==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 16-JUN-04 1TP8 . COMPND 2 MOLECULE: AGGLUTININ ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTOCARPUS HIRSUTUS; . AUTHOR K.N.RAO,C.G.SURESH,U.V.KATRE,S.M.GAIKWAD,M.I.KHAN . 596 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25247.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 426 71.5 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 . 305 51.2 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 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), 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+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 . 3 4 0 11 7 7 3 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 5 7 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 73 0, 0.0 2,-0.7 0, 0.0 120,-0.3 0.000 360.0 360.0 360.0 178.4 24.9 48.0 30.7 2 2 A K E -A 120 0A 146 118,-4.0 118,-1.4 1,-0.0 123,-0.1 -0.816 360.0-137.8 -98.0 114.8 26.7 47.3 27.4 3 3 A A E -A 119 0A 62 -2,-0.7 2,-0.3 116,-0.2 116,-0.3 -0.271 24.4-179.2 -69.4 145.3 26.6 50.2 25.0 4 4 A F E -A 118 0A 23 114,-3.1 114,-1.6 40,-0.0 2,-0.3 -0.963 16.6-168.2-138.4 163.8 25.9 49.7 21.3 5 5 A D E -A 117 0A 85 -2,-0.3 112,-0.2 112,-0.2 -2,-0.0 -0.824 4.8-175.0-154.4 108.7 25.6 51.8 18.1 6 6 A D - 0 0 20 110,-2.2 2,-0.2 -2,-0.3 111,-0.1 0.937 33.7-147.0 -73.3 -43.6 24.3 50.5 14.8 7 7 A G - 0 0 3 109,-0.6 109,-0.3 331,-0.0 2,-0.3 -0.629 33.7 -42.0 106.3-170.8 25.0 53.5 12.7 8 8 A A + 0 0 15 -2,-0.2 107,-0.2 107,-0.1 2,-0.2 -0.658 54.2 168.7-106.3 145.2 23.0 54.9 9.7 9 9 A F - 0 0 18 105,-1.7 25,-0.2 -2,-0.3 3,-0.1 -0.576 45.6-101.0-128.1-159.2 21.5 52.8 6.9 10 10 A T S S- 0 0 15 23,-2.2 430,-2.4 1,-0.3 2,-0.3 0.439 88.7 -28.9-113.7 -4.2 19.0 53.5 4.1 11 11 A G E -E 33 0B 2 22,-0.7 22,-1.8 103,-0.2 2,-0.4 -0.978 62.0 -95.3 175.4-173.8 15.9 51.9 5.6 12 12 A I E +E 32 0B 16 426,-0.3 20,-0.2 20,-0.3 3,-0.1 -0.997 28.2 167.9-134.0 132.0 14.5 49.3 8.0 13 13 A R E + 0 0 63 18,-2.4 45,-2.0 -2,-0.4 2,-0.4 0.794 66.7 8.9-109.0 -46.3 13.2 45.8 7.1 14 14 A E E -EF 31 57B 47 17,-2.1 17,-3.3 43,-0.2 2,-0.4 -0.995 51.9-162.3-146.2 137.3 12.8 43.9 10.3 15 15 A I E -EF 30 56B 1 41,-2.5 41,-3.4 -2,-0.4 2,-0.4 -0.968 9.1-173.6-114.1 129.6 12.9 44.6 14.0 16 16 A N E +EF 29 55B 34 13,-3.4 13,-2.0 -2,-0.4 2,-0.3 -0.980 17.0 154.1-123.4 119.5 13.3 41.7 16.6 17 17 A L E -EF 28 54B 5 37,-1.8 37,-2.3 -2,-0.4 2,-0.4 -0.929 27.7-140.7-138.7 166.6 13.0 42.4 20.3 18 18 A S E + F 0 53B 4 9,-2.1 8,-3.2 -2,-0.3 2,-0.3 -0.945 19.2 177.3-129.5 151.3 12.1 40.6 23.6 19 19 A Y E -EF 25 52B 56 33,-2.0 33,-4.1 -2,-0.4 2,-0.3 -0.848 22.5-137.3-140.2 175.1 10.2 41.7 26.6 20 20 A N - 0 0 41 4,-1.6 78,-0.4 -2,-0.3 31,-0.1 -0.990 17.2-138.5-136.4 129.9 8.8 40.6 30.0 21 21 A K S S+ 0 0 180 -2,-0.3 30,-0.0 1,-0.2 -1,-0.0 0.614 103.5 39.7 -67.9 -16.5 5.3 41.5 31.2 22 22 A E S S+ 0 0 159 2,-0.1 -1,-0.2 76,-0.1 -3,-0.0 0.763 127.5 19.8-101.0 -35.0 6.6 42.2 34.8 23 23 A T S S- 0 0 34 1,-0.2 2,-0.2 52,-0.1 75,-0.2 0.821 94.6 -86.5-104.5 -86.0 9.9 44.0 34.1 24 24 A A - 0 0 0 73,-0.1 -4,-1.6 48,-0.0 2,-0.4 -0.717 55.8 -36.0-163.4-149.4 11.0 45.7 30.9 25 25 A I E +E 19 0B 0 56,-1.4 99,-2.9 99,-0.2 -6,-0.3 -0.841 48.6 171.7 -99.9 138.0 12.6 45.3 27.4 26 26 A G E + 0 0 0 -8,-3.2 -1,-0.1 -2,-0.4 -7,-0.1 0.599 50.0 27.1-108.9-101.7 15.5 42.9 26.9 27 27 A D E - 0 0 47 19,-0.1 -9,-2.1 97,-0.1 2,-0.3 -0.350 58.4-172.4 -68.7 151.9 17.1 41.9 23.6 28 28 A F E +EG 17 44B 0 16,-2.1 16,-2.1 -11,-0.2 2,-0.3 -0.985 12.5 155.9-147.7 129.2 17.1 44.2 20.6 29 29 A Q E -EG 16 43B 28 -13,-2.0 -13,-3.4 -2,-0.3 2,-0.4 -0.979 16.0-162.5-157.2 137.6 18.1 43.5 17.0 30 30 A V E -E 15 0B 0 12,-0.5 11,-1.6 -2,-0.3 2,-0.6 -0.975 17.3-146.2-133.3 138.1 17.3 44.9 13.5 31 31 A V E -EG 14 40B 23 -17,-3.3 -18,-2.4 -2,-0.4 -17,-2.1 -0.876 33.2-163.2 -94.9 117.1 17.7 43.9 9.9 32 32 A Y E -EG 12 39B 0 7,-2.9 7,-2.0 -2,-0.6 2,-0.5 -0.541 20.8-113.1 -99.9 165.0 18.3 47.1 7.9 33 33 A D E -EG 11 38B 2 -22,-1.8 -23,-2.2 5,-0.2 -22,-0.7 -0.910 26.8-168.7 -96.7 129.6 18.1 48.0 4.2 34 34 A L S S- 0 0 11 3,-4.0 3,-0.4 -2,-0.5 -25,-0.0 -0.802 70.2 -44.7-122.0 86.8 21.5 48.7 2.6 35 35 A N S S- 0 0 58 -2,-0.5 -1,-0.1 1,-0.2 404,-0.0 0.934 124.3 -35.1 63.0 46.3 21.0 50.2 -0.8 36 36 A G S S+ 0 0 44 1,-0.2 -1,-0.2 273,-0.0 273,-0.0 0.449 124.9 91.6 89.3 -0.4 18.3 47.7 -1.8 37 37 A S S S- 0 0 71 -3,-0.4 -3,-4.0 1,-0.0 -1,-0.2 -0.973 79.7-102.9-129.2 146.7 19.8 44.7 0.0 38 38 A P E -G 33 0B 84 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.176 30.6-162.3 -62.2 150.5 19.2 43.4 3.5 39 39 A Y E -G 32 0B 79 -7,-2.0 -7,-2.9 2,-0.0 2,-0.8 -0.947 11.6-141.6-142.0 117.9 21.7 44.0 6.2 40 40 A V E -G 31 0B 102 -2,-0.3 -9,-0.2 -9,-0.2 3,-0.1 -0.696 18.7-151.6 -85.7 109.9 21.9 42.0 9.4 41 41 A G E - 0 0 8 -11,-1.6 -35,-0.0 -2,-0.8 -2,-0.0 -0.350 32.6 -86.5 -74.2 159.5 22.7 44.3 12.3 42 42 A Q E - 0 0 147 1,-0.1 2,-0.6 -2,-0.1 -12,-0.5 -0.190 46.5-112.9 -59.5 158.2 24.6 42.9 15.3 43 43 A N E -G 29 0B 92 -14,-0.1 2,-1.0 -3,-0.1 -14,-0.2 -0.902 21.1-152.4-105.5 120.5 22.3 41.3 18.0 44 44 A H E -G 28 0B 17 -16,-2.1 -16,-2.1 -2,-0.6 2,-0.2 -0.780 21.3-170.7 -96.1 91.7 22.1 43.1 21.3 45 45 A S - 0 0 71 -2,-1.0 2,-0.2 -18,-0.2 75,-0.1 -0.466 20.0-116.3 -89.5 153.8 21.3 40.6 24.0 46 46 A S - 0 0 16 2,-0.2 76,-0.2 -2,-0.2 -1,-0.1 -0.486 23.3-118.9 -79.6 154.4 20.4 41.0 27.6 47 47 A F S S+ 0 0 120 74,-2.5 2,-0.2 -2,-0.2 75,-0.2 0.539 95.4 38.3 -69.1 -16.2 22.6 39.8 30.4 48 48 A I S S- 0 0 62 74,-0.4 -2,-0.2 73,-0.3 2,-0.2 -0.695 77.4-124.7-126.7-173.5 19.8 37.5 31.7 49 49 A S + 0 0 113 -2,-0.2 -2,-0.0 1,-0.1 -1,-0.0 -0.603 62.7 88.0-125.2-177.7 17.0 35.3 30.3 50 50 A G + 0 0 59 1,-0.3 2,-0.1 -2,-0.2 -1,-0.1 0.521 57.0 132.8 104.6 9.0 13.2 34.9 30.5 51 51 A F - 0 0 30 -3,-0.1 -1,-0.3 -31,-0.1 -31,-0.2 -0.444 54.2-120.0 -92.5 167.8 11.9 37.3 27.9 52 52 A T E -F 19 0B 68 -33,-4.1 -33,-2.0 -2,-0.1 2,-0.2 -0.861 28.5-131.1-104.3 127.0 9.3 36.8 25.1 53 53 A P E -F 18 0B 108 0, 0.0 2,-0.4 0, 0.0 -35,-0.2 -0.514 22.0-172.5 -78.1 141.8 10.5 37.3 21.5 54 54 A V E -F 17 0B 24 -37,-2.3 -37,-1.8 -2,-0.2 2,-0.5 -0.999 7.5-159.3-131.3 135.6 8.6 39.5 19.1 55 55 A K E -F 16 0B 132 -2,-0.4 2,-0.6 -39,-0.2 -39,-0.2 -0.982 3.9-170.2-119.2 124.5 9.3 39.8 15.3 56 56 A I E -F 15 0B 2 -41,-3.4 -41,-2.5 -2,-0.5 2,-0.7 -0.956 7.0-173.0-113.2 109.0 8.1 42.9 13.5 57 57 A S E -F 14 0B 59 -2,-0.6 -43,-0.2 -43,-0.2 2,-0.2 -0.904 9.3-153.6-111.1 108.3 8.5 42.5 9.7 58 58 A L - 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