==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 16-NOV-99 1QOT . COMPND 2 MOLECULE: CHITIN BINDING LECTIN, UEA-II; . SOURCE 2 ORGANISM_SCIENTIFIC: ULEX EUROPAEUS; . AUTHOR R.LORIS,H.DE GREVE,M.-H.DAO-THI,J.MESSENS,A.IMBERTY,L.WYNS . 942 5 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 633 67.2 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 . 396 42.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 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 . 4 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 . 100 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 4 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 12 2 4 8 12 4 12 4 0 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 4 0 0 0 0 0 0 0 2 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 3 A S 0 0 57 0, 0.0 2,-0.1 0, 0.0 242,-0.0 0.000 360.0 360.0 360.0-148.8 81.0 1.2 76.2 2 4 A D - 0 0 35 1,-0.1 232,-0.2 232,-0.1 241,-0.2 -0.367 360.0-109.9 -74.7 156.5 81.0 5.1 76.1 3 5 A D S S- 0 0 29 1,-0.2 240,-1.8 239,-0.2 2,-0.3 0.868 94.5 -7.6 -53.9 -39.5 81.8 7.2 79.2 4 6 A L E +AB 233 242A 11 229,-1.8 229,-2.0 238,-0.2 2,-0.3 -0.990 56.8 168.1-160.4 149.3 78.2 8.4 79.4 5 7 A S E +AB 232 241A 12 236,-1.3 236,-1.3 -2,-0.3 2,-0.3 -0.837 10.4 172.3-165.9 119.9 74.9 8.3 77.5 6 8 A F E -AB 231 240A 1 225,-2.6 225,-2.4 -2,-0.3 2,-0.4 -0.933 10.9-161.0-129.8 158.9 71.4 9.4 78.7 7 9 A N E -A 230 0A 16 232,-2.1 2,-0.5 -2,-0.3 223,-0.2 -0.982 8.2-172.2-147.1 129.3 68.0 9.8 77.1 8 10 A F E +A 229 0A 4 221,-2.6 221,-2.5 -2,-0.4 3,-0.1 -0.976 5.4 177.5-119.8 113.3 64.8 11.7 78.1 9 11 A D S S- 0 0 108 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.628 81.4 -0.4 -85.9 -18.6 61.8 11.0 75.9 10 12 A K S S- 0 0 65 219,-0.1 2,-0.3 -3,-0.1 -1,-0.3 -0.939 77.6-120.9-159.3 161.5 59.7 13.2 78.1 11 13 A F - 0 0 3 19,-2.3 -3,-0.0 -2,-0.3 3,-0.0 -0.856 19.5-141.3-112.5 150.1 60.4 15.2 81.3 12 14 A V > - 0 0 4 -2,-0.3 3,-1.0 18,-0.0 14,-0.1 -0.853 35.5 -89.7-109.6 148.7 58.7 14.7 84.6 13 15 A P T 3 S+ 0 0 60 0, 0.0 3,-0.1 0, 0.0 14,-0.1 -0.359 114.7 5.1 -57.1 126.9 57.6 17.5 87.0 14 16 A N T 3 S- 0 0 118 12,-0.2 2,-0.3 1,-0.2 11,-0.0 0.934 84.4-163.1 60.2 51.3 60.6 18.0 89.3 15 17 A Q X - 0 0 5 -3,-1.0 3,-1.1 1,-0.1 -1,-0.2 -0.514 9.3-148.2 -63.9 121.9 62.9 15.6 87.6 16 18 A K T 3 S+ 0 0 108 -2,-0.3 -1,-0.1 1,-0.2 274,-0.0 0.509 90.3 58.8 -77.9 -2.9 65.7 15.0 90.1 17 19 A N T 3 S+ 0 0 14 271,-0.2 33,-2.7 32,-0.0 2,-0.4 0.125 95.6 74.1-108.8 18.6 68.5 14.4 87.7 18 20 A I E < S-P 49 0B 9 -3,-1.1 2,-0.6 31,-0.3 31,-0.2 -1.000 75.1-142.0-130.0 125.8 68.0 17.9 86.1 19 21 A I E -P 48 0B 60 29,-3.6 29,-2.4 -2,-0.4 2,-0.5 -0.830 16.7-149.8 -92.0 122.9 69.2 21.0 88.0 20 22 A F E +P 47 0B 59 -2,-0.6 2,-0.4 27,-0.2 27,-0.2 -0.808 17.3 178.9 -98.1 128.2 66.8 23.9 87.5 21 23 A Q E > -P 46 0B 12 25,-3.4 25,-2.8 -2,-0.5 3,-1.4 -0.947 54.3 -10.9-126.0 146.3 68.1 27.5 87.6 22 24 A G E 3 S-P 45 0B 54 -2,-0.4 23,-0.3 23,-0.3 13,-0.1 -0.353 126.7 -23.4 67.6-142.8 66.1 30.7 87.1 23 25 A D T 3 S+ 0 0 66 21,-3.2 -1,-0.2 11,-0.1 22,-0.2 0.351 98.4 129.7 -86.1 6.8 62.6 30.2 85.8 24 26 A A < + 0 0 9 -3,-1.4 2,-0.3 20,-0.2 10,-0.2 -0.273 25.2 138.1 -64.3 146.3 63.2 26.8 84.2 25 27 A S E -C 33 0A 50 8,-1.2 8,-2.7 10,-0.1 2,-0.5 -0.953 49.3-105.8-175.5 165.8 60.8 24.0 85.1 26 28 A V E -C 32 0A 14 -2,-0.3 6,-0.2 6,-0.2 -12,-0.2 -0.944 32.1-136.5-115.4 123.2 58.9 21.1 83.5 27 29 A S > - 0 0 19 4,-2.0 3,-1.7 -2,-0.5 4,-0.1 -0.121 30.2-101.9 -65.6 169.6 55.1 21.4 82.9 28 30 A T T 3 S+ 0 0 138 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.600 119.7 68.5 -71.1 -11.5 52.6 18.7 83.7 29 31 A T T 3 S- 0 0 120 2,-0.2 -1,-0.3 -17,-0.1 -18,-0.1 0.485 119.5-108.8 -84.0 -3.5 52.6 17.9 80.0 30 32 A G S < S+ 0 0 11 -3,-1.7 -19,-2.3 1,-0.3 2,-0.4 0.735 75.0 131.9 84.8 24.9 56.1 16.6 80.4 31 33 A V - 0 0 24 -21,-0.2 -4,-2.0 -4,-0.1 2,-0.8 -0.898 58.1-124.9-113.9 138.7 57.9 19.4 78.5 32 34 A L E -CD 26 226A 1 194,-2.3 194,-2.7 -2,-0.4 2,-1.1 -0.734 21.2-166.7 -82.4 109.0 60.9 21.4 79.7 33 35 A Q E +CD 25 225A 32 -8,-2.7 -8,-1.2 -2,-0.8 192,-0.2 -0.808 8.6 179.7 -97.6 91.7 60.0 25.1 79.7 34 36 A V S S+ 0 0 0 190,-1.7 2,-0.4 -2,-1.1 179,-0.3 0.840 75.7 51.1 -62.0 -28.7 63.4 26.6 80.1 35 37 A T S S- 0 0 0 189,-0.7 189,-0.4 -3,-0.2 -1,-0.1 -0.920 102.5-105.3-113.9 132.6 61.6 29.9 79.9 36 38 A K - 0 0 86 -2,-0.4 2,-0.5 187,-0.1 5,-0.3 -0.279 29.6-160.0 -59.0 130.9 58.6 30.7 82.1 37 39 A V 0 0 56 -4,-0.1 -1,-0.1 3,-0.1 186,-0.0 -0.978 360.0 360.0-120.6 119.3 55.2 30.6 80.4 38 40 A S 0 0 107 -2,-0.5 3,-0.1 3,-0.1 0, 0.0 -0.711 360.0 360.0-158.7 360.0 52.3 32.4 82.1 39 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 40 43 A T 0 0 101 0, 0.0 2,-0.3 0, 0.0 178,-0.1 0.000 360.0 360.0 360.0 148.2 53.2 37.0 81.3 41 44 A T - 0 0 56 -5,-0.3 176,-0.1 -3,-0.1 -3,-0.1 -1.000 360.0 -80.3-169.2 161.6 56.7 38.2 82.3 42 45 A T - 0 0 82 -2,-0.3 2,-0.3 174,-0.1 174,-0.2 -0.370 58.9-177.1 -59.5 145.5 60.4 38.8 81.7 43 46 A S E - Q 0 215B 1 172,-2.5 172,-2.9 -8,-0.0 2,-0.3 -0.998 32.1-178.3-158.7 151.0 62.4 35.6 82.2 44 47 A I E + Q 0 214B 33 -2,-0.3 -21,-3.2 170,-0.2 2,-0.3 -0.987 20.8 164.7-144.7 133.8 65.7 33.7 82.4 45 48 A G E -PQ 22 213B 0 168,-2.0 168,-1.8 -2,-0.3 2,-0.3 -0.996 16.0-169.7-153.3 152.1 66.1 30.0 83.0 46 49 A R E -PQ 21 212B 0 -25,-2.8 -25,-3.4 -2,-0.3 2,-0.4 -0.995 4.1-164.8-142.5 143.2 68.7 27.2 82.8 47 50 A A E -PQ 20 211B 1 164,-2.9 164,-2.1 -2,-0.3 2,-0.3 -0.988 12.7-175.6-131.7 121.5 68.4 23.4 83.1 48 51 A L E -PQ 19 210B 1 -29,-2.4 -29,-3.6 -2,-0.4 2,-0.3 -0.876 34.7-106.0-117.8 151.1 71.5 21.2 83.6 49 52 A Y E -P 18 0B 2 160,-2.3 -31,-0.3 -2,-0.3 160,-0.2 -0.601 39.7-121.6 -71.4 132.8 72.0 17.5 83.8 50 53 A A S S+ 0 0 13 -33,-2.7 -32,-0.1 -2,-0.3 -1,-0.1 0.658 89.2 64.3 -51.0 -27.8 72.6 16.8 87.5 51 54 A A S S- 0 0 0 -34,-0.3 158,-0.3 238,-0.1 202,-0.1 -0.842 82.2-121.4-107.8 140.4 76.0 15.2 87.0 52 55 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 156,-0.2 -0.334 24.5-139.7 -70.5 158.0 79.2 16.8 85.6 53 56 A I E -R 207 0B 6 154,-3.4 154,-3.0 199,-0.0 2,-1.0 -0.967 11.4-126.4-124.8 135.2 80.9 15.3 82.5 54 57 A Q E +R 206 0B 6 -2,-0.4 152,-0.2 152,-0.2 151,-0.1 -0.741 28.8 177.7 -82.7 106.1 84.6 14.9 81.9 55 58 A I + 0 0 0 150,-2.0 9,-3.1 -2,-1.0 2,-0.3 0.668 66.1 1.3 -84.3 -19.0 85.1 16.6 78.6 56 59 A W B -W 63 0C 44 149,-1.1 2,-0.5 7,-0.3 7,-0.2 -0.973 68.0-125.4-162.5 158.2 88.9 16.1 78.5 57 60 A D > - 0 0 4 5,-2.6 4,-2.3 -2,-0.3 143,-0.0 -0.960 5.7-164.3-117.3 124.7 91.7 14.5 80.6 58 61 A S T 4 S+ 0 0 69 -2,-0.5 -1,-0.1 2,-0.2 0, 0.0 0.776 91.9 55.5 -73.0 -28.2 94.8 16.3 81.8 59 62 A I T 4 S+ 0 0 123 1,-0.1 -1,-0.1 3,-0.1 -2,-0.0 0.988 124.8 19.2 -66.8 -60.2 96.5 13.0 82.6 60 63 A T T 4 S- 0 0 85 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.793 94.9-127.3 -82.9 -32.1 96.2 11.4 79.2 61 64 A G < + 0 0 25 -4,-2.3 -3,-0.1 1,-0.3 139,-0.1 0.255 57.0 149.7 99.4 -11.9 95.5 14.5 77.0 62 65 A K - 0 0 108 -6,-0.1 -5,-2.6 173,-0.1 2,-0.4 -0.184 34.3-152.2 -55.2 142.9 92.4 12.8 75.6 63 66 A V B -W 56 0C 35 -7,-0.2 -7,-0.3 -3,-0.1 2,-0.2 -0.940 19.1-118.0-119.8 139.3 89.5 15.0 74.5 64 67 A A - 0 0 0 -9,-3.1 2,-0.4 -2,-0.4 171,-0.2 -0.491 14.9-149.1 -78.6 144.9 85.9 13.7 74.5 65 68 A S E +E 234 0A 40 169,-2.1 169,-1.9 -2,-0.2 2,-0.3 -0.889 26.0 178.9-105.9 142.2 83.7 13.5 71.4 66 69 A F E -EF 233 171A 12 105,-1.4 105,-2.7 -2,-0.4 2,-0.3 -0.960 19.5-163.9-143.4 164.2 80.0 13.9 72.1 67 70 A A E -EF 232 170A 30 165,-2.4 165,-2.3 -2,-0.3 2,-0.3 -0.982 9.2-174.3-145.2 147.0 76.7 14.0 70.3 68 71 A T E -EF 231 169A 2 101,-2.5 101,-2.9 -2,-0.3 2,-0.4 -0.990 5.6-168.8-145.4 150.7 73.4 15.4 71.4 69 72 A S E +EF 230 168A 24 161,-2.6 161,-3.4 -2,-0.3 2,-0.3 -0.998 16.4 154.3-140.7 138.6 69.9 15.4 70.0 70 73 A F E -EF 229 167A 0 97,-1.8 97,-2.7 -2,-0.4 2,-0.5 -0.984 30.6-136.6-161.8 154.8 66.8 17.3 71.1 71 74 A S E +EF 228 166A 14 157,-1.0 156,-3.7 -2,-0.3 157,-0.9 -0.976 28.0 176.6-120.4 129.7 63.5 18.6 69.8 72 75 A F E -EF 226 165A 1 93,-1.7 93,-2.8 -2,-0.5 2,-0.4 -0.868 18.7-151.9-131.5 165.0 62.3 22.1 70.7 73 76 A V E -EF 225 164A 20 152,-2.3 152,-2.2 -2,-0.3 2,-0.5 -0.996 2.0-167.7-137.1 136.0 59.5 24.5 70.0 74 77 A V - 0 0 2 89,-0.5 88,-2.0 86,-0.4 2,-0.6 -0.958 14.5-175.0-126.7 103.9 59.5 28.3 70.1 75 78 A K - 0 0 131 -2,-0.5 148,-1.5 86,-0.2 2,-0.3 -0.922 4.7-163.8-108.7 113.1 56.0 29.6 69.9 76 79 A A B -X 222 0D 7 -2,-0.6 146,-0.2 146,-0.3 5,-0.1 -0.707 18.4-144.4 -95.0 144.1 55.5 33.4 69.7 77 80 A D S S+ 0 0 122 144,-1.6 -1,-0.1 -2,-0.3 145,-0.1 0.950 92.4 32.5 -69.3 -51.3 52.1 35.1 70.4 78 81 A K S S- 0 0 127 2,-0.5 -2,-0.1 143,-0.4 142,-0.0 0.044 114.5 -83.0 -84.9-159.9 52.7 37.7 67.7 79 82 A S S S+ 0 0 97 1,-0.0 2,-0.3 82,-0.0 82,-0.1 0.647 114.2 41.3 -82.0 -14.8 54.6 37.0 64.5 80 83 A D + 0 0 61 141,-0.1 -2,-0.5 -5,-0.1 2,-0.3 -0.935 64.8 176.9-133.5 155.9 57.8 37.6 66.4 81 84 A G - 0 0 0 -2,-0.3 2,-0.3 45,-0.2 140,-0.2 -0.850 18.7 -90.2-146.8 179.4 59.4 36.8 69.7 82 85 A V - 0 0 3 138,-1.3 140,-0.3 -2,-0.3 2,-0.1 -0.941 61.3 -8.6-145.3 156.8 62.4 37.1 72.0 83 86 A D - 0 0 10 -2,-0.3 43,-1.7 132,-0.1 44,-1.3 -0.939 65.4-125.4-114.5 -27.9 65.0 36.1 73.0 84 87 A G E -ST 125 214B 0 130,-1.0 130,-1.5 41,-0.2 2,-0.3 -0.798 13.0 -96.4 146.6 178.3 66.1 32.6 72.1 85 88 A L E -ST 124 213B 1 39,-1.8 39,-3.1 -2,-0.2 2,-0.3 -0.892 28.6-166.5-130.1 155.6 67.3 29.2 73.4 86 89 A A E -ST 123 212B 0 126,-2.5 126,-2.1 -2,-0.3 2,-0.5 -1.000 18.3-149.9-150.4 143.0 70.8 27.7 73.8 87 90 A F E +ST 122 211B 3 35,-2.2 35,-2.9 -2,-0.3 2,-0.3 -0.966 38.4 174.8-106.6 131.0 72.5 24.4 74.4 88 91 A F E -ST 121 210B 0 122,-2.7 122,-1.8 -2,-0.5 2,-0.4 -0.928 38.0-144.6-143.3 163.7 75.7 24.9 76.3 89 92 A L E +ST 120 209B 5 31,-2.7 31,-1.9 -2,-0.3 120,-0.2 -0.984 35.1 165.8-121.4 126.1 78.7 23.4 78.1 90 93 A A E - 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