==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 21-FEB-12 4AK4 . COMPND 2 MOLECULE: AGGLUTININ ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTOCARPUS INTEGER; . AUTHOR M.GABRIELSEN,P.S.ABDUL-RAHMAN,S.OTHMAN,O.H.HASHIM,R.J.COGDEL . 1191 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49889.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 854 71.7 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 . 618 51.9 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 . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 24 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 8 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 . 148 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 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 . 6 10 2 22 8 16 6 10 0 8 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 8 16 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 77 0, 0.0 2,-0.6 0, 0.0 120,-0.3 0.000 360.0 360.0 360.0 179.9 -2.6 -16.9 28.5 2 2 A K E -A 120 0A 135 118,-3.0 118,-2.0 119,-0.0 2,-0.1 -0.831 360.0-135.3 -92.6 117.8 1.0 -15.8 27.8 3 3 A A E -A 119 0A 70 -2,-0.6 2,-0.3 116,-0.2 116,-0.3 -0.380 24.7-173.3 -69.1 151.5 2.7 -18.3 25.5 4 4 A F E -A 118 0A 17 114,-2.7 114,-2.7 -2,-0.1 2,-0.3 -0.974 15.8-174.7-141.9 156.3 6.3 -19.4 26.4 5 5 A D E -A 117 0A 89 -2,-0.3 112,-0.2 112,-0.3 -2,-0.0 -0.801 6.0-176.7-154.7 105.1 9.0 -21.4 24.7 6 6 A D - 0 0 18 110,-2.3 111,-0.2 -2,-0.3 2,-0.1 0.762 35.9-148.4 -72.3 -27.9 12.3 -22.2 26.5 7 7 A G - 0 0 3 109,-0.6 109,-0.4 180,-0.0 2,-0.3 -0.447 33.3 -37.4 87.4-161.5 13.7 -24.0 23.5 8 8 A V + 0 0 21 107,-0.2 107,-0.2 -2,-0.1 2,-0.2 -0.782 55.0 168.5-112.8 140.4 16.2 -26.9 23.6 9 9 A F - 0 0 14 105,-2.5 25,-0.2 -2,-0.3 3,-0.1 -0.533 48.5 -91.7-132.7-169.6 19.1 -27.6 26.0 10 10 A T S S- 0 0 7 23,-2.4 279,-2.8 1,-0.3 2,-0.3 0.642 90.5 -49.4 -87.6 -20.4 21.6 -30.4 26.9 11 11 A G E -E 33 0B 2 22,-1.1 22,-2.3 103,-0.2 2,-0.4 -0.978 62.5 -74.4 172.0-170.8 19.4 -31.8 29.7 12 12 A I E +E 32 0B 12 275,-0.3 20,-0.2 -2,-0.3 3,-0.1 -0.964 31.4 166.7-122.1 132.7 17.4 -31.0 32.9 13 13 A R E + 0 0 64 18,-2.7 45,-2.6 -2,-0.4 2,-0.3 0.732 69.6 3.5-108.3 -39.0 18.8 -30.1 36.3 14 14 A E E -EF 31 57B 41 17,-2.1 17,-2.6 43,-0.2 2,-0.4 -0.992 51.2-156.6-153.3 146.1 15.8 -28.8 38.3 15 15 A I E -EF 30 56B 1 41,-2.4 41,-3.4 -2,-0.3 2,-0.4 -0.996 10.9-169.7-125.1 123.4 12.0 -28.3 37.8 16 16 A N E +EF 29 55B 21 13,-3.5 13,-2.5 -2,-0.4 2,-0.3 -0.929 21.3 149.9-109.1 135.1 10.2 -25.7 39.9 17 17 A L E -EF 28 54B 2 37,-2.4 37,-2.8 -2,-0.4 2,-0.3 -0.940 27.9-147.7-150.6 173.6 6.4 -25.6 39.8 18 18 A S E -EF 27 53B 12 9,-1.3 8,-2.1 -2,-0.3 9,-0.8 -0.971 15.1-179.9-144.9 159.1 3.4 -24.8 42.0 19 19 A Y E -EF 25 52B 56 33,-1.6 33,-3.5 -2,-0.3 2,-0.4 -0.983 21.2-148.3-152.0 165.9 -0.1 -26.1 42.3 20 20 A N > - 0 0 45 4,-1.1 3,-1.5 -2,-0.3 78,-0.2 -0.987 19.4-140.4-139.2 125.3 -3.4 -25.8 44.1 21 21 A K T 3 S+ 0 0 135 -2,-0.4 77,-0.2 1,-0.3 -1,-0.1 0.799 104.3 51.1 -55.8 -29.9 -5.6 -28.9 44.7 22 22 A E T 3 S+ 0 0 139 2,-0.1 -1,-0.3 -3,-0.1 60,-0.0 0.615 128.7 10.2 -82.0 -17.6 -8.8 -26.9 43.9 23 23 A T S < S- 0 0 29 -3,-1.5 2,-0.2 1,-0.2 75,-0.1 0.292 94.1 -87.6-126.1-106.3 -7.4 -25.6 40.7 24 24 A A - 0 0 0 98,-0.1 -4,-1.1 73,-0.1 58,-0.3 -0.809 59.1 -32.8-159.0-167.1 -4.3 -26.5 38.7 25 25 A I E -E 19 0B 0 56,-2.3 99,-2.1 -2,-0.2 -6,-0.3 -0.531 47.0-179.0 -68.2 131.8 -0.5 -25.9 38.0 26 26 A G E + 0 0 2 -8,-2.1 20,-2.4 1,-0.3 2,-0.3 0.332 59.2 26.3-118.4 0.6 0.4 -22.2 38.8 27 27 A D E -EG 18 45B 26 -9,-0.8 -9,-1.3 18,-0.2 2,-0.3 -0.956 53.0-175.2-160.0 148.1 4.1 -21.9 38.0 28 28 A F E +EG 17 44B 6 16,-2.3 16,-2.3 -2,-0.3 2,-0.3 -0.925 15.0 155.6-151.7 121.5 6.6 -23.6 35.8 29 29 A Q E -E 16 0B 17 -13,-2.5 -13,-3.5 -2,-0.3 2,-0.4 -0.975 18.9-160.0-147.3 134.4 10.3 -22.9 35.7 30 30 A V E -E 15 0B 0 12,-0.4 11,-2.6 -2,-0.3 2,-0.7 -0.942 13.9-152.4-121.9 137.6 13.2 -25.1 34.7 31 31 A V E -EH 14 40B 18 -17,-2.6 -18,-2.7 -2,-0.4 -17,-2.1 -0.937 32.2-166.8 -99.9 111.4 17.0 -25.1 35.4 32 32 A Y E -EH 12 39B 0 7,-2.8 7,-2.5 -2,-0.7 2,-0.5 -0.525 23.3-115.2 -90.7 167.8 18.5 -26.8 32.3 33 33 A D E -EH 11 38B 3 -22,-2.3 -23,-2.4 5,-0.2 -22,-1.1 -0.898 27.6-171.5 -97.9 133.2 21.9 -28.1 31.7 34 34 A L E > S- H 0 37B 8 3,-2.5 3,-1.9 -2,-0.5 126,-0.1 -0.898 72.9 -41.2-127.0 95.1 23.6 -26.1 28.9 35 35 A N T 3 S- 0 0 52 -2,-0.5 121,-0.1 1,-0.3 253,-0.0 0.787 125.1 -38.7 55.2 36.2 26.9 -27.9 28.0 36 36 A G T 3 S+ 0 0 46 1,-0.3 -1,-0.3 122,-0.0 122,-0.0 0.163 122.1 95.0 104.7 -16.9 27.7 -28.6 31.6 37 37 A S E < S-H 34 0B 74 -3,-1.9 -3,-2.5 1,-0.0 -1,-0.3 -0.880 79.4-108.3-109.4 141.3 26.5 -25.4 33.2 38 38 A P E -H 33 0B 83 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.361 29.2-161.4 -64.1 139.0 23.1 -24.7 34.8 39 39 A Y E -H 32 0B 93 -7,-2.5 -7,-2.8 -2,-0.0 2,-0.8 -0.980 13.1-139.7-124.6 112.7 20.9 -22.4 32.6 40 40 A V E -H 31 0B 101 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.1 -0.661 18.6-144.7 -78.5 110.3 18.1 -20.8 34.6 41 41 A G - 0 0 7 -11,-2.6 -35,-0.0 -2,-0.8 -1,-0.0 -0.241 32.9 -83.5 -66.6 160.4 15.0 -20.8 32.4 42 42 A E - 0 0 125 1,-0.1 2,-0.7 -13,-0.1 -12,-0.4 -0.361 47.0-110.7 -63.0 143.1 12.5 -17.8 32.5 43 43 A N - 0 0 70 -14,-0.1 2,-1.0 -3,-0.1 -14,-0.2 -0.746 26.8-157.4 -82.0 113.5 10.0 -18.2 35.4 44 44 A H E -G 28 0B 10 -16,-2.3 -16,-2.3 -2,-0.7 2,-0.3 -0.818 27.0-179.3 -94.4 95.7 6.5 -18.8 33.8 45 45 A K E -G 27 0B 135 -2,-1.0 -18,-0.2 -18,-0.2 75,-0.1 -0.801 28.5-104.4-112.3 148.2 4.3 -17.7 36.6 46 46 A S - 0 0 15 -20,-2.4 76,-0.2 -2,-0.3 77,-0.1 -0.220 23.0-127.1 -59.7 152.9 0.5 -17.5 37.2 47 47 A F S S+ 0 0 133 74,-1.6 2,-0.2 76,-0.1 75,-0.2 0.545 94.6 47.9 -73.9 -10.7 -1.3 -14.1 37.0 48 48 A I S S- 0 0 81 74,-0.4 2,-0.1 73,-0.2 -2,-0.1 -0.698 74.8-127.8-127.6 174.1 -2.6 -15.1 40.6 49 49 A T + 0 0 139 -2,-0.2 -2,-0.0 1,-0.1 -1,-0.0 -0.496 62.3 82.2-119.1-177.7 -1.5 -16.4 44.1 50 50 A G + 0 0 58 1,-0.3 2,-0.2 -2,-0.1 -1,-0.1 0.585 60.2 143.2 93.1 18.4 -2.2 -19.2 46.8 51 51 A F - 0 0 35 -3,-0.1 -1,-0.3 -31,-0.1 -31,-0.2 -0.576 53.5-120.2 -91.4 152.8 -0.2 -22.0 45.2 52 52 A T E -F 19 0B 67 -33,-3.5 -33,-1.6 -2,-0.2 2,-0.2 -0.811 34.6-133.0 -87.6 119.0 1.9 -24.8 46.9 53 53 A P E -F 18 0B 113 0, 0.0 2,-0.4 0, 0.0 -35,-0.2 -0.471 22.5-171.3 -80.6 146.0 5.6 -24.5 45.7 54 54 A V E -F 17 0B 20 -37,-2.8 -37,-2.4 -2,-0.2 2,-0.5 -1.000 9.8-166.6-135.1 134.3 7.6 -27.6 44.6 55 55 A K E -F 16 0B 123 -2,-0.4 2,-0.7 -39,-0.2 -39,-0.2 -0.980 3.8-166.8-122.1 119.6 11.3 -27.9 43.7 56 56 A I E -F 15 0B 1 -41,-3.4 -41,-2.4 -2,-0.5 2,-0.6 -0.919 8.5-169.4-104.7 107.7 12.4 -31.1 42.0 57 57 A S E -F 14 0B 63 -2,-0.7 2,-0.3 -43,-0.2 -43,-0.2 -0.882 9.4-152.5-100.8 117.8 16.2 -31.2 42.1 58 58 A L - 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