==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 22-OCT-99 1QNW . 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) . 32984.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 638 67.7 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 . 389 41.3 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 . 106 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 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 11 5 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 52 0, 0.0 244,-0.1 0, 0.0 242,-0.0 0.000 360.0 360.0 360.0-118.4 81.9 1.3 76.6 2 4 A D - 0 0 43 1,-0.1 232,-0.2 232,-0.1 3,-0.1 0.117 360.0-125.0 -35.5 136.4 81.0 5.1 76.3 3 5 A D S S- 0 0 40 1,-0.2 240,-2.1 230,-0.2 2,-0.3 0.896 85.5 -0.5 -52.0 -51.0 81.7 7.3 79.3 4 6 A L E +AB 233 242A 11 229,-1.8 229,-1.9 238,-0.2 2,-0.3 -1.000 56.7 167.6-149.0 148.2 78.1 8.6 79.5 5 7 A S E +AB 232 241A 22 236,-1.7 236,-1.6 -2,-0.3 2,-0.3 -0.878 9.9 168.6-161.9 117.4 74.8 8.3 77.8 6 8 A F E -AB 231 240A 1 225,-2.4 225,-2.4 -2,-0.3 2,-0.3 -0.950 11.1-165.0-132.8 156.0 71.4 9.6 78.9 7 9 A N E -A 230 0A 17 232,-2.4 2,-0.6 -2,-0.3 223,-0.2 -0.961 9.1-171.3-148.1 126.1 68.0 10.0 77.3 8 10 A F E +A 229 0A 18 221,-3.1 221,-2.4 -2,-0.3 3,-0.1 -0.949 5.3 177.9-116.2 105.2 64.8 11.8 78.2 9 11 A D S S- 0 0 123 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.735 82.1 -6.0 -74.6 -21.9 61.9 11.0 75.9 10 12 A K S S- 0 0 98 -3,-0.1 2,-0.3 219,-0.1 -1,-0.2 -0.946 77.2-116.8-161.9 164.3 59.8 13.3 78.1 11 13 A F - 0 0 2 19,-2.2 -3,-0.0 -2,-0.3 216,-0.0 -0.763 18.5-144.1-111.0 160.0 60.4 15.2 81.3 12 14 A V > - 0 0 12 -2,-0.3 3,-0.6 17,-0.0 16,-0.1 -0.971 34.2 -91.6-125.3 140.8 58.6 14.9 84.7 13 15 A P T 3 S+ 0 0 60 0, 0.0 14,-0.1 0, 0.0 19,-0.0 -0.243 111.8 7.2 -51.8 128.2 57.6 17.7 87.2 14 16 A N T 3 S- 0 0 133 1,-0.2 2,-0.5 12,-0.2 11,-0.0 0.962 85.5-164.6 59.5 55.0 60.5 18.2 89.7 15 17 A Q X - 0 0 9 -3,-0.6 3,-1.2 1,-0.1 -1,-0.2 -0.616 11.3-149.1 -71.3 120.7 62.9 15.8 87.9 16 18 A K T 3 S+ 0 0 105 -2,-0.5 -1,-0.1 1,-0.2 274,-0.1 0.668 91.2 58.6 -69.0 -20.8 65.6 15.0 90.4 17 19 A N T 3 S+ 0 0 17 271,-0.2 33,-2.6 32,-0.1 2,-0.4 0.224 96.4 74.5 -94.4 15.0 68.4 14.6 87.8 18 20 A I E < S-P 49 0B 10 -3,-1.2 2,-0.6 31,-0.3 31,-0.2 -0.993 73.1-143.3-126.5 131.0 67.9 18.1 86.4 19 21 A I E -P 48 0B 53 29,-3.4 29,-2.3 -2,-0.4 2,-0.5 -0.879 18.3-152.5 -96.0 116.8 69.1 21.2 88.2 20 22 A F E -P 47 0B 62 -2,-0.6 2,-0.4 27,-0.2 27,-0.2 -0.793 15.5-179.7 -94.4 129.2 66.6 24.1 87.7 21 23 A Q E > -P 46 0B 15 25,-3.1 25,-2.5 -2,-0.5 3,-1.3 -0.964 54.7 -12.7-126.7 143.9 67.9 27.6 87.9 22 24 A G E 3 S-P 45 0B 55 -2,-0.4 23,-0.3 23,-0.2 13,-0.1 -0.452 127.3 -21.7 70.6-134.1 65.9 30.8 87.5 23 25 A D T 3 S+ 0 0 58 21,-2.4 -1,-0.2 11,-0.2 22,-0.2 0.357 97.7 128.8 -93.2 3.6 62.3 30.3 86.1 24 26 A A < + 0 0 8 -3,-1.3 2,-0.3 22,-0.2 10,-0.2 -0.308 25.8 136.9 -63.8 142.8 63.0 26.9 84.5 25 27 A S E -C 33 0A 51 8,-1.5 8,-2.6 10,-0.1 2,-0.5 -0.961 49.5-104.6-170.6 171.8 60.7 24.1 85.3 26 28 A V E -C 32 0A 15 -2,-0.3 6,-0.2 6,-0.2 -12,-0.2 -0.958 32.4-135.2-117.9 128.8 58.8 21.2 83.7 27 29 A S > - 0 0 19 4,-2.2 3,-1.5 -2,-0.5 -16,-0.1 -0.194 28.9-102.7 -72.3 171.7 55.0 21.4 83.2 28 30 A T T 3 S+ 0 0 138 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.671 120.8 64.4 -70.3 -17.6 52.4 18.7 83.9 29 31 A T T 3 S- 0 0 109 2,-0.1 -1,-0.3 -17,-0.1 -18,-0.1 0.413 121.1-108.1 -84.4 0.8 52.3 17.8 80.2 30 32 A G S < S+ 0 0 5 -3,-1.5 -19,-2.2 1,-0.3 2,-0.4 0.693 73.5 132.1 83.9 21.7 56.0 16.8 80.5 31 33 A V - 0 0 24 -21,-0.1 -4,-2.2 197,-0.0 2,-0.8 -0.835 58.0-122.9-110.2 144.2 57.8 19.6 78.7 32 34 A L E -CD 26 226A 2 194,-2.4 194,-2.6 -2,-0.4 2,-1.0 -0.764 22.9-166.4 -83.6 107.6 60.8 21.5 79.9 33 35 A Q E +CD 25 225A 32 -8,-2.6 -8,-1.5 -2,-0.8 192,-0.2 -0.824 9.0 179.8 -94.8 94.9 59.8 25.2 80.0 34 36 A V S S+ 0 0 0 190,-1.8 2,-0.3 -2,-1.0 179,-0.3 0.763 74.7 49.7 -68.8 -18.6 63.2 26.9 80.3 35 37 A T S S- 0 0 0 189,-0.5 189,-0.3 -3,-0.1 2,-0.2 -0.887 103.2-100.1-118.1 143.8 61.3 30.2 80.2 36 38 A K - 0 0 80 -2,-0.3 2,-0.5 187,-0.1 5,-0.3 -0.470 31.5-158.4 -70.3 129.8 58.2 30.9 82.4 37 39 A V 0 0 46 -2,-0.2 186,-0.0 1,-0.1 -4,-0.0 -0.949 360.0 360.0-111.8 120.1 54.9 30.5 80.7 38 40 A S 0 0 101 -2,-0.5 -1,-0.1 3,-0.1 -2,-0.0 0.247 360.0 360.0-169.2 360.0 51.9 32.4 82.2 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 92 0, 0.0 2,-0.3 0, 0.0 178,-0.1 0.000 360.0 360.0 360.0 159.3 53.1 37.0 81.3 41 44 A T - 0 0 54 -5,-0.3 176,-0.1 176,-0.1 -3,-0.1 -0.977 360.0 -69.7-165.6 167.3 56.4 38.5 82.5 42 45 A T - 0 0 76 -2,-0.3 2,-0.3 174,-0.1 174,-0.2 -0.378 58.3-175.9 -62.5 147.3 60.2 38.9 81.9 43 46 A S E - Q 0 215B 3 172,-2.3 172,-2.7 -2,-0.0 2,-0.3 -1.000 28.4-177.5-156.1 149.9 62.1 35.6 82.5 44 47 A I E + Q 0 214B 38 -2,-0.3 -21,-2.4 170,-0.2 2,-0.3 -0.974 21.6 163.5-144.6 130.3 65.4 33.9 82.6 45 48 A G E -PQ 22 213B 0 168,-1.9 168,-1.8 -2,-0.3 2,-0.3 -0.997 17.4-170.0-151.7 153.7 66.0 30.2 83.2 46 49 A R E -PQ 21 212B 0 -25,-2.5 -25,-3.1 -2,-0.3 2,-0.4 -0.992 4.4-164.5-142.5 146.6 68.5 27.4 83.0 47 50 A A E -PQ 20 211B 2 164,-2.7 164,-2.4 -2,-0.3 2,-0.3 -0.987 13.1-175.6-135.5 120.3 68.3 23.6 83.3 48 51 A L E -PQ 19 210B 1 -29,-2.3 -29,-3.4 -2,-0.4 2,-0.3 -0.863 34.4-105.9-116.5 152.5 71.4 21.5 83.8 49 52 A Y E -P 18 0B 2 160,-2.3 -31,-0.3 -2,-0.3 160,-0.2 -0.619 38.7-122.8 -73.3 134.2 71.9 17.7 84.0 50 53 A A S S+ 0 0 13 -33,-2.6 -32,-0.1 -2,-0.3 -1,-0.1 0.688 89.1 64.5 -54.8 -27.2 72.6 17.0 87.7 51 54 A A S S- 0 0 0 -34,-0.3 158,-0.3 238,-0.1 202,-0.1 -0.857 82.8-123.0-107.3 134.6 76.0 15.3 87.2 52 55 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 156,-0.2 -0.271 24.1-140.1 -65.4 159.8 79.1 17.0 85.8 53 56 A I E -R 207 0B 6 154,-3.0 154,-2.7 199,-0.0 2,-0.9 -0.957 11.8-124.6-125.6 138.6 80.8 15.6 82.7 54 57 A Q E +R 206 0B 34 -2,-0.4 152,-0.2 152,-0.2 151,-0.1 -0.773 29.1 177.3 -85.7 108.6 84.6 15.2 82.1 55 58 A I + 0 0 0 150,-2.5 9,-3.0 -2,-0.9 2,-0.3 0.706 67.1 4.4 -85.6 -21.3 85.1 17.0 78.8 56 59 A W B -W 63 0C 43 149,-1.0 2,-0.5 7,-0.3 -1,-0.2 -0.981 66.8-129.6-160.2 153.5 88.8 16.5 78.7 57 60 A D > - 0 0 16 5,-2.7 4,-1.6 -2,-0.3 143,-0.0 -0.950 4.7-162.9-112.0 126.6 91.6 14.9 80.8 58 61 A S T 4 S+ 0 0 69 -2,-0.5 -1,-0.1 2,-0.2 5,-0.0 0.691 90.3 57.3 -78.5 -20.4 94.7 16.8 81.8 59 62 A I T 4 S+ 0 0 117 1,-0.1 -1,-0.1 3,-0.1 -2,-0.0 0.983 123.4 19.0 -72.0 -61.3 96.5 13.5 82.6 60 63 A T T 4 S- 0 0 80 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.689 96.8-129.2 -83.8 -20.8 96.3 11.9 79.2 61 64 A G < + 0 0 25 -4,-1.6 -3,-0.1 1,-0.3 139,-0.1 0.359 56.5 149.3 86.1 -6.5 95.5 15.1 77.3 62 65 A K - 0 0 118 -6,-0.1 -5,-2.7 173,-0.1 2,-0.3 -0.243 34.3-151.9 -61.1 147.3 92.5 13.4 75.6 63 66 A V B -W 56 0C 31 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.3 -0.915 18.4-116.2-120.3 146.9 89.5 15.5 74.7 64 67 A A - 0 0 0 -9,-3.0 2,-0.4 -2,-0.3 171,-0.2 -0.607 13.2-147.0 -89.7 144.0 85.9 14.1 74.5 65 68 A S E -E 234 0A 42 169,-2.3 169,-2.2 -2,-0.3 2,-0.3 -0.812 26.6-177.3 -99.2 144.4 83.7 13.8 71.5 66 69 A F E -EF 233 171A 11 105,-1.5 105,-2.8 -2,-0.4 2,-0.4 -0.991 19.3-163.8-145.8 155.8 80.0 14.3 72.2 67 70 A A E -EF 232 170A 36 165,-2.2 165,-2.2 -2,-0.3 2,-0.3 -0.995 11.1-179.6-138.1 141.0 76.6 14.2 70.4 68 71 A T E -EF 231 169A 1 101,-2.5 101,-2.9 -2,-0.4 2,-0.4 -0.992 6.5-168.8-142.4 148.7 73.3 15.5 71.6 69 72 A S E +EF 230 168A 29 161,-2.3 161,-3.2 -2,-0.3 2,-0.3 -1.000 14.7 157.8-139.9 137.3 69.8 15.6 70.2 70 73 A F E -EF 229 167A 2 97,-2.0 97,-3.0 -2,-0.4 2,-0.4 -0.987 28.4-138.4-155.6 157.5 66.7 17.5 71.3 71 74 A S E +EF 228 166A 16 157,-1.1 156,-2.7 -2,-0.3 157,-1.0 -0.956 28.2 174.8-119.8 138.3 63.4 18.8 70.0 72 75 A F E -EF 226 165A 2 93,-2.0 93,-2.7 -2,-0.4 2,-0.4 -0.949 20.6-148.8-143.6 162.0 62.1 22.2 70.9 73 76 A V E -E 225 0A 20 152,-2.6 152,-2.3 -2,-0.3 2,-0.5 -0.994 2.5-168.1-133.8 136.6 59.3 24.7 70.3 74 77 A V - 0 0 2 89,-0.5 88,-2.1 86,-0.4 2,-0.6 -0.958 15.3-177.2-125.3 102.3 59.3 28.5 70.3 75 78 A K - 0 0 131 -2,-0.5 148,-1.6 86,-0.2 2,-0.3 -0.937 5.7-164.4-108.2 114.5 55.7 29.7 70.2 76 79 A A B -X 222 0D 7 -2,-0.6 146,-0.2 146,-0.3 5,-0.1 -0.709 19.4-141.4 -96.1 147.7 55.2 33.5 70.0 77 80 A D S S+ 0 0 118 144,-1.8 -1,-0.1 -2,-0.3 145,-0.1 0.939 92.6 30.1 -70.0 -51.0 51.9 35.2 70.8 78 81 A K S S- 0 0 109 2,-0.6 -2,-0.1 143,-0.4 142,-0.0 0.024 115.9 -79.3 -87.9-158.7 52.3 37.8 68.0 79 82 A S S S+ 0 0 98 1,-0.1 2,-0.3 -2,-0.0 82,-0.1 0.612 115.9 38.8 -82.6 -7.1 54.2 37.1 64.8 80 83 A D + 0 0 70 141,-0.1 -2,-0.6 -5,-0.1 2,-0.3 -0.976 63.5 176.1-142.5 154.1 57.4 37.7 66.8 81 84 A G - 0 0 1 -2,-0.3 2,-0.3 45,-0.2 140,-0.2 -0.902 20.9 -86.2-149.0 174.0 58.9 37.0 70.2 82 85 A V - 0 0 2 138,-1.8 140,-0.3 -2,-0.3 2,-0.1 -0.915 62.1 -10.4-138.1 159.5 62.1 37.3 72.3 83 86 A D - 0 0 9 -2,-0.3 44,-1.2 132,-0.2 43,-1.2 -0.953 66.4-126.7-113.9 -23.8 64.7 36.4 73.3 84 87 A G E -ST 125 214B 0 130,-1.1 130,-1.5 41,-0.2 2,-0.3 -0.802 12.8 -94.4 143.7-179.5 65.8 32.9 72.4 85 88 A L E -ST 124 213B 1 39,-2.0 39,-3.4 -2,-0.2 2,-0.3 -0.924 28.4-166.2-133.9 153.7 67.1 29.5 73.7 86 89 A A E -ST 123 212B 0 126,-2.7 126,-2.3 -2,-0.3 2,-0.5 -0.997 17.6-147.6-147.7 145.6 70.6 28.1 74.0 87 90 A F E +ST 122 211B 2 35,-2.6 35,-2.9 -2,-0.3 2,-0.3 -0.949 39.8 175.7-105.3 132.9 72.3 24.7 74.6 88 91 A F E -ST 121 210B 0 122,-2.6 122,-1.6 -2,-0.5 2,-0.4 -0.945 38.8-146.1-146.0 166.6 75.5 25.1 76.6 89 92 A L E +ST 120 209B 5 31,-2.7 31,-2.0 -2,-0.3 120,-0.2 -0.993 34.1 161.1-126.1 126.1 78.6 23.8 78.4 90 93 A A E - 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