==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 31-OCT-04 1WS4 . COMPND 2 MOLECULE: AGGLUTININ ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTOCARPUS INTEGER; . AUTHOR A.A.JEYAPRAKASH,G.JAYASHREE,S.K.MAHANTA,K.SEKAR,A.SUROLIA, . 598 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24667.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 444 74.2 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 . 308 51.5 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 83 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 4 4 0 12 4 8 4 4 0 4 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 4 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 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 G 0 0 70 0, 0.0 2,-0.6 0, 0.0 120,-0.3 0.000 360.0 360.0 360.0-170.9 50.0 59.5 64.1 2 2 A K E -A 120 0A 147 118,-2.5 118,-2.0 1,-0.0 2,-0.0 -0.775 360.0-135.1 -90.1 119.4 49.3 61.2 60.8 3 3 A A E -A 119 0A 68 -2,-0.6 2,-0.3 116,-0.2 116,-0.3 -0.339 23.4-175.0 -71.9 151.8 47.6 64.6 61.2 4 4 A F E -A 118 0A 18 114,-2.6 114,-2.5 -2,-0.0 2,-0.3 -0.960 13.8-170.3-142.9 157.5 44.6 65.6 59.0 5 5 A D E -A 117 0A 85 -2,-0.3 112,-0.2 112,-0.2 -2,-0.0 -0.791 4.8-176.6-153.5 102.5 42.6 68.7 58.7 6 6 A D - 0 0 20 110,-2.3 2,-0.2 -2,-0.3 111,-0.2 0.797 36.2-145.8 -71.5 -29.5 39.4 68.6 56.6 7 7 A G - 0 0 3 109,-0.6 109,-0.4 331,-0.0 2,-0.4 -0.484 33.0 -40.1 94.0-168.0 38.7 72.3 57.0 8 8 A A + 0 0 14 -2,-0.2 107,-0.2 107,-0.1 2,-0.2 -0.799 57.2 169.0-104.6 142.2 35.4 74.1 57.3 9 9 A F - 0 0 17 105,-2.7 25,-0.2 -2,-0.4 3,-0.1 -0.531 47.0 -91.7-130.1-164.3 32.2 73.3 55.3 10 10 A T S S- 0 0 12 23,-2.4 431,-2.6 1,-0.3 2,-0.3 0.698 89.0 -49.1 -89.2 -23.8 28.5 74.1 55.2 11 11 A G E -E 33 0B 2 22,-1.0 22,-2.2 103,-0.2 2,-0.4 -0.973 61.6 -77.6 174.0-171.5 27.3 71.2 57.3 12 12 A I E +E 32 0B 14 427,-0.3 20,-0.2 -2,-0.3 3,-0.1 -0.967 32.0 167.3-121.8 131.5 27.5 67.5 57.9 13 13 A R E - 0 0 62 18,-2.5 45,-2.4 -2,-0.4 2,-0.3 0.772 69.0 -0.6-106.6 -40.2 25.7 64.8 55.8 14 14 A E E -EF 31 57B 40 17,-2.0 17,-3.1 43,-0.2 2,-0.4 -0.997 51.6-154.2-155.2 147.3 27.3 61.5 56.9 15 15 A I E -EF 30 56B 1 41,-2.4 41,-3.0 -2,-0.3 2,-0.5 -0.992 9.4-169.7-126.2 126.6 30.0 60.2 59.1 16 16 A N E +EF 29 55B 32 13,-3.4 13,-2.2 -2,-0.4 2,-0.3 -0.969 22.0 152.0-118.1 116.9 31.9 57.0 58.4 17 17 A L E -EF 28 54B 6 37,-1.8 37,-2.5 -2,-0.5 2,-0.3 -0.872 29.4-144.9-137.3 169.5 34.1 55.6 61.2 18 18 A S E + F 0 53B 4 9,-1.8 8,-3.0 -2,-0.3 2,-0.3 -0.953 19.4 174.6-134.7 154.5 35.4 52.3 62.5 19 19 A Y E -EF 25 52B 38 33,-1.5 33,-3.3 -2,-0.3 2,-0.5 -0.971 27.3-135.9-154.1 165.4 36.1 51.1 66.0 20 20 A N > - 0 0 50 4,-1.5 3,-1.8 -2,-0.3 78,-0.3 -0.992 18.3-142.4-129.2 119.1 37.2 48.1 68.0 21 21 A K T 3 S+ 0 0 108 -2,-0.5 78,-0.1 1,-0.3 -1,-0.1 0.709 101.0 46.1 -55.1 -23.2 35.2 47.6 71.2 22 22 A E T 3 S+ 0 0 152 2,-0.1 -1,-0.3 76,-0.1 60,-0.0 0.479 127.2 16.4-101.7 -1.8 38.3 46.5 73.1 23 23 A T S < S- 0 0 38 -3,-1.8 75,-0.3 1,-0.2 2,-0.3 0.412 100.6 -76.7-128.3 -88.7 40.7 49.2 72.0 24 24 A A - 0 0 0 73,-0.1 -4,-1.5 51,-0.0 58,-0.2 -0.916 54.7 -46.6-164.7-171.5 39.6 52.5 70.4 25 25 A I E +E 19 0B 0 56,-1.9 99,-2.3 -2,-0.3 -6,-0.3 -0.522 49.0 174.2 -75.1 139.4 38.4 54.4 67.4 26 26 A G E + 0 0 0 -8,-3.0 -1,-0.1 1,-0.3 -7,-0.1 0.631 49.2 27.8-109.1 -96.5 40.2 53.7 64.1 27 27 A D E - 0 0 41 18,-0.1 -9,-1.8 19,-0.1 2,-0.3 -0.331 59.0-171.2 -73.3 153.5 39.1 55.1 60.7 28 28 A F E +EG 17 44B 6 16,-2.4 16,-2.3 -11,-0.2 2,-0.3 -0.956 12.7 157.9-150.1 125.9 37.3 58.4 60.3 29 29 A Q E -E 16 0B 18 -13,-2.2 -13,-3.4 -2,-0.3 2,-0.4 -0.993 17.7-158.0-149.9 142.1 35.7 60.0 57.2 30 30 A V E -E 15 0B 0 12,-0.4 11,-2.3 -2,-0.3 2,-0.8 -0.971 13.9-150.7-128.9 137.7 33.1 62.6 56.7 31 31 A V E -EH 14 40B 22 -17,-3.1 -18,-2.5 -2,-0.4 -17,-2.0 -0.927 32.8-166.8-102.0 109.8 30.7 63.5 53.9 32 32 A Y E -EH 12 39B 0 7,-2.6 7,-2.7 -2,-0.8 2,-0.5 -0.425 22.0-116.5 -92.2 169.7 30.2 67.2 54.3 33 33 A D E -EH 11 38B 1 -22,-2.2 -23,-2.4 5,-0.2 -22,-1.0 -0.907 24.6-167.1-103.8 136.5 27.6 69.5 52.7 34 34 A L E > S- H 0 37B 10 3,-3.2 3,-1.0 -2,-0.5 277,-0.0 -0.840 71.5 -41.7-127.1 91.5 29.2 72.2 50.6 35 35 A N T 3 S- 0 0 49 -2,-0.5 272,-0.1 1,-0.2 405,-0.0 0.906 125.1 -36.1 55.6 48.7 26.6 74.8 49.8 36 36 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.2 273,-0.0 273,-0.0 0.333 123.7 91.6 91.2 -7.5 23.8 72.3 49.2 37 37 A S E < S-H 34 0B 69 -3,-1.0 -3,-3.2 2,-0.0 -1,-0.2 -0.941 80.2-104.1-123.5 145.4 25.9 69.6 47.5 38 38 A P E -H 33 0B 86 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.341 29.8-166.4 -64.9 142.0 27.7 66.6 49.1 39 39 A Y E -H 32 0B 89 -7,-2.7 -7,-2.6 -2,-0.0 2,-0.7 -0.941 14.7-140.9-133.6 110.4 31.4 66.8 49.4 40 40 A V E -H 31 0B 103 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.597 19.2-146.4 -76.6 111.8 33.3 63.6 50.2 41 41 A G - 0 0 5 -11,-2.3 -35,-0.0 -2,-0.7 -1,-0.0 -0.311 31.8 -82.4 -73.7 160.7 36.0 64.2 52.6 42 42 A Q - 0 0 127 1,-0.1 2,-0.7 -13,-0.1 -12,-0.4 -0.307 44.7-114.2 -61.6 142.0 39.3 62.3 52.6 43 43 A N - 0 0 91 -14,-0.1 2,-1.0 -3,-0.1 -14,-0.2 -0.725 25.3-154.6 -82.6 114.5 39.2 58.9 54.3 44 44 A H B -G 28 0B 12 -16,-2.3 -16,-2.4 -2,-0.7 2,-0.3 -0.793 21.8-163.9 -94.3 100.8 41.5 59.1 57.3 45 45 A V - 0 0 79 -2,-1.0 75,-0.1 -18,-0.2 -18,-0.1 -0.617 19.0-117.4 -95.4 146.0 42.6 55.5 57.8 46 46 A S - 0 0 10 -2,-0.3 76,-0.2 2,-0.2 77,-0.1 -0.322 27.2-120.8 -68.2 155.9 44.2 53.7 60.8 47 47 A F S S+ 0 0 126 74,-2.4 2,-0.2 76,-0.1 75,-0.2 0.711 96.7 42.8 -71.9 -20.3 47.6 52.2 60.1 48 48 A I S S- 0 0 55 73,-0.3 -2,-0.2 74,-0.3 2,-0.2 -0.624 76.1-136.0-118.1 178.7 46.1 48.8 61.1 49 49 A T + 0 0 131 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.0 -0.509 59.6 94.2-122.2-169.6 42.9 46.8 60.4 50 50 A G + 0 0 58 1,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.610 58.0 138.8 96.1 15.1 40.4 44.7 62.2 51 51 A F - 0 0 24 -3,-0.1 -1,-0.3 -31,-0.1 -31,-0.2 -0.542 55.4-117.8 -93.1 158.5 37.9 47.5 63.0 52 52 A T E -F 19 0B 60 -33,-3.3 -33,-1.5 -2,-0.2 -26,-0.1 -0.859 31.9-131.4 -96.7 118.9 34.1 47.4 62.9 53 53 A P E -F 18 0B 109 0, 0.0 2,-0.4 0, 0.0 -35,-0.2 -0.405 23.4-172.6 -71.5 144.2 32.7 49.9 60.2 54 54 A V E -F 17 0B 24 -37,-2.5 -37,-1.8 -2,-0.1 2,-0.5 -1.000 9.3-159.6-139.1 133.9 29.8 52.3 61.2 55 55 A K E -F 16 0B 129 -2,-0.4 2,-0.7 -39,-0.2 -39,-0.2 -0.969 2.2-168.4-118.4 121.0 27.8 54.5 58.9 56 56 A I E -F 15 0B 0 -41,-3.0 -41,-2.4 -2,-0.5 2,-0.7 -0.904 8.5-173.2-109.9 101.9 26.0 57.5 60.4 57 57 A S E -F 14 0B 64 -2,-0.7 2,-0.2 -43,-0.2 -43,-0.2 -0.874 9.5-156.1 -99.0 114.8 23.7 58.9 57.7 58 58 A L - 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