==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 21-JAN-02 1KU8 . COMPND 2 MOLECULE: JACALIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTOCARPUS INTEGER; . AUTHOR Y.BOURNE,C.H.ASTOUL,V.ZAMBONI,W.J.PEUMANS,L.MENU-BOUAOUICHE, . 596 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24534.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 430 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 . 306 51.3 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 . 78 13.1 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 . 4 4 1 12 3 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 73 0, 0.0 2,-0.5 0, 0.0 120,-0.3 0.000 360.0 360.0 360.0-175.5 8.0 24.1 35.3 2 2 A K E -A 120 0A 161 118,-2.4 118,-2.6 43,-0.2 2,-0.1 -0.779 360.0-134.4 -92.0 127.1 10.6 22.5 33.0 3 3 A A E -A 119 0A 67 -2,-0.5 2,-0.3 116,-0.3 116,-0.3 -0.404 24.2-177.5 -79.8 153.6 9.1 20.3 30.2 4 4 A F E -A 118 0A 24 114,-2.7 114,-2.9 -2,-0.1 2,-0.3 -0.982 17.1-171.6-146.9 160.1 10.5 16.9 29.3 5 5 A D E -A 117 0A 86 -2,-0.3 112,-0.2 112,-0.3 -2,-0.0 -0.798 2.9-175.6-154.8 100.2 9.8 14.2 26.7 6 6 A D - 0 0 20 110,-2.2 2,-0.2 -2,-0.3 111,-0.2 0.862 38.5-143.1 -67.5 -35.6 11.6 10.9 27.1 7 7 A G - 0 0 2 109,-0.7 109,-0.4 333,-0.0 2,-0.3 -0.577 29.6 -45.3 102.9-167.0 10.2 9.6 23.9 8 8 A A + 0 0 10 -2,-0.2 107,-0.2 107,-0.2 2,-0.2 -0.851 57.0 162.3-109.4 144.5 9.0 6.0 22.9 9 9 A F - 0 0 13 105,-2.2 25,-0.2 -2,-0.3 3,-0.1 -0.491 50.3 -84.3-137.7-161.4 10.7 2.7 23.6 10 10 A T S S- 0 0 10 23,-2.5 433,-2.4 1,-0.2 2,-0.3 0.628 90.1 -50.1 -92.0 -17.5 10.2 -1.1 23.8 11 11 A G E -E 33 0B 2 22,-1.0 22,-2.2 103,-0.2 2,-0.4 -0.979 60.6 -76.7 169.9-168.7 8.9 -1.3 27.4 12 12 A I E +E 32 0B 13 20,-0.3 20,-0.2 429,-0.3 3,-0.1 -0.985 29.1 169.4-128.3 131.8 9.5 -0.3 31.1 13 13 A R E - 0 0 68 18,-2.7 45,-1.5 -2,-0.4 2,-0.3 0.756 68.5 -2.8-107.3 -35.0 12.0 -1.8 33.6 14 14 A E E -EF 31 57B 42 17,-1.9 17,-2.7 43,-0.2 2,-0.4 -0.991 48.9-152.4-161.0 146.5 11.9 0.6 36.5 15 15 A I E -EF 30 56B 1 41,-2.2 41,-2.9 -2,-0.3 2,-0.6 -0.989 9.1-170.1-123.4 129.6 10.4 3.9 37.8 16 16 A N E +EF 29 55B 32 13,-2.6 13,-1.3 -2,-0.4 2,-0.3 -0.949 23.0 154.4-120.4 108.5 12.2 6.1 40.3 17 17 A L E -EF 28 54B 4 37,-1.5 37,-2.4 -2,-0.6 2,-0.3 -0.849 30.1-142.9-128.4 163.8 10.0 8.9 41.7 18 18 A S E - F 0 53B 5 9,-1.9 8,-2.7 -2,-0.3 2,-0.3 -0.943 19.2-177.9-126.9 152.0 9.8 11.0 44.9 19 19 A Y E -EF 25 52B 36 33,-1.9 33,-3.6 -2,-0.3 2,-0.4 -0.933 22.0-139.1-143.0 167.1 6.8 12.2 46.7 20 20 A N - 0 0 43 4,-1.1 3,-0.3 -2,-0.3 31,-0.1 -0.999 16.4-141.0-129.3 129.6 5.8 14.3 49.8 21 21 A K S S+ 0 0 157 -2,-0.4 4,-0.1 1,-0.2 30,-0.0 0.430 101.8 41.0 -73.9 1.6 2.8 13.1 52.0 22 22 A E S S+ 0 0 166 2,-0.1 -1,-0.2 76,-0.1 76,-0.0 0.557 127.4 16.7-119.9 -17.4 1.6 16.6 52.4 23 23 A T S S- 0 0 36 -3,-0.3 2,-0.3 1,-0.2 75,-0.2 0.632 97.1 -75.5-118.8 -85.1 2.0 18.2 49.0 24 24 A A - 0 0 0 73,-0.1 -4,-1.1 75,-0.0 -1,-0.2 -0.905 55.8 -43.8-164.7-170.3 2.5 16.3 45.7 25 25 A I E +E 19 0B 0 56,-1.8 99,-2.1 -2,-0.3 -6,-0.2 -0.530 50.5 173.0 -74.9 141.6 4.8 14.2 43.4 26 26 A G E + 0 0 0 -8,-2.7 -1,-0.1 1,-0.3 -7,-0.1 0.476 48.8 27.7-112.8-107.7 8.3 15.6 42.9 27 27 A D E - 0 0 26 19,-0.1 -9,-1.9 18,-0.1 -1,-0.3 -0.206 60.8-170.1 -61.4 149.0 11.1 13.9 41.0 28 28 A F E +EG 17 44B 5 16,-2.5 16,-2.6 -11,-0.2 2,-0.3 -0.973 13.8 155.8-146.5 129.2 10.4 11.5 38.1 29 29 A Q E -E 16 0B 18 -13,-1.3 -13,-2.6 -2,-0.3 2,-0.4 -0.992 17.5-159.3-150.3 151.1 12.8 9.1 36.2 30 30 A V E -E 15 0B 0 12,-0.4 11,-2.1 -2,-0.3 2,-0.7 -0.996 16.1-151.5-141.6 137.9 12.4 5.9 34.2 31 31 A V E -EH 14 40B 19 -17,-2.7 -18,-2.7 -2,-0.4 -17,-1.9 -0.926 32.9-171.7-101.6 108.8 14.6 3.0 33.1 32 32 A Y E -EH 12 39B 0 7,-2.5 7,-2.4 -2,-0.7 2,-0.5 -0.356 24.8-112.7 -90.0 178.4 13.0 1.8 29.9 33 33 A D E -EH 11 38B 2 -22,-2.2 -23,-2.5 5,-0.2 -22,-1.0 -0.946 25.7-169.8-108.6 136.6 13.7 -1.3 27.8 34 34 A L E > S- H 0 37B 14 3,-2.8 3,-1.9 -2,-0.5 279,-0.0 -0.887 73.0 -43.4-127.2 99.5 15.2 -0.5 24.3 35 35 A N T 3 S- 0 0 56 -2,-0.5 274,-0.1 1,-0.3 407,-0.0 0.832 124.5 -37.2 47.0 41.5 15.2 -3.7 22.3 36 36 A G T 3 S+ 0 0 48 1,-0.3 -1,-0.3 275,-0.0 275,-0.0 0.263 120.8 95.3 101.2 -14.5 16.5 -5.8 25.2 37 37 A S E < S-H 34 0B 72 -3,-1.9 -3,-2.8 1,-0.0 -1,-0.3 -0.879 80.0-107.7-111.1 144.2 18.9 -3.3 26.9 38 38 A P E -H 33 0B 80 0, 0.0 2,-0.6 0, 0.0 -5,-0.2 -0.474 28.0-156.0 -68.3 139.6 18.0 -1.0 29.8 39 39 A Y E -H 32 0B 87 -7,-2.4 -7,-2.5 -2,-0.1 2,-1.0 -0.969 9.8-146.0-117.8 108.6 17.8 2.6 28.6 40 40 A V E -H 31 0B 95 -2,-0.6 -9,-0.2 -9,-0.2 3,-0.1 -0.671 15.4-150.1 -83.0 105.3 18.4 4.9 31.6 41 41 A G - 0 0 4 -11,-2.1 2,-0.1 -2,-1.0 -35,-0.0 -0.260 26.8 -92.8 -68.2 159.4 16.2 7.9 31.2 42 42 A Q - 0 0 152 1,-0.1 2,-0.6 -13,-0.1 -12,-0.4 -0.407 40.1-109.2 -71.5 151.3 17.3 11.3 32.6 43 43 A N - 0 0 81 -14,-0.1 2,-0.8 -2,-0.1 -14,-0.2 -0.707 25.0-150.3 -83.3 120.5 16.1 12.2 36.1 44 44 A H B -G 28 0B 31 -16,-2.6 -16,-2.5 -2,-0.6 2,-0.3 -0.851 24.6-152.8 -94.3 113.5 13.5 15.0 35.9 45 45 A K - 0 0 115 -2,-0.8 -43,-0.2 -18,-0.2 75,-0.1 -0.691 13.1-123.6 -99.9 140.5 14.0 17.0 39.1 46 46 A S - 0 0 13 -2,-0.3 76,-0.3 2,-0.1 77,-0.1 -0.341 25.4-124.5 -67.3 156.6 11.8 19.1 41.3 47 47 A F S S+ 0 0 122 74,-2.1 2,-0.3 2,-0.1 75,-0.2 0.540 91.6 50.0 -77.5 -10.2 13.0 22.7 42.0 48 48 A I S S- 0 0 59 74,-0.4 3,-0.2 73,-0.3 -2,-0.1 -0.810 76.0-125.4-127.8 170.1 12.8 22.0 45.8 49 49 A T + 0 0 131 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.1 -0.287 66.1 79.9-102.5-174.0 13.9 19.4 48.4 50 50 A G + 0 0 59 1,-0.3 2,-0.1 -2,-0.1 -1,-0.1 0.513 57.7 135.9 94.9 5.8 12.1 17.3 51.0 51 51 A F - 0 0 30 -3,-0.2 -1,-0.3 -31,-0.1 -31,-0.2 -0.485 51.9-125.7 -87.5 159.5 10.7 14.4 49.0 52 52 A T E -F 19 0B 65 -33,-3.6 -33,-1.9 -2,-0.1 2,-0.2 -0.895 27.2-137.0-102.3 122.2 10.7 10.7 49.8 53 53 A P E -F 18 0B 106 0, 0.0 2,-0.3 0, 0.0 -35,-0.2 -0.533 20.1-174.5 -83.2 148.6 12.2 8.5 47.1 54 54 A V E -F 17 0B 33 -37,-2.4 -37,-1.5 -2,-0.2 2,-0.5 -0.996 14.1-149.2-138.5 140.8 10.7 5.2 46.0 55 55 A K E -F 16 0B 117 -2,-0.3 2,-0.8 -39,-0.2 -39,-0.2 -0.958 5.7-163.4-112.9 119.8 12.1 2.6 43.5 56 56 A I E -F 15 0B 2 -41,-2.9 -41,-2.2 -2,-0.5 2,-0.8 -0.900 11.1-170.4-104.4 101.8 9.5 0.6 41.5 57 57 A S E -F 14 0B 65 -2,-0.8 -43,-0.2 -43,-0.2 2,-0.2 -0.819 5.9-158.6 -99.5 101.7 11.4 -2.4 40.1 58 58 A L - 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