==== 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 1QOS . 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 . 472 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18498.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 64.8 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 . 192 40.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.3 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 . 47 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 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 6 0 2 4 6 4 4 2 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 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 3 A S 0 0 152 0, 0.0 2,-0.1 0, 0.0 234,-0.0 0.000 360.0 360.0 360.0 178.6 -17.2 94.4 29.2 2 4 A D - 0 0 90 1,-0.1 233,-0.2 233,-0.1 3,-0.1 -0.278 360.0-104.9 -78.8 167.5 -16.3 94.0 25.4 3 5 A D S S+ 0 0 104 231,-0.2 2,-0.3 1,-0.2 232,-0.2 0.945 98.2 6.9 -58.6 -54.5 -15.7 96.7 22.9 4 6 A L E +A 234 0A 48 230,-2.2 230,-2.1 2,-0.0 2,-0.3 -0.979 61.3 164.4-135.0 150.4 -19.0 96.5 21.1 5 7 A S E +A 233 0A 70 -2,-0.3 2,-0.3 228,-0.2 228,-0.3 -0.897 6.6 168.2-164.9 122.9 -22.3 94.6 21.6 6 8 A F E -A 232 0A 17 226,-3.1 226,-2.8 -2,-0.3 2,-0.4 -0.990 12.8-163.5-146.2 140.0 -25.7 95.1 20.1 7 9 A N E -A 231 0A 82 -2,-0.3 2,-0.5 224,-0.2 224,-0.2 -0.959 4.6-172.3-124.1 137.7 -29.0 93.3 20.0 8 10 A F E +A 230 0A 22 222,-1.8 222,-2.1 -2,-0.4 3,-0.1 -0.928 5.0 178.6-128.8 101.3 -32.0 93.7 17.7 9 11 A D S S- 0 0 118 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.837 80.8 -7.0 -68.7 -35.4 -35.0 91.6 18.7 10 12 A K S S- 0 0 122 -3,-0.1 2,-0.3 220,-0.1 -1,-0.3 -0.936 76.7-118.8-152.1 161.1 -36.9 93.1 15.8 11 13 A F - 0 0 2 19,-2.5 -3,-0.0 -2,-0.3 3,-0.0 -0.726 20.4-141.5-105.5 157.5 -36.2 95.9 13.4 12 14 A V > - 0 0 63 -2,-0.3 3,-0.6 17,-0.0 2,-0.2 -0.868 35.1 -88.4-115.6 151.8 -38.3 99.0 13.0 13 15 A P T 3 S+ 0 0 67 0, 0.0 14,-0.1 0, 0.0 19,-0.0 -0.446 111.7 4.8 -62.3 129.6 -39.2 100.8 9.7 14 16 A N T 3 S- 0 0 139 1,-0.2 2,-0.3 -2,-0.2 11,-0.0 0.975 87.1-161.1 58.3 59.7 -36.4 103.3 8.8 15 17 A Q X - 0 0 22 -3,-0.6 3,-0.9 1,-0.1 -1,-0.2 -0.557 11.7-144.5 -71.2 132.0 -34.2 102.4 11.7 16 18 A K T 3 S+ 0 0 198 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.682 93.0 55.1 -74.4 -21.6 -31.6 105.1 12.3 17 19 A N T 3 S+ 0 0 61 34,-0.1 34,-2.4 33,-0.0 2,-0.4 0.124 97.4 75.8 -99.4 21.7 -28.7 102.9 13.2 18 20 A I E < S-H 50 0B 11 -3,-0.9 2,-0.6 32,-0.3 32,-0.2 -0.997 72.5-140.1-132.6 134.7 -28.8 100.8 10.1 19 21 A I E -H 49 0B 57 30,-3.7 30,-2.1 -2,-0.4 2,-0.5 -0.865 16.8-153.0 -97.5 119.0 -27.6 101.9 6.7 20 22 A F E +H 48 0B 65 -2,-0.6 2,-0.4 28,-0.2 28,-0.2 -0.834 15.9 177.7 -96.7 127.0 -29.8 100.8 3.9 21 23 A Q E > -H 47 0B 18 26,-2.7 26,-2.8 -2,-0.5 3,-0.9 -0.991 54.7 -13.0-127.4 135.4 -28.3 100.3 0.4 22 24 A G E 3 S-H 46 0B 57 -2,-0.4 24,-0.3 24,-0.2 13,-0.1 -0.522 125.7 -22.3 78.2-144.8 -30.2 99.1 -2.6 23 25 A D T 3 S+ 0 0 60 22,-2.6 -1,-0.2 11,-0.2 23,-0.2 0.403 96.8 131.9 -83.1 1.3 -33.6 97.6 -2.2 24 26 A A < + 0 0 8 -3,-0.9 2,-0.3 21,-0.2 10,-0.2 -0.284 27.5 142.5 -57.7 134.5 -33.0 96.7 1.5 25 27 A S E -B 33 0A 50 8,-1.8 8,-2.6 10,-0.1 2,-0.5 -0.963 46.8-112.9-162.6 173.7 -35.8 97.8 3.8 26 28 A V E -B 32 0A 16 -2,-0.3 6,-0.2 6,-0.3 -12,-0.1 -0.970 28.3-137.3-127.0 117.0 -37.8 96.9 6.8 27 29 A S > - 0 0 26 4,-2.0 3,-2.0 -2,-0.5 4,-0.2 -0.180 29.4-104.7 -65.9 162.7 -41.5 96.0 6.6 28 30 A T T 3 S+ 0 0 136 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.504 118.2 67.9 -67.6 -6.4 -44.1 97.2 9.1 29 31 A T T 3 S- 0 0 119 2,-0.2 -1,-0.3 -17,-0.1 -2,-0.1 0.440 121.4-105.8 -89.4 -3.8 -44.2 93.8 10.7 30 32 A G S < S+ 0 0 13 -3,-2.0 -19,-2.5 1,-0.3 2,-0.4 0.627 75.4 132.1 90.9 16.9 -40.6 94.5 11.9 31 33 A V - 0 0 22 -21,-0.2 -4,-2.0 -4,-0.2 2,-0.8 -0.850 55.3-128.9-107.8 136.4 -38.6 92.3 9.5 32 34 A L E -BC 26 227A 2 195,-2.0 195,-2.7 -2,-0.4 2,-1.0 -0.713 20.9-166.1 -82.7 108.1 -35.5 93.3 7.6 33 35 A Q E -BC 25 226A 31 -8,-2.6 -8,-1.8 -2,-0.8 193,-0.2 -0.826 9.6-178.3 -97.0 97.6 -36.1 92.4 3.9 34 36 A V S S+ 0 0 0 191,-1.9 2,-0.4 -2,-1.0 180,-0.3 0.775 74.9 56.2 -66.5 -22.3 -32.6 92.7 2.3 35 37 A T S S- 0 0 0 190,-0.7 190,-0.3 -3,-0.1 2,-0.1 -0.893 102.6-100.8-113.1 137.7 -34.3 91.7 -0.9 36 38 A K - 0 0 78 -2,-0.4 2,-0.7 6,-0.1 6,-0.2 -0.353 30.2-159.5 -60.0 126.0 -37.3 93.5 -2.4 37 39 A V + 0 0 53 -2,-0.1 2,-0.3 -4,-0.1 -1,-0.1 -0.882 34.9 138.2-111.2 97.1 -40.6 91.8 -1.6 38 40 A S - 0 0 49 -2,-0.7 4,-0.1 4,-0.1 -2,-0.0 -0.952 51.1 -95.1-142.6 162.6 -43.2 93.0 -4.2 39 41 A K S S+ 0 0 102 -2,-0.3 2,-0.1 2,-0.1 -2,-0.0 -0.984 113.9 33.0-121.6 116.9 -46.1 92.1 -6.5 40 42 A P S S- 0 0 120 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.599 109.5-115.9 -73.8 163.7 -45.2 91.6 -9.2 41 43 A T - 0 0 47 178,-0.2 2,-0.3 -2,-0.1 -2,-0.1 -0.459 36.2-164.2 -67.7 132.0 -41.8 90.2 -8.3 42 44 A T - 0 0 62 -6,-0.2 176,-0.1 -2,-0.2 -4,-0.1 -0.890 28.5 -95.1-123.3 152.1 -38.8 92.3 -9.6 43 45 A T + 0 0 92 -2,-0.3 2,-0.3 174,-0.1 174,-0.2 -0.363 59.4 178.6 -59.2 134.9 -35.0 91.8 -10.1 44 46 A S E - I 0 216B 5 172,-2.2 172,-2.5 -8,-0.0 2,-0.3 -0.991 33.5-175.1-152.0 157.1 -33.3 93.1 -6.9 45 47 A I E + I 0 215B 39 -2,-0.3 -22,-2.6 170,-0.2 2,-0.3 -0.982 20.5 164.3-147.7 133.1 -30.1 93.7 -4.8 46 48 A G E -HI 22 214B 0 168,-2.0 168,-1.9 -2,-0.3 2,-0.3 -0.993 16.3-170.6-153.0 155.8 -29.8 95.0 -1.3 47 49 A R E -HI 21 213B 0 -26,-2.8 -26,-2.7 -2,-0.3 2,-0.4 -0.993 5.2-163.7-146.4 141.4 -27.5 95.4 1.7 48 50 A A E -HI 20 212B 3 164,-2.5 164,-2.3 -2,-0.3 2,-0.3 -0.998 13.8-177.4-129.3 127.9 -28.0 96.6 5.3 49 51 A L E -HI 19 211B 1 -30,-2.1 -30,-3.7 -2,-0.4 2,-0.3 -0.945 34.9-104.6-127.1 150.8 -25.1 97.6 7.6 50 52 A Y E -H 18 0B 38 160,-2.3 -32,-0.3 -2,-0.3 160,-0.2 -0.550 37.7-126.0 -70.2 132.1 -24.8 98.7 11.2 51 53 A A S S+ 0 0 36 -34,-2.4 -1,-0.1 -2,-0.3 -33,-0.1 0.801 87.9 67.0 -50.2 -43.6 -24.3 102.5 11.1 52 54 A A S S- 0 0 42 -35,-0.3 158,-0.3 1,-0.1 -2,-0.1 -0.640 83.9-124.1 -86.0 138.8 -21.1 102.6 13.2 53 55 A P - 0 0 49 0, 0.0 2,-0.4 0, 0.0 156,-0.2 -0.393 23.2-132.8 -72.7 160.6 -17.8 101.1 11.8 54 56 A I E -J 208 0B 7 154,-3.0 154,-2.7 -2,-0.1 2,-1.1 -0.947 8.5-129.7-118.4 137.2 -16.0 98.5 13.9 55 57 A Q E +J 207 0B 48 -2,-0.4 152,-0.3 152,-0.2 151,-0.1 -0.772 30.3 177.6 -82.7 105.0 -12.3 98.4 14.7 56 58 A I + 0 0 0 150,-3.2 9,-2.7 -2,-1.1 2,-0.3 0.721 63.9 1.7 -83.4 -22.7 -11.6 94.8 13.7 57 59 A W B -O 64 0C 45 149,-0.8 2,-0.5 7,-0.2 -1,-0.2 -0.972 69.5-123.0-158.6 156.9 -7.8 94.9 14.4 58 60 A D > - 0 0 27 5,-2.1 4,-2.8 -2,-0.3 5,-0.2 -0.927 8.0-165.9-114.5 117.5 -5.3 97.5 15.7 59 61 A S T 4 S+ 0 0 66 -2,-0.5 -1,-0.1 1,-0.2 142,-0.0 0.857 93.3 56.8 -64.4 -34.1 -2.2 98.5 13.6 60 62 A I T 4 S+ 0 0 147 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.897 124.6 18.6 -64.1 -42.7 -0.7 100.0 16.7 61 63 A T T 4 S- 0 0 78 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.521 91.1-129.0-109.1 -11.1 -0.8 96.8 18.8 62 64 A G < + 0 0 29 -4,-2.8 -3,-0.1 1,-0.2 2,-0.1 0.375 58.4 144.8 77.6 -7.0 -1.2 94.0 16.3 63 65 A K - 0 0 110 -5,-0.2 -5,-2.1 173,-0.1 2,-0.4 -0.382 38.2-149.1 -66.5 139.3 -4.2 92.6 18.3 64 66 A V B -O 57 0C 30 -7,-0.2 -7,-0.2 -2,-0.1 2,-0.1 -0.909 16.4-120.4-113.0 138.5 -7.1 91.0 16.3 65 67 A A - 0 0 0 -9,-2.7 2,-0.5 -2,-0.4 171,-0.3 -0.410 14.1-145.2 -77.1 148.6 -10.7 91.2 17.5 66 68 A S E -D 235 0A 45 169,-2.8 169,-1.3 107,-0.1 2,-0.3 -0.959 26.4-177.9-110.8 130.7 -12.8 88.1 18.2 67 69 A F E -DE 234 172A 11 105,-0.8 105,-2.7 -2,-0.5 2,-0.3 -0.812 18.3-164.9-127.5 171.3 -16.4 88.4 17.3 68 70 A A E -DE 233 171A 32 165,-2.3 165,-2.3 -2,-0.3 2,-0.4 -0.962 7.9-174.8-154.0 135.5 -19.6 86.5 17.4 69 71 A T E -DE 232 170A 2 101,-2.6 101,-2.9 -2,-0.3 2,-0.4 -0.993 3.8-169.8-137.5 144.1 -22.9 87.1 15.7 70 72 A S E +DE 231 169A 26 161,-2.4 161,-3.6 -2,-0.4 2,-0.3 -0.992 17.3 153.1-133.2 139.3 -26.3 85.4 15.9 71 73 A F E -DE 230 168A 1 97,-2.2 97,-3.3 -2,-0.4 2,-0.4 -0.981 31.0-136.0-160.0 163.3 -29.3 85.9 13.7 72 74 A S E +DE 229 167A 13 157,-1.3 156,-3.2 -2,-0.3 157,-1.0 -0.992 27.3 173.5-127.3 133.1 -32.4 84.3 12.4 73 75 A F E -DE 227 166A 1 93,-1.9 93,-2.9 -2,-0.4 2,-0.4 -0.899 19.6-148.4-138.0 168.4 -33.5 84.4 8.8 74 76 A V E -DE 226 165A 21 152,-2.7 152,-2.1 -2,-0.3 2,-0.5 -0.996 2.6-167.5-137.8 138.9 -36.1 83.0 6.4 75 77 A V - 0 0 2 89,-0.6 88,-2.2 -2,-0.4 2,-0.5 -0.949 15.0-175.7-129.5 104.7 -35.9 82.3 2.7 76 78 A K - 0 0 124 -2,-0.5 148,-1.8 86,-0.2 2,-0.4 -0.929 4.8-167.2-109.6 122.5 -39.3 81.7 1.1 77 79 A A B -P 223 0D 3 -2,-0.5 146,-0.2 146,-0.3 5,-0.1 -0.841 20.3-147.8-107.0 140.7 -39.7 80.7 -2.5 78 80 A D S S+ 0 0 105 144,-1.3 -1,-0.1 -2,-0.4 145,-0.1 0.931 92.8 38.5 -68.7 -46.9 -43.1 80.7 -4.3 79 81 A K S S- 0 0 138 143,-0.5 -2,-0.2 2,-0.4 142,-0.0 0.078 108.7 -92.2 -82.4-160.5 -41.9 77.7 -6.4 80 82 A S S S+ 0 0 101 82,-0.0 2,-0.3 2,-0.0 82,-0.1 0.701 109.8 44.8 -89.8 -24.3 -39.8 74.8 -5.1 81 83 A D - 0 0 56 141,-0.0 -2,-0.4 81,-0.0 2,-0.3 -0.792 69.7-178.9-118.0 161.1 -36.5 76.6 -6.1 82 84 A G - 0 0 0 45,-0.3 2,-0.3 -2,-0.3 140,-0.2 -0.960 14.9 -83.2-154.2 171.1 -35.3 80.1 -5.6 83 85 A V - 0 0 3 138,-1.5 140,-0.4 -2,-0.3 2,-0.1 -0.971 60.1 -25.2-142.6 156.0 -32.6 82.7 -6.2 84 86 A D - 0 0 10 -2,-0.3 43,-1.7 132,-0.1 44,-1.5 -0.962 67.1-116.5-114.7 -23.8 -30.1 84.0 -5.4 85 87 A G E -KL 126 215B 0 130,-1.0 130,-1.4 41,-0.3 2,-0.3 -0.773 13.4 -99.0 147.5 173.5 -29.0 83.9 -1.8 86 88 A L E -KL 125 214B 1 39,-1.9 39,-3.5 -2,-0.2 2,-0.3 -0.868 28.7-166.0-124.8 156.8 -28.2 85.8 1.4 87 89 A A E -KL 124 213B 0 126,-2.4 126,-1.9 -2,-0.3 2,-0.5 -0.993 17.6-153.0-152.2 137.9 -24.9 86.9 2.9 88 90 A F E +KL 123 212B 2 35,-2.7 35,-3.3 -2,-0.3 2,-0.3 -0.929 38.3 177.1-102.8 135.9 -23.4 88.1 6.2 89 91 A F E -KL 122 211B 0 122,-3.0 122,-1.7 -2,-0.5 2,-0.5 -0.967 39.0-147.2-148.9 161.4 -20.4 90.2 5.6 90 92 A L E +KL 121 210B 4 31,-3.0 31,-2.0 -2,-0.3 120,-0.2 -0.988 34.2 162.3-122.0 124.4 -17.5 92.4 6.8 91 93 A A E - 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