==== 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 15-JUN-04 1TOQ . 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 . 592 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 72.1 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 52.0 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 . 69 11.7 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 69 0, 0.0 2,-0.5 0, 0.0 120,-0.3 0.000 360.0 360.0 360.0 177.0 57.0 29.7 2.4 2 2 A K E -A 120 0A 127 118,-2.8 118,-1.8 119,-0.0 2,-0.1 -0.812 360.0-133.9 -97.1 122.3 58.7 30.6 5.6 3 3 A A E -A 119 0A 67 -2,-0.5 2,-0.3 116,-0.2 116,-0.3 -0.474 26.3-176.7 -68.4 152.7 56.9 29.4 8.7 4 4 A F E -A 118 0A 18 114,-2.8 114,-2.6 -2,-0.1 2,-0.3 -0.968 14.8-170.6-145.3 160.8 56.4 31.9 11.6 5 5 A D E -A 117 0A 86 -2,-0.3 112,-0.2 112,-0.3 -2,-0.0 -0.829 5.8-173.4-154.6 103.6 54.9 31.6 15.1 6 6 A D - 0 0 17 110,-2.3 2,-0.2 -2,-0.3 111,-0.1 0.810 35.6-140.7 -68.7 -36.2 54.3 34.7 17.2 7 7 A G - 0 0 2 109,-0.5 109,-0.4 329,-0.0 2,-0.3 -0.493 34.5 -50.0 98.5-176.4 53.2 32.8 20.4 8 8 A A + 0 0 15 -2,-0.2 107,-0.2 107,-0.2 2,-0.2 -0.727 55.5 172.4-101.7 140.5 50.4 33.9 22.8 9 9 A F - 0 0 17 105,-1.9 25,-0.2 -2,-0.3 3,-0.1 -0.637 46.8 -92.1-130.7-166.1 50.1 37.4 24.4 10 10 A T S S- 0 0 13 23,-2.3 428,-2.8 1,-0.2 2,-0.3 0.597 91.1 -40.9 -94.0 -7.4 47.5 39.2 26.5 11 11 A G E -E 33 0B 2 22,-0.9 22,-2.9 426,-0.2 2,-0.4 -0.968 64.4 -86.8 171.6-173.1 45.5 40.8 23.6 12 12 A I E +E 32 0B 12 424,-0.3 20,-0.2 20,-0.3 3,-0.1 -0.968 27.7 174.8-126.3 134.9 45.9 42.5 20.3 13 13 A R E + 0 0 68 18,-2.7 45,-2.6 -2,-0.4 2,-0.3 0.765 68.3 2.6-107.0 -40.3 46.4 46.2 19.7 14 14 A E E -EF 31 57B 35 17,-2.3 17,-3.4 43,-0.2 2,-0.5 -0.997 51.0-154.2-155.6 142.9 47.0 46.4 16.0 15 15 A I E -EF 30 56B 1 41,-2.9 41,-3.4 -2,-0.3 2,-0.5 -0.980 9.2-171.8-119.5 126.0 47.1 44.4 12.8 16 16 A N E +EF 29 55B 33 13,-3.0 13,-2.3 -2,-0.5 2,-0.3 -0.959 20.7 155.6-114.3 116.4 49.2 45.4 9.7 17 17 A L E -EF 28 54B 4 37,-2.2 37,-2.4 -2,-0.5 2,-0.3 -0.923 27.0-147.2-135.5 169.3 48.7 43.3 6.6 18 18 A S E + F 0 53B 5 9,-1.8 8,-3.5 -2,-0.3 2,-0.3 -0.970 17.6 174.8-139.5 147.6 49.0 43.8 2.9 19 19 A Y E -EF 25 52B 52 33,-1.6 33,-3.7 -2,-0.3 2,-0.4 -0.932 24.5-137.4-144.5 172.5 47.1 42.3 0.0 20 20 A N > - 0 0 34 4,-1.2 3,-0.9 -2,-0.3 78,-0.2 -0.978 18.7-137.5-135.0 123.1 46.7 42.5 -3.8 21 21 A K T 3 S+ 0 0 175 -2,-0.4 4,-0.1 1,-0.3 -1,-0.1 0.593 104.3 44.8 -60.7 -9.2 43.3 42.5 -5.3 22 22 A E T 3 S+ 0 0 158 2,-0.1 -1,-0.3 76,-0.0 60,-0.0 0.725 126.9 15.9-100.0 -31.3 44.4 40.0 -8.0 23 23 A T S < S- 0 0 29 -3,-0.9 75,-0.3 1,-0.3 2,-0.2 0.614 96.2 -85.0-105.9 -95.1 46.3 37.5 -5.9 24 24 A A - 0 0 0 73,-0.1 -4,-1.2 51,-0.0 -1,-0.3 -0.810 57.0 -35.3-159.6-163.7 46.1 37.2 -2.1 25 25 A I E +E 19 0B 0 56,-2.2 99,-2.3 -2,-0.2 -6,-0.3 -0.528 50.8 171.7 -78.0 138.7 47.4 38.3 1.3 26 26 A G E + 0 0 0 -8,-3.5 -1,-0.1 1,-0.3 -7,-0.1 0.591 49.4 31.4-111.1 -99.7 51.0 39.2 1.5 27 27 A D E - 0 0 44 18,-0.1 -9,-1.8 19,-0.1 2,-0.3 -0.265 59.2-170.9 -70.5 149.5 52.7 40.8 4.5 28 28 A F E +EG 17 44B 0 16,-2.3 16,-1.6 -11,-0.2 2,-0.3 -0.963 13.8 155.6-145.8 123.4 51.5 40.1 8.1 29 29 A Q E -E 16 0B 33 -13,-2.3 -13,-3.0 -2,-0.3 2,-0.4 -0.991 18.4-158.5-150.3 138.0 52.5 41.8 11.3 30 30 A V E -E 15 0B 0 12,-0.4 11,-2.8 -2,-0.3 2,-0.7 -0.961 13.8-151.5-122.9 142.3 50.9 42.2 14.7 31 31 A V E -EH 14 40B 21 -17,-3.4 -18,-2.7 -2,-0.4 -17,-2.3 -0.948 32.2-167.5-104.8 108.6 51.2 44.6 17.6 32 32 A Y E -EH 12 39B 0 7,-2.8 7,-2.8 -2,-0.7 2,-0.5 -0.455 22.3-116.2 -91.3 171.1 50.2 42.6 20.6 33 33 A D E -EH 11 38B 3 -22,-2.9 -23,-2.3 5,-0.2 -22,-0.9 -0.923 24.9-168.4-105.2 136.0 49.4 43.7 24.1 34 34 A L E > S- H 0 37B 11 3,-3.5 3,-1.3 -2,-0.5 275,-0.0 -0.862 70.6 -43.6-124.9 90.9 51.8 42.3 26.7 35 35 A N T 3 S- 0 0 52 -2,-0.5 270,-0.1 1,-0.3 402,-0.0 0.902 125.2 -33.7 57.8 49.2 50.5 42.9 30.2 36 36 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 271,-0.0 271,-0.0 0.283 125.3 85.8 91.3 -8.0 49.4 46.5 29.5 37 37 A S E < S-H 34 0B 73 -3,-1.3 -3,-3.5 0, 0.0 -1,-0.2 -0.936 82.0-103.6-126.3 147.1 52.2 47.5 27.0 38 38 A P E -H 33 0B 76 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.346 27.4-161.5 -60.6 145.0 52.4 47.0 23.3 39 39 A Y E -H 32 0B 85 -7,-2.8 -7,-2.8 -2,-0.0 2,-0.7 -0.986 15.1-138.7-129.7 115.4 54.7 44.3 22.1 40 40 A V E -H 31 0B 95 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.705 18.9-142.4 -79.4 111.2 55.7 44.7 18.4 41 41 A G - 0 0 4 -11,-2.8 3,-0.1 -2,-0.7 -1,-0.0 -0.299 30.4 -88.8 -71.9 158.4 55.6 41.3 16.7 42 42 A Q - 0 0 121 1,-0.1 -12,-0.4 -13,-0.1 2,-0.2 -0.297 46.2-108.8 -61.6 140.9 58.2 40.4 14.1 43 43 A N - 0 0 86 -14,-0.1 2,-0.6 -3,-0.1 -14,-0.2 -0.580 26.3-157.7 -75.5 133.5 57.3 41.5 10.6 44 44 A H B -G 28 0B 9 -16,-1.6 -16,-2.3 -2,-0.2 2,-0.2 -0.905 20.6-167.8-117.8 95.0 56.4 38.5 8.4 45 45 A S - 0 0 67 -2,-0.6 75,-0.1 -18,-0.2 2,-0.1 -0.591 21.9-113.8 -93.3 150.2 56.9 39.7 4.8 46 46 A S - 0 0 11 -2,-0.2 76,-0.2 2,-0.2 77,-0.1 -0.420 28.7-118.9 -66.8 153.8 56.0 38.2 1.5 47 47 A F S S+ 0 0 120 74,-2.5 2,-0.2 -2,-0.1 75,-0.2 0.632 96.8 38.9 -68.0 -16.3 58.9 37.1 -0.8 48 48 A I S S- 0 0 58 74,-0.4 -2,-0.2 73,-0.3 2,-0.2 -0.682 76.7-130.7-123.7-176.7 57.7 39.6 -3.4 49 49 A S + 0 0 108 -2,-0.2 -1,-0.0 1,-0.1 -2,-0.0 -0.449 60.1 93.1-123.1-170.1 56.2 43.2 -3.5 50 50 A G + 0 0 61 1,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.672 58.4 137.1 92.0 22.4 53.4 45.1 -5.1 51 51 A F - 0 0 27 -3,-0.1 -1,-0.3 -31,-0.1 -31,-0.2 -0.653 55.4-120.3-101.6 159.3 50.8 44.8 -2.2 52 52 A T E -F 19 0B 72 -33,-3.7 -33,-1.6 -2,-0.2 -26,-0.1 -0.854 31.2-135.4 -96.1 113.7 48.5 47.4 -0.7 53 53 A P E -F 18 0B 105 0, 0.0 2,-0.3 0, 0.0 -35,-0.2 -0.263 19.4-169.3 -68.7 145.7 49.2 47.9 3.0 54 54 A V E -F 17 0B 23 -37,-2.4 -37,-2.2 2,-0.0 2,-0.5 -0.995 8.8-156.2-137.1 136.4 46.4 48.1 5.5 55 55 A K E -F 16 0B 133 -2,-0.3 2,-0.7 -39,-0.2 -39,-0.2 -0.976 4.4-167.3-118.0 114.9 46.6 49.2 9.2 56 56 A I E -F 15 0B 2 -41,-3.4 -41,-2.9 -2,-0.5 2,-0.6 -0.923 9.5-170.9-107.6 99.9 43.9 47.9 11.6 57 57 A S E -F 14 0B 70 -2,-0.7 2,-0.3 -43,-0.2 -43,-0.2 -0.867 6.0-157.7 -94.3 111.5 44.2 49.9 14.8 58 58 A L - 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