==== 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 22-JUN-03 1UGW . 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) . 24569.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 438 73.2 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 . 81 13.5 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 71 0, 0.0 2,-0.6 0, 0.0 120,-0.3 0.000 360.0 360.0 360.0-178.1 50.2 59.7 64.2 2 2 A K E -A 120 0A 142 118,-2.8 118,-1.9 1,-0.0 2,-0.1 -0.794 360.0-135.8 -91.4 117.8 49.4 61.4 60.9 3 3 A A E -A 119 0A 65 -2,-0.6 2,-0.3 116,-0.2 116,-0.3 -0.402 24.3-176.2 -72.7 147.3 47.8 64.8 61.4 4 4 A F E -A 118 0A 21 114,-2.7 114,-2.5 -2,-0.1 2,-0.3 -0.952 15.0-170.9-139.7 159.7 44.8 65.8 59.4 5 5 A D E -A 117 0A 88 -2,-0.3 112,-0.2 112,-0.2 -2,-0.0 -0.787 5.5-177.5-155.4 102.9 42.6 68.9 59.0 6 6 A D - 0 0 20 110,-2.2 111,-0.2 -2,-0.3 2,-0.2 0.796 36.1-146.8 -73.1 -29.7 39.4 68.8 57.0 7 7 A G - 0 0 3 109,-0.7 109,-0.4 331,-0.0 2,-0.3 -0.483 33.0 -40.9 93.3-167.3 38.7 72.5 57.5 8 8 A A + 0 0 15 107,-0.2 107,-0.2 -2,-0.2 2,-0.2 -0.798 55.8 168.3-105.9 143.8 35.3 74.2 57.9 9 9 A F - 0 0 20 105,-2.5 25,-0.2 -2,-0.3 3,-0.1 -0.514 48.4 -90.3-130.5-162.8 32.2 73.5 55.9 10 10 A T S S- 0 0 13 23,-2.4 431,-2.5 1,-0.3 2,-0.3 0.613 89.8 -45.9 -93.7 -15.2 28.4 74.3 56.0 11 11 A G E -E 33 0B 2 22,-0.9 22,-2.2 103,-0.2 2,-0.4 -0.977 61.8 -78.8 170.4-174.2 27.3 71.4 58.1 12 12 A I E +E 32 0B 14 427,-0.3 20,-0.2 -2,-0.3 3,-0.1 -0.962 31.7 167.0-120.9 130.1 27.5 67.6 58.6 13 13 A R E + 0 0 63 18,-2.5 45,-2.3 -2,-0.4 2,-0.3 0.783 69.0 1.6-105.5 -41.0 25.7 64.9 56.6 14 14 A E E -EF 31 57B 43 17,-2.0 17,-3.3 43,-0.2 2,-0.5 -0.997 51.7-155.3-153.4 144.8 27.4 61.7 57.6 15 15 A I E -EF 30 56B 0 41,-2.4 41,-3.1 -2,-0.3 2,-0.6 -0.985 9.3-170.6-123.8 124.5 30.1 60.4 59.9 16 16 A N E +EF 29 55B 30 13,-3.1 13,-2.0 -2,-0.5 2,-0.3 -0.956 20.7 155.5-116.5 113.7 31.9 57.1 59.1 17 17 A L E -EF 28 54B 5 37,-1.8 37,-2.4 -2,-0.6 2,-0.3 -0.877 28.2-147.1-133.2 164.7 34.2 55.8 61.8 18 18 A S E + F 0 53B 3 9,-1.9 8,-3.5 -2,-0.3 2,-0.3 -0.962 20.7 172.4-131.1 149.9 35.7 52.5 62.9 19 19 A Y E -EF 25 52B 34 33,-1.8 33,-3.4 -2,-0.3 2,-0.5 -0.956 29.1-135.1-150.7 167.1 36.5 51.4 66.5 20 20 A N > - 0 0 50 4,-1.7 3,-1.7 -2,-0.3 78,-0.3 -0.995 18.1-143.1-128.3 120.5 37.6 48.4 68.5 21 21 A K T 3 S+ 0 0 105 -2,-0.5 78,-0.1 1,-0.3 4,-0.1 0.617 100.6 47.6 -61.4 -11.9 35.6 47.9 71.7 22 22 A E T 3 S+ 0 0 152 2,-0.1 -1,-0.3 76,-0.1 60,-0.0 0.462 127.3 14.8-108.1 -2.7 38.7 46.7 73.5 23 23 A T S < S- 0 0 39 -3,-1.7 75,-0.3 1,-0.2 2,-0.3 0.426 101.3 -75.6-130.0 -85.9 41.1 49.5 72.4 24 24 A A - 0 0 0 73,-0.1 -4,-1.7 48,-0.0 58,-0.2 -0.923 55.1 -45.5-166.4-171.3 40.0 52.7 70.8 25 25 A I E +E 19 0B 0 56,-1.9 99,-2.0 -2,-0.3 -6,-0.3 -0.506 49.1 174.5 -73.9 141.1 38.7 54.7 67.8 26 26 A G E + 0 0 0 -8,-3.5 -1,-0.1 1,-0.4 -7,-0.1 0.586 49.8 26.3-111.0 -97.3 40.4 53.9 64.5 27 27 A D E - 0 0 39 18,-0.1 -9,-1.9 19,-0.1 -1,-0.4 -0.332 59.4-170.9 -73.6 153.8 39.3 55.3 61.1 28 28 A F E +EG 17 44B 7 16,-2.4 16,-2.2 -11,-0.2 2,-0.3 -0.952 12.6 159.1-150.1 124.5 37.5 58.6 60.8 29 29 A Q E -E 16 0B 17 -13,-2.0 -13,-3.1 -2,-0.3 2,-0.4 -0.996 17.7-157.7-147.0 141.8 35.8 60.2 57.7 30 30 A V E -E 15 0B 0 12,-0.4 11,-2.2 -2,-0.3 2,-0.8 -0.969 13.1-150.9-128.0 137.2 33.1 62.8 57.4 31 31 A V E -EH 14 40B 18 -17,-3.3 -18,-2.5 -2,-0.4 -17,-2.0 -0.922 32.5-165.8-101.4 109.6 30.7 63.6 54.6 32 32 A Y E -EH 12 39B 0 7,-2.7 7,-3.1 -2,-0.8 2,-0.5 -0.407 22.0-117.6 -91.3 169.0 30.2 67.4 54.9 33 33 A D E -EH 11 38B 2 -22,-2.2 -23,-2.4 5,-0.2 -22,-0.9 -0.923 25.4-168.0-104.0 133.6 27.5 69.7 53.5 34 34 A L E > S- H 0 37B 9 3,-3.1 3,-1.0 -2,-0.5 277,-0.0 -0.834 71.0 -42.2-125.3 90.6 29.1 72.3 51.3 35 35 A N T 3 S- 0 0 47 -2,-0.5 272,-0.1 1,-0.2 405,-0.0 0.879 124.5 -37.0 57.8 42.8 26.5 74.9 50.5 36 36 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.2 273,-0.0 273,-0.0 0.347 122.9 93.9 95.4 -7.6 23.7 72.4 49.9 37 37 A S E < S-H 34 0B 70 -3,-1.0 -3,-3.1 2,-0.0 -1,-0.2 -0.943 80.1-107.0-121.2 142.1 25.7 69.7 48.2 38 38 A P E -H 33 0B 82 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.388 30.3-163.9 -65.0 138.1 27.4 66.7 49.8 39 39 A Y E -H 32 0B 85 -7,-3.1 -7,-2.7 -2,-0.1 2,-0.7 -0.964 12.9-140.9-128.1 113.3 31.2 66.9 50.1 40 40 A V E -H 31 0B 105 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.1 -0.626 19.9-145.1 -77.3 113.4 33.0 63.7 50.8 41 41 A G - 0 0 6 -11,-2.2 -1,-0.0 -2,-0.7 -35,-0.0 -0.294 30.2 -84.1 -75.0 162.2 35.9 64.3 53.1 42 42 A Q - 0 0 121 1,-0.1 2,-0.7 -13,-0.1 -12,-0.4 -0.340 44.6-116.6 -62.7 143.7 39.2 62.5 53.0 43 43 A N - 0 0 88 -14,-0.1 2,-0.9 -3,-0.1 -14,-0.2 -0.772 24.0-155.2 -86.9 118.5 39.2 59.1 54.8 44 44 A H B -G 28 0B 12 -16,-2.2 -16,-2.4 -2,-0.7 2,-0.3 -0.842 20.9-165.2 -96.9 106.5 41.7 59.3 57.7 45 45 A V - 0 0 80 -2,-0.9 75,-0.1 -18,-0.2 -18,-0.1 -0.679 19.5-115.0-101.7 149.8 42.7 55.7 58.3 46 46 A S - 0 0 10 -2,-0.3 76,-0.2 2,-0.2 77,-0.1 -0.305 27.8-119.7 -69.1 158.0 44.5 53.9 61.1 47 47 A F S S+ 0 0 128 74,-2.3 2,-0.2 2,-0.1 75,-0.2 0.693 96.8 43.9 -73.1 -18.8 47.9 52.4 60.4 48 48 A I S S- 0 0 66 73,-0.3 -2,-0.2 74,-0.3 2,-0.2 -0.615 75.8-133.1-118.9 179.7 46.4 49.0 61.4 49 49 A T + 0 0 131 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.1 -0.513 60.6 91.4-121.3-172.3 43.2 47.0 60.8 50 50 A G + 0 0 57 1,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.632 58.0 138.7 96.1 16.3 40.7 45.0 62.7 51 51 A F - 0 0 26 -3,-0.1 -1,-0.3 -31,-0.1 -31,-0.2 -0.557 54.2-120.3 -94.3 158.8 38.2 47.7 63.5 52 52 A T E -F 19 0B 61 -33,-3.4 -33,-1.8 -2,-0.2 -26,-0.1 -0.870 30.7-133.6 -98.8 119.9 34.4 47.6 63.4 53 53 A P E -F 18 0B 107 0, 0.0 2,-0.4 0, 0.0 -35,-0.2 -0.402 21.7-172.7 -74.1 149.1 32.9 50.1 60.9 54 54 A V E -F 17 0B 26 -37,-2.4 -37,-1.8 -2,-0.1 2,-0.5 -0.995 10.1-157.4-143.0 134.2 30.0 52.4 61.8 55 55 A K E -F 16 0B 129 -2,-0.4 2,-0.8 -39,-0.2 -39,-0.2 -0.966 3.3-166.7-116.9 120.3 28.0 54.7 59.6 56 56 A I E -F 15 0B 1 -41,-3.1 -41,-2.4 -2,-0.5 2,-0.7 -0.880 8.4-172.2-108.5 99.5 26.2 57.6 61.2 57 57 A S E -F 14 0B 66 -2,-0.8 2,-0.2 -43,-0.2 -43,-0.2 -0.839 8.7-156.3 -96.4 113.6 23.7 59.0 58.6 58 58 A L - 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