==== 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 1WS5 . 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) . 24452.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 442 73.9 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 . 82 13.7 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 74 0, 0.0 2,-0.6 0, 0.0 120,-0.3 0.000 360.0 360.0 360.0-163.6 50.2 59.3 64.1 2 2 A K E -A 120 0A 140 118,-2.6 118,-2.2 1,-0.0 2,-0.1 -0.793 360.0-136.4 -92.8 121.1 49.5 61.1 60.9 3 3 A A E -A 119 0A 65 -2,-0.6 2,-0.3 116,-0.3 116,-0.3 -0.335 22.8-175.7 -73.7 154.1 47.7 64.4 61.3 4 4 A F E -A 118 0A 21 114,-2.8 114,-2.6 -2,-0.1 2,-0.3 -0.976 15.0-170.2-146.8 157.1 44.8 65.5 59.1 5 5 A D E -A 117 0A 86 -2,-0.3 112,-0.2 112,-0.3 -2,-0.0 -0.817 4.3-176.1-153.0 104.0 42.7 68.6 58.8 6 6 A D - 0 0 20 110,-2.4 2,-0.2 -2,-0.3 111,-0.2 0.789 36.3-145.0 -72.5 -28.5 39.6 68.5 56.6 7 7 A G - 0 0 3 109,-0.6 109,-0.4 331,-0.0 2,-0.4 -0.510 33.3 -42.1 93.9-166.2 38.8 72.2 57.0 8 8 A A + 0 0 16 -2,-0.2 107,-0.2 107,-0.2 2,-0.2 -0.810 56.5 169.5-107.6 144.1 35.4 73.8 57.3 9 9 A F - 0 0 17 105,-2.5 25,-0.2 -2,-0.4 3,-0.1 -0.575 47.4 -90.4-132.1-164.8 32.3 73.1 55.2 10 10 A T S S- 0 0 13 23,-2.3 431,-2.6 1,-0.2 2,-0.3 0.700 90.1 -48.3 -87.4 -24.1 28.6 73.8 55.0 11 11 A G E -E 33 0B 2 22,-1.1 22,-2.1 103,-0.2 2,-0.4 -0.974 61.5 -78.2 175.2-170.7 27.4 70.9 57.1 12 12 A I E +E 32 0B 13 427,-0.3 20,-0.2 -2,-0.3 3,-0.1 -0.970 32.3 167.4-121.8 129.3 27.7 67.1 57.7 13 13 A R E + 0 0 63 18,-2.7 45,-2.2 -2,-0.4 2,-0.3 0.788 69.0 2.8-105.0 -40.8 25.9 64.5 55.5 14 14 A E E -EF 31 57B 42 17,-2.3 17,-3.4 43,-0.2 2,-0.5 -0.999 51.8-156.4-152.4 145.1 27.6 61.3 56.6 15 15 A I E -EF 30 56B 0 41,-2.3 41,-2.9 -2,-0.3 2,-0.5 -0.989 9.8-171.6-124.9 124.9 30.2 59.9 59.0 16 16 A N E +EF 29 55B 31 13,-3.3 13,-2.3 -2,-0.5 2,-0.3 -0.968 20.4 152.4-117.9 116.9 32.1 56.7 58.3 17 17 A L E -EF 28 54B 5 37,-1.8 37,-2.1 -2,-0.5 2,-0.3 -0.930 29.2-145.3-139.6 163.4 34.3 55.4 61.1 18 18 A S E + F 0 53B 4 9,-1.7 8,-2.8 -2,-0.3 2,-0.3 -0.931 20.2 174.7-128.5 154.1 35.6 52.1 62.3 19 19 A Y E -EF 25 52B 37 33,-1.8 33,-3.4 -2,-0.3 2,-0.5 -0.962 28.5-135.3-152.5 167.1 36.3 50.9 65.9 20 20 A N > - 0 0 50 4,-1.4 3,-1.8 -2,-0.3 78,-0.4 -0.990 18.4-143.9-129.2 117.8 37.3 48.0 68.0 21 21 A K T 3 S+ 0 0 108 -2,-0.5 78,-0.2 1,-0.3 -1,-0.1 0.688 100.3 46.6 -57.1 -19.9 35.2 47.5 71.1 22 22 A E T 3 S+ 0 0 152 2,-0.1 -1,-0.3 76,-0.1 60,-0.0 0.461 127.8 15.4-103.6 -1.5 38.2 46.3 73.1 23 23 A T S < S- 0 0 37 -3,-1.8 75,-0.3 1,-0.2 2,-0.3 0.359 101.0 -75.7-129.7 -90.1 40.7 49.0 72.0 24 24 A A - 0 0 0 73,-0.1 -4,-1.4 48,-0.0 58,-0.2 -0.909 53.5 -48.0-163.1-171.5 39.7 52.3 70.4 25 25 A I E +E 19 0B 0 56,-1.9 99,-2.5 -2,-0.3 -6,-0.3 -0.529 47.4 172.3 -76.0 138.3 38.5 54.2 67.3 26 26 A G E + 0 0 0 -8,-2.8 -1,-0.1 1,-0.3 -7,-0.1 0.630 50.0 31.0-109.6 -94.5 40.4 53.6 64.1 27 27 A D E - 0 0 40 18,-0.1 -9,-1.7 19,-0.1 2,-0.3 -0.327 58.3-172.7 -73.4 152.1 39.4 54.9 60.7 28 28 A F E +EG 17 44B 6 16,-2.5 16,-2.2 -11,-0.2 2,-0.3 -0.950 12.1 158.2-149.8 124.6 37.5 58.3 60.3 29 29 A Q E -E 16 0B 20 -13,-2.3 -13,-3.3 -2,-0.3 2,-0.4 -0.996 17.6-158.5-147.5 140.5 36.0 59.8 57.1 30 30 A V E -E 15 0B 0 12,-0.4 11,-2.2 -2,-0.3 2,-0.7 -0.968 12.8-151.7-127.5 139.0 33.3 62.4 56.6 31 31 A V E -EH 14 40B 20 -17,-3.4 -18,-2.7 -2,-0.4 -17,-2.3 -0.938 31.6-166.9-104.8 109.9 31.0 63.2 53.8 32 32 A Y E -EH 12 39B 0 7,-2.6 7,-3.0 -2,-0.7 2,-0.5 -0.430 22.3-117.2 -93.0 169.2 30.4 67.0 54.1 33 33 A D E -EH 11 38B 1 -22,-2.1 -23,-2.3 5,-0.2 -22,-1.1 -0.899 24.5-167.8-103.1 137.8 27.8 69.2 52.5 34 34 A L E > S- H 0 37B 9 3,-3.1 3,-1.4 -2,-0.5 277,-0.0 -0.849 71.4 -42.1-128.8 91.7 29.4 71.9 50.4 35 35 A N T 3 S- 0 0 49 -2,-0.5 272,-0.1 1,-0.3 405,-0.0 0.888 124.9 -35.9 55.2 46.7 26.8 74.5 49.6 36 36 A G T 3 S+ 0 0 50 1,-0.2 -1,-0.3 273,-0.0 273,-0.0 0.231 123.5 90.5 96.2 -15.4 24.1 72.0 48.8 37 37 A S E < S-H 34 0B 70 -3,-1.4 -3,-3.1 1,-0.0 -1,-0.2 -0.895 80.6-105.5-117.1 146.7 26.2 69.3 47.2 38 38 A P E -H 33 0B 83 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.387 29.1-163.0 -67.2 143.1 28.0 66.3 48.9 39 39 A Y E -H 32 0B 88 -7,-3.0 -7,-2.6 -2,-0.1 2,-0.7 -0.951 14.1-139.0-131.3 111.6 31.7 66.6 49.3 40 40 A V E -H 31 0B 102 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.583 19.3-145.8 -74.6 111.6 33.6 63.4 50.0 41 41 A G - 0 0 5 -11,-2.2 -35,-0.0 -2,-0.7 -1,-0.0 -0.351 31.0 -86.3 -73.9 158.2 36.3 64.0 52.6 42 42 A Q - 0 0 130 1,-0.1 2,-0.6 -13,-0.1 -12,-0.4 -0.319 43.9-112.4 -63.1 143.6 39.6 62.1 52.5 43 43 A N - 0 0 89 -14,-0.1 2,-0.9 -3,-0.1 -14,-0.2 -0.713 25.7-155.5 -82.4 119.6 39.5 58.7 54.3 44 44 A H B -G 28 0B 12 -16,-2.2 -16,-2.5 -2,-0.6 2,-0.3 -0.847 21.8-165.2 -99.4 103.3 41.8 58.9 57.3 45 45 A V - 0 0 75 -2,-0.9 -18,-0.1 -18,-0.2 75,-0.1 -0.685 20.1-120.0-101.0 145.1 42.9 55.3 58.0 46 46 A S - 0 0 10 -2,-0.3 76,-0.2 2,-0.2 77,-0.1 -0.297 25.6-124.4 -67.3 157.8 44.5 53.5 60.9 47 47 A F S S+ 0 0 130 74,-2.0 2,-0.2 2,-0.1 75,-0.2 0.584 93.3 49.3 -82.0 -9.7 47.8 51.9 60.2 48 48 A I S S- 0 0 52 73,-0.3 2,-0.2 74,-0.3 -2,-0.2 -0.693 75.3-135.8-121.3 176.3 46.4 48.5 61.4 49 49 A T + 0 0 133 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.0 -0.482 60.2 92.2-119.9-169.9 43.2 46.5 60.7 50 50 A G + 0 0 56 1,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.602 58.6 139.5 95.6 14.4 40.6 44.5 62.6 51 51 A F - 0 0 27 -3,-0.1 -1,-0.3 -31,-0.1 -31,-0.2 -0.566 53.5-123.2 -92.9 155.4 38.1 47.3 63.0 52 52 A T E -F 19 0B 62 -33,-3.4 -33,-1.8 -2,-0.2 -26,-0.1 -0.870 29.9-132.5 -97.8 121.1 34.3 47.2 62.7 53 53 A P E -F 18 0B 107 0, 0.0 2,-0.4 0, 0.0 -35,-0.2 -0.424 22.9-172.0 -73.8 148.1 33.0 49.7 60.1 54 54 A V E -F 17 0B 27 -37,-2.1 -37,-1.8 -2,-0.1 2,-0.5 -0.997 9.6-158.0-142.4 134.8 30.1 52.0 60.9 55 55 A K E -F 16 0B 128 -2,-0.4 2,-0.7 -39,-0.2 -39,-0.2 -0.967 2.6-168.2-117.7 123.9 28.1 54.3 58.6 56 56 A I E -F 15 0B 2 -41,-2.9 -41,-2.3 -2,-0.5 2,-0.7 -0.906 8.0-173.3-111.6 101.4 26.2 57.2 60.1 57 57 A S E -F 14 0B 65 -2,-0.7 2,-0.2 -43,-0.2 -43,-0.2 -0.865 10.2-156.1 -99.0 112.3 23.9 58.6 57.4 58 58 A L - 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