==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 23-JUN-03 1UGY . COMPND 2 MOLECULE: AGGLUTININ ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTOCARPUS INTEGER; . AUTHOR A.A.JEYAPRAKASH,S.KATIYAR,C.P.SWAMINATHAN,K.SEKAR,A.SUROLIA, . 598 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24956.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 434 72.6 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 . 72 12.0 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 0.000 360.0 360.0 360.0-168.0 50.5 59.5 64.1 2 2 A K E -A 120 0A 149 118,-2.5 118,-2.0 1,-0.0 2,-0.1 -0.790 360.0-134.8 -92.1 122.6 49.8 61.3 60.8 3 3 A A E -A 119 0A 69 -2,-0.6 2,-0.3 116,-0.2 116,-0.3 -0.387 23.9-174.6 -74.9 150.1 48.1 64.7 61.2 4 4 A F E -A 118 0A 19 114,-2.8 114,-2.6 -2,-0.1 2,-0.3 -0.990 15.3-170.1-145.3 153.4 45.1 65.7 59.1 5 5 A D E -A 117 0A 90 -2,-0.3 112,-0.2 112,-0.2 -2,-0.0 -0.863 5.9-179.2-148.2 106.8 43.0 68.9 58.6 6 6 A D - 0 0 18 110,-2.2 2,-0.2 -2,-0.3 111,-0.1 0.802 35.9-146.8 -75.5 -31.2 39.8 68.8 56.7 7 7 A G - 0 0 3 109,-0.6 109,-0.4 331,-0.0 2,-0.3 -0.488 32.9 -41.5 94.0-167.6 39.1 72.5 57.1 8 8 A A + 0 0 17 -2,-0.2 107,-0.2 107,-0.1 2,-0.2 -0.805 56.2 168.4-106.4 144.4 35.7 74.2 57.4 9 9 A F - 0 0 17 105,-2.7 25,-0.2 -2,-0.3 3,-0.1 -0.573 47.5 -89.8-132.2-165.0 32.5 73.5 55.4 10 10 A T S S- 0 0 10 23,-2.5 431,-2.5 1,-0.2 2,-0.3 0.693 89.0 -49.9 -88.0 -22.8 28.8 74.3 55.4 11 11 A G E -E 33 0B 2 22,-1.0 22,-2.3 103,-0.2 2,-0.5 -0.978 61.2 -75.7 172.5-172.6 27.6 71.4 57.5 12 12 A I E +E 32 0B 13 427,-0.3 20,-0.2 -2,-0.3 3,-0.1 -0.958 32.8 166.6-119.9 127.0 27.7 67.7 58.1 13 13 A R E + 0 0 60 18,-2.2 45,-2.3 -2,-0.5 2,-0.3 0.794 69.8 1.2-101.7 -39.8 25.9 65.1 56.0 14 14 A E E -EF 31 57B 42 17,-2.1 17,-3.5 43,-0.2 2,-0.5 -0.983 51.9-153.9-157.6 140.8 27.5 61.8 57.1 15 15 A I E -EF 30 56B 2 41,-2.3 41,-2.7 -2,-0.3 2,-0.5 -0.967 11.1-172.1-117.2 125.1 30.2 60.5 59.4 16 16 A N E +EF 29 55B 31 13,-3.1 13,-2.3 -2,-0.5 2,-0.3 -0.965 20.6 151.2-119.2 117.1 32.1 57.2 58.7 17 17 A L E -EF 28 54B 6 37,-1.9 37,-2.2 -2,-0.5 2,-0.3 -0.914 29.5-145.5-139.4 165.9 34.4 55.8 61.4 18 18 A S E + F 0 53B 4 9,-1.8 8,-2.8 -2,-0.3 2,-0.3 -0.940 20.9 170.0-131.5 154.0 35.7 52.5 62.6 19 19 A Y E -EF 25 52B 36 33,-1.3 33,-3.5 -2,-0.3 2,-0.4 -0.928 29.6-132.6-153.2 175.8 36.5 51.3 66.1 20 20 A N > - 0 0 51 4,-1.2 3,-2.4 -2,-0.3 78,-0.4 -0.958 18.1-142.1-139.6 113.9 37.5 48.3 68.3 21 21 A K T 3 S+ 0 0 110 -2,-0.4 78,-0.1 1,-0.3 4,-0.1 0.671 102.3 47.5 -52.6 -18.6 35.5 47.9 71.5 22 22 A E T 3 S+ 0 0 152 2,-0.1 -1,-0.3 76,-0.1 60,-0.0 0.469 126.1 16.3-104.2 -1.9 38.7 46.7 73.3 23 23 A T S < S- 0 0 36 -3,-2.4 2,-0.3 1,-0.2 75,-0.2 0.391 99.4 -77.7-128.3 -91.2 41.1 49.5 72.1 24 24 A A - 0 0 0 73,-0.1 -4,-1.2 48,-0.0 2,-0.3 -0.888 56.3 -44.7-162.7-168.0 40.1 52.8 70.6 25 25 A I E +E 19 0B 0 56,-2.0 99,-2.4 -2,-0.3 -6,-0.3 -0.558 48.9 175.0 -78.5 137.7 38.9 54.7 67.5 26 26 A G E + 0 0 0 -8,-2.8 -1,-0.1 1,-0.3 -7,-0.1 0.659 50.1 26.3-105.6 -96.8 40.5 53.8 64.2 27 27 A D E - 0 0 39 19,-0.1 -9,-1.8 18,-0.1 2,-0.3 -0.340 58.6-171.1 -75.1 153.8 39.5 55.3 60.9 28 28 A F E +EG 17 44B 7 16,-2.2 16,-2.1 -11,-0.2 2,-0.3 -0.946 13.2 156.5-150.3 125.1 37.7 58.6 60.5 29 29 A Q E -E 16 0B 20 -13,-2.3 -13,-3.1 -2,-0.3 2,-0.4 -0.995 18.7-156.5-150.1 141.3 36.1 60.2 57.4 30 30 A V E -E 15 0B 0 12,-0.4 11,-2.1 -2,-0.3 2,-0.8 -0.964 13.1-150.9-127.9 137.5 33.4 62.8 56.9 31 31 A V E -EH 14 40B 21 -17,-3.5 -18,-2.2 -2,-0.4 -17,-2.1 -0.914 33.5-167.4-102.9 107.4 31.0 63.6 54.1 32 32 A Y E -EH 12 39B 0 7,-2.5 7,-3.0 -2,-0.8 2,-0.5 -0.346 21.8-116.4 -90.8 171.1 30.5 67.4 54.5 33 33 A D E -EH 11 38B 1 -22,-2.3 -23,-2.5 5,-0.2 -22,-1.0 -0.923 23.7-169.6-106.6 136.1 28.0 69.8 53.0 34 34 A L E > S- H 0 37B 9 3,-3.1 3,-0.9 -2,-0.5 277,-0.0 -0.789 71.5 -43.6-128.2 86.3 29.4 72.4 50.7 35 35 A N T 3 S- 0 0 47 -2,-0.4 272,-0.1 1,-0.2 405,-0.0 0.915 123.3 -36.4 60.2 47.1 26.8 75.0 49.9 36 36 A G T 3 S+ 0 0 50 1,-0.2 -1,-0.2 273,-0.0 273,-0.0 0.313 122.6 94.0 92.5 -11.0 24.0 72.5 49.3 37 37 A S E < S-H 34 0B 64 -3,-0.9 -3,-3.1 2,-0.0 -1,-0.2 -0.888 79.6-106.4-117.1 148.8 26.1 69.8 47.6 38 38 A P E -H 33 0B 87 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.492 30.2-165.4 -72.3 136.3 27.8 66.8 49.2 39 39 A Y E -H 32 0B 89 -7,-3.0 -7,-2.5 -2,-0.2 2,-0.7 -0.957 12.7-142.6-127.9 113.0 31.6 67.0 49.6 40 40 A V E -H 31 0B 106 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.1 -0.637 19.5-144.4 -78.4 111.3 33.4 63.7 50.3 41 41 A G - 0 0 6 -11,-2.1 -35,-0.0 -2,-0.7 -1,-0.0 -0.317 29.9 -84.9 -74.1 157.2 36.3 64.4 52.7 42 42 A Q - 0 0 131 1,-0.1 2,-0.6 -13,-0.1 -12,-0.4 -0.240 46.1-114.2 -57.9 145.9 39.6 62.6 52.6 43 43 A N - 0 0 88 -14,-0.1 2,-1.0 -3,-0.1 -14,-0.2 -0.762 22.6-155.3 -89.4 122.1 39.6 59.2 54.4 44 44 A H B -G 28 0B 13 -16,-2.1 -16,-2.2 -2,-0.6 2,-0.2 -0.818 20.9-166.8-101.2 98.9 41.9 59.2 57.4 45 45 A V - 0 0 84 -2,-1.0 2,-0.1 -18,-0.2 75,-0.1 -0.564 20.0-113.8 -92.5 150.0 42.9 55.6 57.9 46 46 A S - 0 0 10 -2,-0.2 76,-0.2 2,-0.2 77,-0.1 -0.402 26.8-119.1 -73.4 151.7 44.6 53.8 60.8 47 47 A F S S+ 0 0 123 74,-3.3 75,-0.2 -2,-0.1 2,-0.2 0.785 99.6 37.6 -63.4 -25.6 48.0 52.4 60.3 48 48 A I S S- 0 0 53 73,-0.3 -2,-0.2 74,-0.3 2,-0.2 -0.523 78.1-135.1-115.3-176.1 46.5 49.0 61.1 49 49 A T + 0 0 131 -2,-0.2 -2,-0.0 1,-0.1 -1,-0.0 -0.665 58.1 93.6-130.3-175.1 43.2 47.2 60.4 50 50 A G + 0 0 60 1,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.687 55.6 137.5 99.9 21.4 40.6 45.0 62.2 51 51 A F - 0 0 26 -3,-0.1 -1,-0.3 -31,-0.1 -31,-0.2 -0.564 56.8-112.1 -97.7 162.6 38.1 47.7 63.2 52 52 A T E -F 19 0B 63 -33,-3.5 -33,-1.3 -2,-0.2 -26,-0.1 -0.850 33.9-132.2 -95.9 118.6 34.3 47.7 63.1 53 53 A P E -F 18 0B 107 0, 0.0 2,-0.4 0, 0.0 -35,-0.2 -0.364 23.1-172.3 -70.2 148.1 32.9 50.1 60.5 54 54 A V E -F 17 0B 25 -37,-2.2 -37,-1.9 -2,-0.1 2,-0.5 -0.996 8.9-159.4-142.9 133.7 30.1 52.5 61.4 55 55 A K E -F 16 0B 129 -2,-0.4 2,-0.6 -39,-0.2 -39,-0.2 -0.964 1.6-167.4-117.0 127.6 28.1 54.8 59.2 56 56 A I E -F 15 0B 3 -41,-2.7 -41,-2.3 -2,-0.5 2,-0.6 -0.916 8.3-173.4-115.9 102.0 26.2 57.8 60.6 57 57 A S E -F 14 0B 67 -2,-0.6 2,-0.3 -43,-0.2 -43,-0.2 -0.874 10.1-155.2 -98.0 121.8 23.8 59.2 58.0 58 58 A L - 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