==== 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 22-JAN-02 1KUJ . 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, . 594 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23948.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 72.9 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 . 306 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 . 77 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 70 0, 0.0 2,-0.6 0, 0.0 120,-0.3 0.000 360.0 360.0 360.0-159.7 8.2 24.6 34.1 2 2 A K E -A 120 0A 136 118,-3.3 118,-2.1 43,-0.2 2,-0.1 -0.795 360.0-135.7 -91.9 119.1 10.7 22.8 31.8 3 3 A A E -A 119 0A 70 -2,-0.6 2,-0.3 116,-0.3 116,-0.3 -0.450 24.6-172.1 -71.9 143.8 9.0 20.6 29.2 4 4 A F E -A 118 0A 19 114,-2.9 114,-2.9 -2,-0.1 2,-0.3 -0.972 16.9-175.8-136.6 155.9 10.3 17.1 28.6 5 5 A D E -A 117 0A 87 -2,-0.3 112,-0.2 112,-0.3 -2,-0.0 -0.803 5.8-176.5-153.0 101.3 9.7 14.3 26.1 6 6 A D - 0 0 18 110,-2.2 2,-0.2 -2,-0.3 111,-0.2 0.882 37.1-143.7 -68.2 -34.6 11.4 11.0 26.5 7 7 A G - 0 0 2 109,-0.7 2,-0.3 332,-0.0 109,-0.3 -0.626 34.8 -43.7 99.9-167.4 9.9 9.6 23.2 8 8 A A + 0 0 12 -2,-0.2 107,-0.2 107,-0.1 2,-0.2 -0.782 56.7 171.1-105.4 148.2 8.8 6.0 22.6 9 9 A F - 0 0 14 105,-2.3 25,-0.2 -2,-0.3 3,-0.1 -0.542 46.6 -93.6-133.7-161.6 10.6 2.8 23.6 10 10 A T S S- 0 0 11 23,-3.2 431,-2.9 1,-0.3 2,-0.3 0.610 89.2 -48.9 -97.1 -15.6 10.1 -1.0 23.8 11 11 A G E -E 33 0B 1 22,-1.0 22,-2.3 103,-0.2 2,-0.4 -0.984 60.6 -76.0 169.5-171.3 8.9 -1.0 27.3 12 12 A I E +E 32 0B 13 427,-0.3 20,-0.2 -2,-0.3 3,-0.1 -0.982 29.3 167.1-127.2 128.3 9.4 -0.0 31.0 13 13 A R E S- 0 0 65 18,-2.3 45,-1.8 -2,-0.4 2,-0.3 0.794 70.4 -1.1-104.9 -40.0 11.9 -1.4 33.5 14 14 A E E -EF 31 57B 42 17,-1.9 17,-2.7 43,-0.2 2,-0.4 -0.998 50.9-154.1-155.0 146.9 11.8 1.1 36.3 15 15 A I E -EF 30 56B 0 41,-2.5 41,-2.7 -2,-0.3 2,-0.6 -0.990 9.2-169.8-122.6 127.8 10.2 4.4 37.3 16 16 A N E +EF 29 55B 35 13,-2.8 13,-1.0 -2,-0.4 2,-0.3 -0.935 22.6 152.7-118.7 108.7 12.0 6.8 39.8 17 17 A L E -EF 28 54B 3 37,-1.7 37,-2.8 -2,-0.6 2,-0.3 -0.806 29.9-144.9-126.5 172.2 9.8 9.7 41.0 18 18 A S E + F 0 53B 4 9,-1.7 8,-3.0 -2,-0.3 2,-0.3 -0.963 19.3 179.4-135.7 151.0 9.6 11.9 44.1 19 19 A Y E -EF 25 52B 51 33,-2.2 33,-2.9 -2,-0.3 2,-0.5 -0.985 23.3-138.0-149.5 162.2 6.5 13.3 45.8 20 20 A N > - 0 0 43 4,-1.7 3,-1.6 -2,-0.3 31,-0.1 -0.974 15.4-142.3-127.8 118.3 5.4 15.5 48.7 21 21 A K T 3 S+ 0 0 137 -2,-0.5 78,-0.1 1,-0.3 -1,-0.1 0.576 102.5 42.7 -51.4 -14.5 2.3 14.4 50.7 22 22 A E T 3 S+ 0 0 150 2,-0.1 -1,-0.3 76,-0.1 76,-0.0 0.588 127.7 18.2-109.2 -14.7 1.2 18.1 51.1 23 23 A T S < S- 0 0 31 -3,-1.6 2,-0.2 1,-0.2 75,-0.2 0.527 97.5 -78.1-119.7 -97.2 1.8 19.3 47.5 24 24 A A - 0 0 0 73,-0.1 -4,-1.7 51,-0.0 58,-0.3 -0.844 56.8 -45.6-158.2-168.2 2.3 17.2 44.4 25 25 A I E +E 19 0B 0 56,-2.2 99,-2.3 -2,-0.2 -6,-0.3 -0.520 50.6 175.4 -74.2 143.0 4.6 15.0 42.3 26 26 A G E + 0 0 0 -8,-3.0 -1,-0.1 1,-0.3 -7,-0.1 0.562 50.7 27.9-112.3 -99.4 8.1 16.4 41.8 27 27 A D E - 0 0 25 18,-0.1 -9,-1.7 19,-0.1 -1,-0.3 -0.281 60.2-172.7 -67.8 154.2 10.9 14.5 40.1 28 28 A F E +EG 17 44B 7 16,-1.8 16,-2.3 -11,-0.2 2,-0.3 -0.954 12.5 156.5-151.8 128.0 10.1 12.0 37.3 29 29 A Q E -E 16 0B 19 -13,-1.0 -13,-2.8 -2,-0.3 2,-0.4 -0.988 17.8-158.9-152.2 149.5 12.6 9.6 35.6 30 30 A V E -E 15 0B 0 12,-0.4 11,-1.9 -2,-0.3 2,-0.8 -0.993 16.4-152.5-140.1 133.7 12.3 6.3 33.7 31 31 A V E -EH 14 40B 20 -17,-2.7 -18,-2.3 -2,-0.4 -17,-1.9 -0.902 35.0-171.0 -99.5 108.6 14.6 3.5 32.8 32 32 A Y E -EH 12 39B 0 7,-2.3 7,-2.7 -2,-0.8 2,-0.5 -0.305 25.2-110.0 -89.4 178.2 12.9 2.1 29.6 33 33 A D E -EH 11 38B 2 -22,-2.3 -23,-3.2 5,-0.2 -22,-1.0 -0.963 26.4-170.3-110.1 130.9 13.7 -1.0 27.6 34 34 A L E > S- H 0 37B 10 3,-2.7 3,-2.0 -2,-0.5 278,-0.0 -0.896 73.3 -44.9-121.8 94.5 15.2 -0.3 24.2 35 35 A N T 3 S- 0 0 53 -2,-0.5 273,-0.1 1,-0.3 405,-0.0 0.842 123.5 -36.2 48.1 46.7 15.2 -3.6 22.3 36 36 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 274,-0.0 274,-0.0 0.206 120.6 98.5 97.9 -17.0 16.4 -5.6 25.3 37 37 A S E < S-H 34 0B 70 -3,-2.0 -3,-2.7 1,-0.0 -1,-0.2 -0.895 78.9-111.9-107.6 137.2 18.8 -3.1 26.8 38 38 A P E -H 33 0B 83 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.347 29.8-153.0 -60.2 141.5 17.9 -0.8 29.8 39 39 A Y E -H 32 0B 83 -7,-2.7 -7,-2.3 2,-0.0 2,-1.0 -0.963 6.4-143.4-120.5 113.1 17.7 2.8 28.6 40 40 A V E -H 31 0B 110 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.1 -0.629 19.0-150.3 -81.3 106.7 18.4 5.3 31.3 41 41 A G - 0 0 4 -11,-1.9 -35,-0.0 -2,-1.0 3,-0.0 -0.395 28.0 -90.2 -73.4 155.7 16.1 8.2 30.6 42 42 A Q - 0 0 121 1,-0.1 2,-0.5 -13,-0.1 -12,-0.4 -0.297 42.7-110.9 -62.9 145.7 17.1 11.7 31.7 43 43 A N - 0 0 72 -14,-0.1 2,-1.0 -3,-0.1 -14,-0.2 -0.695 24.2-150.5 -81.7 124.6 16.1 12.7 35.2 44 44 A H B -G 28 0B 14 -16,-2.3 -16,-1.8 -2,-0.5 2,-0.2 -0.829 24.1-158.0-100.2 99.2 13.4 15.4 35.0 45 45 A K - 0 0 114 -2,-1.0 -43,-0.2 -18,-0.2 75,-0.1 -0.528 16.0-123.0 -86.3 139.0 14.0 17.4 38.1 46 46 A S - 0 0 12 -2,-0.2 76,-0.2 2,-0.2 77,-0.1 -0.444 24.6-125.6 -68.1 151.4 11.7 19.7 40.1 47 47 A F S S+ 0 0 125 74,-2.4 2,-0.3 -2,-0.1 75,-0.2 0.583 92.9 53.2 -73.6 -11.6 13.1 23.3 40.6 48 48 A I S S- 0 0 54 73,-0.3 2,-0.2 74,-0.3 -2,-0.2 -0.821 75.0-135.2-123.6 164.0 12.7 22.8 44.4 49 49 A T + 0 0 137 -2,-0.3 -2,-0.0 1,-0.1 -1,-0.0 -0.450 62.7 92.9-105.2-179.9 13.7 20.3 47.0 50 50 A G + 0 0 53 1,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.539 57.8 128.9 108.9 11.8 11.7 18.8 49.8 51 51 A F - 0 0 34 -3,-0.1 -1,-0.3 -31,-0.1 -31,-0.2 -0.565 56.3-125.1-101.5 162.0 10.4 15.5 48.2 52 52 A T E -F 19 0B 75 -33,-2.9 -33,-2.2 -2,-0.2 -26,-0.2 -0.925 32.0-130.9-105.2 123.4 10.3 11.9 49.1 53 53 A P E -F 18 0B 105 0, 0.0 2,-0.4 0, 0.0 -35,-0.2 -0.391 20.8-167.6 -74.1 148.9 11.9 9.6 46.5 54 54 A V E -F 17 0B 19 -37,-2.8 -37,-1.7 -2,-0.1 2,-0.5 -0.996 7.7-159.9-139.7 132.0 10.3 6.4 45.2 55 55 A K E -F 16 0B 126 -2,-0.4 2,-0.6 -39,-0.2 -39,-0.2 -0.964 3.6-170.1-115.7 124.6 11.8 3.6 43.1 56 56 A I E -F 15 0B 1 -41,-2.7 -41,-2.5 -2,-0.5 2,-0.8 -0.903 7.0-173.7-115.8 98.6 9.4 1.3 41.2 57 57 A S E -F 14 0B 66 -2,-0.6 -43,-0.2 -43,-0.2 2,-0.1 -0.814 9.3-158.5 -97.7 102.7 11.4 -1.6 39.8 58 58 A L - 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