==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN (AGGLUTININ) 06-MAR-95 1MSA . COMPND 2 MOLECULE: AGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: GALANTHUS NIVALIS; . AUTHOR C.S.WRIGHT,G.HESTER . 436 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 70.2 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 . 182 41.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 59 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.3 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+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 2 14 12 8 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 12 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 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 D 0 0 68 0, 0.0 16,-2.6 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 169.4 74.9 40.5 44.7 2 2 A N + 0 0 11 14,-0.3 86,-3.1 20,-0.0 2,-0.4 0.376 360.0 70.8-111.5 -1.4 73.8 44.1 45.2 3 3 A I E -A 87 0A 3 84,-0.2 2,-0.5 14,-0.0 84,-0.2 -0.962 55.2-165.9-123.0 136.8 70.0 43.4 44.6 4 4 A L E -A 86 0A 5 82,-2.9 82,-3.0 -2,-0.4 2,-0.2 -0.970 22.1-148.0-119.1 109.0 67.4 41.7 46.7 5 5 A Y E > -A 85 0A 19 -2,-0.5 3,-2.5 80,-0.2 51,-0.3 -0.532 28.7 -92.6 -80.0 147.2 64.3 40.9 44.7 6 6 A S T 3 S+ 0 0 19 78,-2.9 51,-0.3 1,-0.3 -1,-0.1 -0.293 118.2 35.7 -54.9 134.8 60.8 40.9 46.2 7 7 A G T 3 S+ 0 0 62 49,-3.4 -1,-0.3 1,-0.4 2,-0.3 0.212 99.0 112.2 100.9 -11.6 60.1 37.3 47.1 8 8 A E < - 0 0 59 -3,-2.5 48,-2.4 48,-0.5 -1,-0.4 -0.645 49.8-156.5-100.1 153.1 63.7 36.7 48.2 9 9 A T E -D 55 0B 61 -2,-0.3 2,-0.6 46,-0.2 46,-0.2 -0.950 11.1-148.2-128.5 144.5 65.3 36.2 51.6 10 10 A L E -D 54 0B 17 44,-2.9 44,-2.9 -2,-0.3 3,-0.1 -0.964 23.3-149.7-110.0 112.6 68.7 36.7 53.1 11 11 A S > - 0 0 58 -2,-0.6 3,-2.4 42,-0.2 14,-0.3 -0.258 43.2 -63.8 -73.8 170.6 69.4 34.1 55.8 12 12 A T T 3 S+ 0 0 31 1,-0.3 14,-0.2 40,-0.3 -1,-0.2 -0.290 128.1 19.6 -56.2 134.7 71.7 34.9 58.8 13 13 A G T 3 S+ 0 0 38 12,-3.7 -1,-0.3 1,-0.3 2,-0.2 0.334 100.0 117.5 86.2 -8.1 75.2 35.6 57.6 14 14 A E < + 0 0 96 -3,-2.4 11,-2.3 11,-0.5 -1,-0.3 -0.589 41.7 173.4 -91.4 153.1 74.0 36.4 54.1 15 15 A F E -G 24 0C 53 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.978 36.6-116.7-153.9 168.8 74.4 39.8 52.6 16 16 A L E -G 23 0C 4 7,-2.5 7,-3.1 -2,-0.3 2,-0.3 -0.852 40.3-170.3-104.2 144.4 74.3 42.3 49.7 17 17 A N E +G 22 0C 27 -16,-2.6 2,-0.2 -2,-0.3 5,-0.2 -0.984 23.9 165.2-142.5 154.0 77.6 43.7 48.6 18 18 A Y E > -G 21 0C 81 3,-2.1 3,-2.5 -2,-0.3 2,-0.1 -0.743 69.1 -45.8-165.7 113.2 79.1 46.4 46.4 19 19 A G T 3 S- 0 0 18 1,-0.3 109,-0.2 -2,-0.2 -1,-0.2 -0.374 125.6 -17.6 61.2-124.7 82.7 47.5 46.6 20 20 A S T 3 S+ 0 0 11 -2,-0.1 16,-3.2 -3,-0.1 2,-0.4 0.307 117.2 102.8 -93.9 6.1 83.6 48.1 50.3 21 21 A F E < -GH 18 35C 22 -3,-2.5 -3,-2.1 14,-0.2 2,-0.4 -0.787 46.6-179.5 -94.9 132.0 79.9 48.2 51.2 22 22 A V E -GH 17 34C 3 12,-2.1 12,-3.0 -2,-0.4 2,-0.7 -0.997 14.3-165.4-133.0 125.7 78.3 45.2 52.9 23 23 A F E -GH 16 33C 0 -7,-3.1 -7,-2.5 -2,-0.4 2,-0.4 -0.928 28.4-178.2-109.9 99.4 74.6 45.0 53.9 24 24 A I E -GH 15 32C 15 8,-2.4 8,-1.9 -2,-0.7 2,-1.1 -0.862 37.0-145.0-116.7 140.8 74.5 41.9 56.2 25 25 A M E - H 0 31C 0 -11,-2.3 -12,-3.7 -2,-0.4 -11,-0.5 -0.799 39.8-154.0 -92.5 90.3 71.9 40.0 58.2 26 26 A Q > - 0 0 31 4,-2.0 3,-1.2 -2,-1.1 26,-0.4 -0.119 24.0-112.1 -66.2 166.7 74.0 39.1 61.2 27 27 A E T 3 S+ 0 0 77 1,-0.3 24,-1.5 2,-0.1 25,-0.2 0.735 114.7 60.8 -71.8 -22.6 73.6 36.1 63.5 28 28 A D T 3 S- 0 0 42 22,-0.2 19,-2.7 2,-0.2 21,-0.5 0.293 120.1-106.3 -87.5 7.2 72.7 38.4 66.4 29 29 A a S < S+ 0 0 0 -3,-1.2 2,-0.5 1,-0.3 16,-0.2 0.553 79.1 131.7 78.0 13.4 69.7 39.7 64.5 30 30 A N - 0 0 26 14,-0.1 -4,-2.0 15,-0.1 2,-0.8 -0.816 48.3-150.1 -95.8 129.2 71.2 43.1 63.8 31 31 A L E -H 25 0C 0 -2,-0.5 12,-1.4 -6,-0.2 2,-0.4 -0.919 28.2-176.9-100.4 104.2 70.9 44.2 60.1 32 32 A V E -HI 24 42C 3 -8,-1.9 -8,-2.4 -2,-0.8 2,-0.6 -0.870 28.2-149.6-113.5 145.0 74.0 46.3 59.6 33 33 A L E -HI 23 41C 0 8,-3.2 7,-3.7 -2,-0.4 8,-1.4 -0.942 26.0-169.3-107.0 113.4 75.4 48.4 56.7 34 34 A Y E -HI 22 39C 15 -12,-3.0 -12,-2.1 -2,-0.6 2,-0.6 -0.853 24.1-157.7-107.5 144.1 79.2 48.5 56.8 35 35 A D E > S-HI 21 38C 43 3,-3.0 3,-1.8 -2,-0.4 2,-0.5 -0.937 81.3 -50.9-114.8 95.8 81.6 50.6 54.8 36 36 A V T 3 S- 0 0 16 -16,-3.2 -14,-0.1 -2,-0.6 -2,-0.0 -0.589 125.5 -20.1 69.4-115.1 84.7 48.4 55.2 37 37 A D T 3 S+ 0 0 72 -2,-0.5 -1,-0.3 110,-0.1 110,-0.1 0.347 120.1 97.9-101.9 5.0 84.9 47.7 59.0 38 38 A K E < S-I 35 0C 133 -3,-1.8 -3,-3.0 2,-0.0 2,-0.4 -0.846 70.7-134.9-103.8 119.9 82.7 50.7 59.9 39 39 A P E +I 34 0C 74 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.512 24.7 175.9 -69.9 118.7 79.0 50.4 60.6 40 40 A I E + 0 0 38 -7,-3.7 2,-0.3 -2,-0.4 -6,-0.2 0.694 67.2 1.5 -96.0 -26.7 77.2 53.2 58.7 41 41 A W E +I 33 0C 54 -8,-1.4 -8,-3.2 395,-0.0 -1,-0.4 -0.981 61.9 178.9-160.0 150.4 73.6 52.1 59.6 42 42 A A E -I 32 0C 22 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.985 36.3-132.2-153.3 154.7 71.9 49.4 61.6 43 43 A T - 0 0 15 -12,-1.4 -11,-0.1 -2,-0.3 31,-0.1 0.650 46.1-134.0 -79.7 -16.6 68.3 48.4 62.6 44 44 A N + 0 0 131 -13,-0.2 -14,-0.1 1,-0.1 -12,-0.1 0.818 66.9 127.0 67.2 37.9 69.6 48.1 66.1 45 45 A T > + 0 0 9 -16,-0.2 3,-1.9 -14,-0.1 4,-0.3 0.126 28.0 146.4-107.5 19.0 68.0 44.7 66.8 46 46 A G T 3 S+ 0 0 36 1,-0.3 -17,-0.2 2,-0.1 4,-0.1 -0.350 70.6 12.6 -61.0 128.8 71.2 43.0 68.0 47 47 A G T 3 S+ 0 0 64 -19,-2.7 -1,-0.3 2,-0.4 -18,-0.1 0.335 90.7 111.8 87.3 -3.8 70.6 40.5 70.7 48 48 A L S < S- 0 0 107 -3,-1.9 2,-0.3 -20,-0.5 -2,-0.1 0.591 95.1 -35.1 -76.0 -11.1 66.8 40.4 70.3 49 49 A S - 0 0 36 -21,-0.5 -2,-0.4 -4,-0.3 2,-0.3 -0.943 67.1 -99.7-178.7-161.6 67.1 36.9 69.0 50 50 A R S S+ 0 0 146 -2,-0.3 -22,-0.2 1,-0.1 -23,-0.1 -0.982 85.9 18.0-146.0 150.5 69.3 34.6 66.9 51 51 A S S S+ 0 0 54 -24,-1.5 -39,-0.2 -2,-0.3 -24,-0.1 0.846 77.1 174.2 56.5 43.9 69.4 33.3 63.3 52 52 A a - 0 0 0 -26,-0.4 2,-0.3 -25,-0.2 -40,-0.3 -0.227 18.3-143.4 -73.4 166.2 67.0 35.9 62.0 53 53 A F E - E 0 65B 46 12,-2.3 12,-3.0 -42,-0.2 2,-0.5 -0.952 5.4-133.3-133.4 150.8 66.3 36.3 58.3 54 54 A L E -DE 10 64B 0 -44,-2.9 -44,-2.9 -2,-0.3 2,-0.5 -0.923 22.3-166.4-106.7 127.6 65.7 39.3 56.0 55 55 A S E -DE 9 63B 18 8,-3.2 8,-2.7 -2,-0.5 2,-0.9 -0.950 17.8-159.9-122.7 123.4 62.7 39.3 53.7 56 56 A M E - E 0 62B 0 -48,-2.4 -49,-3.4 -2,-0.5 -48,-0.5 -0.878 33.5-154.1 -94.4 102.7 62.0 41.6 50.7 57 57 A Q > - 0 0 42 4,-2.7 3,-1.3 -2,-0.9 27,-0.1 -0.332 25.9-120.7 -82.4 165.2 58.2 41.0 50.3 58 58 A T T 3 S+ 0 0 60 1,-0.3 24,-3.3 2,-0.1 -1,-0.1 0.623 111.9 63.4 -77.6 -10.1 55.9 41.3 47.4 59 59 A D T 3 S- 0 0 40 22,-0.3 20,-3.3 2,-0.2 -1,-0.3 0.304 122.1-104.7 -93.7 5.7 53.9 43.9 49.3 60 60 A G S < S+ 0 0 0 -3,-1.3 2,-0.4 1,-0.3 -2,-0.1 0.394 79.0 132.8 88.1 -1.5 56.9 46.2 49.3 61 61 A N - 0 0 27 18,-0.1 -4,-2.7 15,-0.1 2,-0.7 -0.681 46.3-152.2 -88.0 132.6 57.8 45.6 53.0 62 62 A L E -E 56 0B 0 -2,-0.4 13,-2.1 -6,-0.2 2,-0.4 -0.920 28.3-177.0-102.4 110.5 61.4 44.8 54.0 63 63 A V E -EF 55 74B 2 -8,-2.7 -8,-3.2 -2,-0.7 2,-0.6 -0.943 29.7-148.8-121.8 141.4 61.1 42.7 57.1 64 64 A V E -EF 54 73B 0 9,-2.7 8,-3.1 -2,-0.4 9,-1.1 -0.887 28.5-168.9 -99.6 115.9 63.6 41.1 59.6 65 65 A Y E -EF 53 71B 42 -12,-3.0 -12,-2.3 -2,-0.6 -36,-0.0 -0.813 14.8-135.8-107.5 152.9 62.0 37.9 61.0 66 66 A N > - 0 0 17 4,-2.0 3,-2.7 -2,-0.3 -15,-0.1 -0.491 42.3 -91.0 -94.5 172.3 63.1 35.6 63.9 67 67 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -16,-0.1 0.775 128.4 54.5 -53.3 -30.9 63.2 31.8 63.7 68 68 A S T 3 S- 0 0 105 2,-0.1 -3,-0.0 1,-0.0 0, 0.0 0.361 121.0-108.2 -85.2 2.2 59.6 31.6 64.9 69 69 A N S < S+ 0 0 106 -3,-2.7 -17,-0.0 1,-0.3 -1,-0.0 0.674 70.7 143.9 77.8 23.0 58.5 34.0 62.2 70 70 A K - 0 0 137 -4,-0.1 -4,-2.0 1,-0.0 -1,-0.3 -0.801 54.6-116.4 -94.9 129.6 57.8 37.0 64.4 71 71 A P E +F 65 0B 76 0, 0.0 -6,-0.2 0, 0.0 3,-0.1 -0.440 33.8 174.9 -64.9 134.4 58.7 40.3 62.9 72 72 A I E - 0 0 35 -8,-3.1 2,-0.3 1,-0.5 -7,-0.2 0.502 69.8 -1.3-116.5 -13.9 61.5 42.1 64.8 73 73 A W E +F 64 0B 55 -9,-1.1 -9,-2.7 -28,-0.0 -1,-0.5 -0.955 61.9 179.6-171.2 151.0 61.9 45.0 62.4 74 74 A A E -F 63 0B 15 -2,-0.3 -11,-0.2 -11,-0.2 -13,-0.0 -0.980 38.2-125.9-157.3 153.7 60.4 46.3 59.1 75 75 A S - 0 0 12 -13,-2.1 -12,-0.1 -2,-0.3 358,-0.1 0.751 45.8-134.5 -71.2 -21.6 60.8 49.3 56.8 76 76 A N + 0 0 138 -14,-0.3 -15,-0.1 1,-0.1 -13,-0.1 0.900 69.2 123.6 68.0 42.4 57.0 49.7 57.3 77 77 A T + 0 0 33 -17,-0.1 -1,-0.1 -15,-0.1 2,-0.1 -0.006 27.3 146.8-119.4 23.2 56.5 50.2 53.5 78 78 A G + 0 0 42 -18,-0.1 -18,-0.2 1,-0.1 2,-0.2 -0.410 23.0 117.1 -61.5 136.1 54.0 47.4 53.0 79 79 A G + 0 0 51 -20,-3.3 2,-0.1 1,-0.2 -18,-0.1 -0.582 54.7 17.7-161.8-129.8 51.5 48.4 50.3 80 80 A Q S S- 0 0 122 -2,-0.2 2,-0.2 1,-0.1 -1,-0.2 -0.397 74.3-114.6 -66.6 132.5 50.4 47.3 46.9 81 81 A N + 0 0 114 -2,-0.1 -22,-0.3 -22,-0.1 2,-0.3 -0.513 68.1 103.8 -67.6 129.1 51.4 43.7 45.9 82 82 A G S S- 0 0 20 -24,-3.3 2,-0.5 -2,-0.2 -22,-0.2 -0.879 73.3 -47.4-173.0-155.2 53.9 43.8 43.1 83 83 A N + 0 0 83 -2,-0.3 16,-0.5 17,-0.1 17,-0.3 -0.926 56.4 169.3-108.4 120.4 57.5 43.5 42.1 84 84 A Y E - 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