0.3 18,-0.1 -0.274 30.3 178.7 -66.4 150.0 57.4 64.3 59.9 12 12 A N > - 0 0 50 16,-0.1 3,-1.1 1,-0.0 4,-0.1 -0.941 30.2-135.4-150.5 131.3 55.0 61.6 60.9 13 13 A K G > S+ 0 0 131 -2,-0.3 3,-1.9 1,-0.2 5,-0.1 0.718 90.0 85.0 -64.1 -19.0 54.7 58.2 59.1 14 14 A T G 3 S+ 0 0 52 1,-0.3 -1,-0.2 3,-0.1 -3,-0.0 0.828 98.1 34.1 -53.6 -39.1 50.9 58.4 59.1 15 15 A N G < S+ 0 0 4 -3,-1.1 34,-2.4 262,-0.1 2,-0.3 0.142 108.5 85.0-106.8 25.6 50.7 60.4 55.9 16 16 A L E < -P 48 0B 14 -3,-1.9 2,-0.7 32,-0.2 32,-0.2 -0.856 67.6-138.3-126.2 155.6 53.7 58.9 54.2 17 17 A I E -P 47 0B 61 30,-2.5 30,-1.8 -2,-0.3 2,-0.4 -0.965 31.0-161.4-109.4 107.3 54.4 55.9 52.1 18 18 A L E -P 46 0B 51 -2,-0.7 2,-0.3 28,-0.2 28,-0.2 -0.832 11.2-180.0 -97.3 135.2 57.7 54.6 53.4 19 19 A Q E > -P 45 0B 22 26,-3.0 26,-2.1 -2,-0.4 3,-1.6 -0.933 48.3 -8.7-132.3 153.1 59.8 52.2 51.3 20 20 A G E 3 S-P 44 0B 51 -2,-0.3 24,-0.3 24,-0.2 13,-0.1 -0.406 127.0 -19.7 66.8-133.4 63.2 50.5 51.8 21 21 A D T 3 S+ 0 0 56 22,-3.0 -1,-0.2 11,-0.3 23,-0.2 0.389 97.9 130.7 -90.8 3.0 65.1 51.7 54.9 22 22 A A < + 0 0 7 -3,-1.6 2,-0.3 21,-0.2 10,-0.2 -0.296 26.5 158.2 -62.2 134.6 63.2 55.0 55.2 23 23 A T E -C 31 0A 70 8,-2.1 8,-2.9 10,-0.1 2,-0.5 -0.918 39.4-117.1-148.2 168.8 61.8 55.8 58.7 24 24 A V E -C 30 0A 33 -2,-0.3 6,-0.2 6,-0.2 -11,-0.1 -0.975 31.3-135.6-114.5 126.5 60.7 58.8 60.7 25 25 A S > - 0 0 24 4,-2.6 3,-1.9 -2,-0.5 4,-0.1 -0.254 26.1-106.4 -75.5 168.3 62.7 59.6 63.9 26 26 A S T 3 S+ 0 0 118 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.778 122.0 62.4 -66.1 -24.1 61.2 60.5 67.2 27 27 A E T 3 S- 0 0 128 2,-0.1 -1,-0.3 1,-0.0 -16,-0.1 0.441 121.8-108.9 -78.7 -1.4 62.4 64.1 66.4 28 28 A G S < S+ 0 0 6 -3,-1.9 -17,-2.9 1,-0.3 2,-0.3 0.885 73.0 137.3 77.5 35.5 60.1 64.1 63.4 29 29 A H - 0 0 59 -19,-0.2 -4,-2.6 -4,-0.1 2,-0.7 -0.883 56.5-120.1-114.3 148.2 62.8 63.9 60.8 30 30 A L E -CD 24 216A 1 186,-2.9 186,-2.4 -2,-0.3 2,-0.9 -0.817 23.5-165.2 -90.8 113.2 62.7 61.7 57.7 31 31 A L E -CD 23 215A 18 -8,-2.9 -8,-2.1 -2,-0.7 184,-0.2 -0.853 7.6-178.5-100.1 100.2 65.6 59.3 57.7 32 32 A L + 0 0 0 182,-2.3 2,-0.3 -2,-0.9 -11,-0.3 0.874 67.5 29.6 -68.4 -38.1 65.8 58.0 54.1 33 33 A T S S- 0 0 2 181,-0.4 181,-0.2 9,-0.1 -10,-0.1 -0.801 104.6 -70.8-121.6 162.7 68.7 55.6 54.8 34 34 A N - 0 0 49 -2,-0.3 178,-0.1 4,-0.2 8,-0.1 -0.249 36.2-175.5 -54.0 131.5 70.0 53.7 57.8 35 35 A V S S+ 0 0 58 1,-0.1 2,-0.3 -4,-0.1 -1,-0.1 0.525 71.1 39.6-105.1 -9.4 71.5 55.9 60.5 36 36 A K S S- 0 0 165 2,-0.1 2,-0.2 3,-0.0 -1,-0.1 -0.972 110.9 -0.5-139.5 149.1 72.6 53.1 62.7 37 37 A G S S+ 0 0 76 -2,-0.3 2,-0.9 -3,-0.1 3,-0.1 -0.520 119.2 16.5 77.8-135.9 74.1 49.7 62.0 38 38 A N + 0 0 99 -2,-0.2 -4,-0.2 1,-0.2 -2,-0.1 -0.632 56.6 163.3 -82.7 104.8 74.7 48.7 58.4 39 39 A E > + 0 0 39 -2,-0.9 3,-1.6 -4,-0.1 173,-0.3 0.476 38.8 118.4 -94.8 -5.5 74.6 51.8 56.2 40 40 A E T 3 S- 0 0 81 1,-0.3 166,-0.3 171,-0.1 165,-0.1 -0.472 92.7 -7.0 -67.6 124.3 76.3 50.1 53.3 41 41 A D T 3 S+ 0 0 61 164,-2.2 -1,-0.3 163,-0.4 165,-0.1 0.735 91.9 164.6 62.0 25.5 74.0 49.9 50.3 42 42 A S < - 0 0 1 -3,-1.6 162,-2.6 163,-0.4 2,-0.3 -0.453 10.7-180.0 -71.8 145.8 71.1 51.4 52.4 43 43 A M E + Q 0 203B 18 160,-0.2 -22,-3.0 -2,-0.1 2,-0.3 -0.987 6.3 164.1-150.0 137.9 68.3 52.7 50.2 44 44 A G E -PQ 20 202B 0 158,-1.8 158,-1.9 -2,-0.3 2,-0.3 -0.991 12.9-167.6-154.7 156.0 65.0 54.3 51.1 45 45 A R E -PQ 19 201B 2 -26,-2.1 -26,-3.0 -2,-0.3 2,-0.3 -0.961 1.6-171.0-142.5 158.0 62.1 56.3 49.7 46 46 A A E -PQ 18 200B 1 154,-2.4 154,-2.5 -2,-0.3 2,-0.3 -0.963 5.6-179.1-155.2 131.3 59.2 58.2 51.0 47 47 A F E -PQ 17 199B 4 -30,-1.8 -30,-2.5 -2,-0.3 152,-0.2 -0.917 37.8 -97.7-132.3 155.6 56.2 59.8 49.3 48 48 A Y E -P 16 0B 2 150,-2.2 -32,-0.2 -2,-0.3 150,-0.2 -0.531 39.5-122.8 -67.9 139.9 53.2 61.8 50.4 49 49 A S S S+ 0 0 35 -34,-2.4 -1,-0.1 -2,-0.2 -33,-0.1 0.697 90.6 71.1 -61.3 -22.2 50.2 59.4 50.7 50 50 A A S S- 0 0 0 -35,-0.3 148,-0.3 228,-0.1 -2,-0.1 -0.844 85.0-121.8-103.3 129.4 48.0 61.3 48.2 51 51 A P - 0 0 12 0, 0.0 2,-0.5 0, 0.0 146,-0.2 -0.309 23.7-134.1 -61.3 151.4 48.7 61.3 44.5 52 52 A I E -R 196 0B 1 144,-3.2 144,-2.3 -4,-0.1 2,-0.5 -0.936 13.5-128.8-112.1 127.9 49.3 64.7 42.9 53 53 A Q E +R 195 0B 6 -2,-0.5 142,-0.2 142,-0.2 3,-0.1 -0.661 33.8 165.5 -79.7 126.5 47.5 65.5 39.6 54 54 A I + 0 0 0 140,-3.3 9,-2.1 -2,-0.5 2,-0.5 0.746 66.4 36.0-106.3 -39.5 50.0 66.8 37.0 55 55 A N E -W 62 0C 18 139,-2.0 2,-0.9 7,-0.2 -1,-0.3 -0.970 56.3-170.6-126.0 117.4 48.0 66.6 33.7 56 56 A D E >>> -W 61 0C 10 5,-1.7 5,-1.4 -2,-0.5 3,-1.2 -0.895 8.1-171.5-105.2 96.1 44.3 67.1 33.5 57 57 A R G >45S+ 0 0 164 -2,-0.9 3,-1.2 1,-0.2 -1,-0.2 0.888 77.2 66.3 -55.4 -42.6 43.5 66.0 30.0 58 58 A T G 345S+ 0 0 121 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.703 111.2 34.6 -55.0 -24.6 39.9 67.2 30.0 59 59 A I G <45S- 0 0 95 -3,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.474 100.1-127.7-111.3 -2.3 41.1 70.8 30.2 60 60 A D T <<5S+ 0 0 160 -3,-1.2 2,-0.3 -4,-0.7 -3,-0.2 0.947 70.6 128.8 53.9 46.4 44.3 70.6 28.1 61 61 A N E < -W 56 0C 40 -5,-1.4 -5,-1.7 164,-0.0 2,-0.4 -0.962 49.5-148.2-135.6 149.2 46.0 72.2 31.1 62 62 A L E -W 55 0C 21 -2,-0.3 164,-0.6 -7,-0.2 -7,-0.2 -0.931 19.5-120.1-121.9 144.6 49.1 71.4 33.2 63 63 A A E -E 225 0A 0 -9,-2.1 2,-0.3 -2,-0.4 162,-0.2 -0.426 16.4-148.2 -80.6 150.0 49.7 72.1 36.9 64 64 A S E -E 224 0A 27 160,-2.5 160,-2.5 -2,-0.1 2,-0.3 -0.820 20.9-168.3-110.2 154.4 52.5 74.2 38.1 65 65 A F E -EF 223 160A 10 95,-1.6 95,-3.0 -2,-0.3 2,-0.4 -0.980 18.2-162.4-145.3 162.1 54.1 73.4 41.5 66 66 A S E -EF 222 159A 48 156,-2.4 156,-2.3 -2,-0.3 2,-0.3 -0.987 12.1-178.3-141.5 138.9 56.4 74.7 44.2 67 67 A T E -EF 221 158A 1 91,-2.5 91,-2.7 -2,-0.4 2,-0.4 -0.986 5.9-171.3-145.5 133.9 58.2 72.7 46.9 68 68 A N E +EF 220 157A 64 152,-2.4 152,-2.9 -2,-0.3 2,-0.3 -0.975 17.3 155.3-122.5 140.4 60.5 73.7 49.7 69 69 A F E -EF 219 156A 4 87,-1.8 87,-2.9 -2,-0.4 2,-0.4 -0.987 29.6-138.3-159.4 158.6 62.4 71.4 52.0 70 70 A T E +EF 218 155A 14 148,-1.9 147,-2.7 -2,-0.3 148,-0.9 -0.955 24.7 177.0-121.7 145.9 65.4 71.3 54.1 71 71 A F E -EF 216 154A 0 83,-1.9 83,-2.8 -2,-0.4 2,-0.4 -0.913 19.3-151.8-142.3 169.4 67.8 68.4 54.4 72 72 A R E -EF 215 153A 82 143,-2.4 143,-2.5 -2,-0.3 2,-0.5 -0.980 6.0-165.4-145.0 125.3 71.1 67.3 56.0 73 73 A I E -E 214 0A 9 79,-0.6 78,-2.7 -2,-0.4 2,-0.5 -0.951 7.7-169.2-110.9 134.0 73.5 64.8 54.6 74 74 A N E -E 213 0A 82 139,-1.3 139,-2.1 -2,-0.5 2,-0.3 -0.936 6.1-171.5-130.3 107.8 76.1 63.5 57.0 75 75 A A E -E 212 0A 9 -2,-0.5 3,-0.3 137,-0.2 137,-0.2 -0.775 26.9-142.9-102.0 151.8 79.0 61.5 55.7 76 76 A K S S+ 0 0 148 135,-1.4 2,-0.5 -2,-0.3 -1,-0.1 0.878 101.5 23.0 -72.6 -43.0 81.7 59.5 57.5 77 77 A N S > S- 0 0 67 134,-0.5 3,-1.9 132,-0.3 4,-0.3 -0.912 73.3-157.4-132.1 102.5 84.4 60.5 55.0 78 78 A I T 3 S+ 0 0 66 -2,-0.5 69,-0.1 -3,-0.3 -1,-0.1 0.513 91.3 52.6 -60.3 -7.6 83.5 63.8 53.2 79 79 A E T 3 S+ 0 0 161 1,-0.1 -1,-0.3 68,-0.1 131,-0.1 0.564 117.2 32.9-104.8 -8.6 85.8 62.9 50.2 80 80 A N S < S+ 0 0 92 -3,-1.9 -2,-0.2 129,-0.3 2,-0.2 0.067 83.8 129.5-135.5 28.3 84.5 59.4 49.5 81 81 A S - 0 0 14 -4,-0.3 2,-0.3 43,-0.2 130,-0.2 -0.494 41.0-125.5 -88.2 159.0 80.7 59.5 50.2 82 82 A A - 0 0 8 128,-2.0 123,-2.0 -2,-0.2 2,-0.1 -0.939 39.4 -16.3-156.6 160.6 77.9 58.3 48.0 83 83 A Y E -S 204 0B 53 121,-0.4 41,-1.5 -2,-0.3 42,-1.0 -0.828 61.4-131.1-113.1 -36.0 75.4 58.5 46.5 84 84 A G E -ST 203 123B 0 119,-1.5 119,-1.5 39,-0.2 2,-0.3 -0.926 14.8 -87.7 151.8-176.4 72.9 61.2 47.2 85 85 A L E -ST 202 122B 0 37,-1.5 37,-3.3 -2,-0.3 2,-0.3 -0.932 35.4-166.4-128.2 148.6 69.4 62.3 48.0 86 86 A A E -ST 201 121B 0 115,-2.3 115,-1.7 -2,-0.3 2,-0.5 -0.993 22.3-140.7-143.1 146.5 66.7 63.2 45.4 87 87 A F E -ST 200 120B 5 33,-2.3 33,-2.6 -2,-0.3 2,-0.3 -0.916 42.3-174.5 -98.2 133.7 63.3 64.8 45.2 88 88 A A E -ST 199 119B 0 111,-3.3 111,-1.9 -2,-0.5 2,-0.5 -0.940 37.2-150.0-140.0 155.5 61.3 62.8 42.8 89 89 A L E +ST 198 118B 3 29,-2.5 29,-1.8 -2,-0.3 109,-0.2 -0.997 38.5 169.1-117.0 117.5 58.0 62.5 40.8 90 90 A V E -S 197 0B 0 107,-2.4 107,-2.5 -2,-0.5 27,-0.1 -0.845 40.5 -78.7-129.3 166.7 57.3 58.8 40.3 91 91 A P E > -S 196 0B 19 0, 0.0 3,-2.0 0, 0.0 105,-0.2 -0.388 57.8 -97.9 -65.0 143.5 54.4 56.7 39.1 92 92 A V T 3 S+ 0 0 62 103,-0.5 103,-0.0 1,-0.3 149,-0.0 -0.361 108.8 14.1 -61.9 134.2 51.7 56.1 41.7 93 93 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.3 -3,-0.1 103,-0.0 0.411 90.9 151.3 80.7 -1.2 52.2 52.7 43.4 94 94 A S < - 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