==== 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 22-FEB-12 4AKC . 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 . 593 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 71.2 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 51.6 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 . 68 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 2 10 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 77 0, 0.0 2,-0.5 0, 0.0 120,-0.3 0.000 360.0 360.0 360.0-152.9 -16.4 -1.9 25.3 2 2 A K E -A 120 0A 143 118,-3.3 118,-2.3 119,-0.0 123,-0.1 -0.836 360.0-135.0 -96.2 127.4 -13.7 -1.9 22.7 3 3 A A E -A 119 0A 48 -2,-0.5 2,-0.3 116,-0.3 116,-0.3 -0.421 22.7-173.5 -75.5 148.7 -11.6 1.3 22.3 4 4 A F E -A 118 0A 22 114,-2.5 114,-2.3 -2,-0.1 2,-0.2 -0.939 13.1-171.8-141.4 160.2 -10.8 2.8 18.9 5 5 A D E -A 117 0A 92 -2,-0.3 112,-0.2 112,-0.2 -2,-0.0 -0.785 8.0-177.1-159.0 103.7 -8.5 5.6 17.7 6 6 A D - 0 0 17 110,-2.2 111,-0.2 -2,-0.2 2,-0.1 0.737 38.2-146.1 -74.8 -24.5 -8.6 6.8 14.1 7 7 A G - 0 0 4 109,-0.5 109,-0.3 180,-0.0 2,-0.3 -0.407 35.1 -35.3 86.1-166.3 -5.8 9.3 14.8 8 8 A A + 0 0 17 107,-0.1 107,-0.2 -2,-0.1 2,-0.2 -0.695 57.9 167.8 -99.5 142.0 -5.4 12.8 13.1 9 9 A F - 0 0 16 105,-1.9 25,-0.2 -2,-0.3 3,-0.1 -0.525 47.4 -94.6-134.4-164.3 -6.3 13.8 9.6 10 10 A T S S- 0 0 11 23,-2.6 280,-3.2 1,-0.3 2,-0.3 0.548 87.5 -53.2 -98.7 -13.4 -6.7 17.0 7.4 11 11 A G E -E 33 0B 1 22,-0.9 22,-2.0 103,-0.3 2,-0.4 -0.978 61.6 -70.1 166.1-166.7 -10.5 17.4 7.9 12 12 A I E +E 32 0B 12 276,-0.4 20,-0.2 -2,-0.3 3,-0.1 -0.973 32.0 166.2-122.9 125.9 -13.9 15.7 7.7 13 13 A R E S- 0 0 65 18,-2.4 45,-2.8 -2,-0.4 2,-0.3 0.769 71.4 -0.8-104.5 -31.1 -15.8 14.7 4.5 14 14 A E E -EF 31 57B 37 17,-2.3 17,-2.6 43,-0.2 2,-0.4 -0.993 50.7-150.7-158.8 146.8 -18.5 12.4 5.9 15 15 A I E -EF 30 56B 0 41,-2.5 41,-3.3 -2,-0.3 2,-0.5 -0.992 13.5-172.5-122.1 121.0 -19.9 11.0 9.2 16 16 A N E +EF 29 55B 34 13,-3.4 13,-2.9 -2,-0.4 2,-0.3 -0.972 22.6 149.1-111.3 122.1 -21.7 7.6 9.1 17 17 A L E -EF 28 54B 4 37,-2.1 37,-2.5 -2,-0.5 2,-0.3 -0.923 31.8-141.8-143.9 172.4 -23.3 6.5 12.4 18 18 A S E - F 0 53B 4 9,-1.9 8,-3.0 -2,-0.3 2,-0.3 -0.973 17.4-178.3-140.6 150.0 -26.3 4.6 13.7 19 19 A Y E -EF 25 52B 52 33,-1.7 33,-3.3 -2,-0.3 2,-0.4 -0.948 21.8-137.6-143.4 164.2 -28.6 5.1 16.7 20 20 A N - 0 0 47 4,-1.9 3,-0.3 -2,-0.3 31,-0.1 -0.994 16.5-140.8-126.4 131.7 -31.6 3.6 18.5 21 21 A K S S+ 0 0 139 -2,-0.4 4,-0.1 1,-0.2 -1,-0.0 0.556 104.5 39.4 -67.4 -12.0 -34.5 5.8 19.7 22 22 A E S S+ 0 0 141 2,-0.1 -1,-0.2 76,-0.1 76,-0.0 0.544 128.9 20.1-110.4 -19.9 -34.8 3.9 23.0 23 23 A T S S- 0 0 30 -3,-0.3 2,-0.2 1,-0.3 75,-0.2 0.602 95.7 -82.6-113.8 -96.4 -31.0 3.3 23.8 24 24 A A - 0 0 0 73,-0.1 -4,-1.9 48,-0.0 -1,-0.3 -0.793 57.8 -41.6-159.5-164.5 -28.0 5.2 22.4 25 25 A I E +E 19 0B 0 56,-2.0 99,-2.5 99,-0.2 -6,-0.3 -0.606 49.9 179.0 -79.4 138.8 -25.5 5.6 19.5 26 26 A G E + 0 0 0 -8,-3.0 -1,-0.2 1,-0.4 2,-0.1 0.699 53.8 25.3-104.7 -89.8 -24.3 2.3 18.1 27 27 A D E - 0 0 41 18,-0.1 -9,-1.9 19,-0.1 -1,-0.4 -0.489 60.1-167.2 -84.2 150.5 -21.9 2.3 15.1 28 28 A F E +EG 17 44B 4 16,-2.8 16,-2.5 -11,-0.2 2,-0.3 -0.973 13.3 162.3-143.5 123.1 -19.5 5.2 14.3 29 29 A Q E -E 16 0B 16 -13,-2.9 -13,-3.4 -2,-0.3 2,-0.4 -0.999 16.7-158.4-144.4 135.5 -17.5 5.7 11.1 30 30 A V E -E 15 0B 0 12,-0.5 11,-2.4 -2,-0.3 2,-0.7 -0.966 12.6-153.5-121.4 133.5 -15.7 8.8 9.5 31 31 A V E -EH 14 40B 17 -17,-2.6 -18,-2.4 -2,-0.4 -17,-2.3 -0.955 35.4-165.5 -97.9 106.9 -14.7 9.5 5.9 32 32 A Y E -EH 12 39B 0 7,-3.3 7,-3.2 -2,-0.7 2,-0.5 -0.460 21.6-117.0 -88.8 167.4 -11.8 11.8 6.5 33 33 A D E -EH 11 38B 0 -22,-2.0 -23,-2.6 5,-0.2 -22,-0.9 -0.908 25.5-170.8-101.6 136.9 -9.9 14.2 4.3 34 34 A L S S- 0 0 10 3,-2.9 3,-0.3 -2,-0.5 126,-0.0 -0.897 72.3 -39.5-128.9 98.6 -6.2 13.3 3.9 35 35 A N S S- 0 0 48 -2,-0.4 121,-0.1 1,-0.2 254,-0.0 0.846 126.1 -36.6 51.7 46.8 -4.4 16.1 2.1 36 36 A G S S+ 0 0 47 1,-0.2 -1,-0.2 122,-0.0 -3,-0.0 0.664 124.0 92.2 83.2 22.1 -7.2 16.8 -0.4 37 37 A S S S- 0 0 71 -3,-0.3 -3,-2.9 2,-0.0 -1,-0.2 -0.997 81.2-102.3-142.9 141.2 -8.4 13.2 -0.8 38 38 A P E -H 33 0B 81 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.379 29.7-163.8 -65.2 139.1 -11.1 11.1 1.0 39 39 A Y E -H 32 0B 88 -7,-3.2 -7,-3.3 -2,-0.0 2,-0.7 -0.967 15.2-139.4-124.7 110.2 -9.7 8.7 3.6 40 40 A V E -H 31 0B 110 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.1 -0.639 20.8-148.3 -71.4 110.1 -12.2 6.0 4.6 41 41 A G - 0 0 7 -11,-2.4 -35,-0.0 -2,-0.7 -1,-0.0 -0.338 29.5 -86.4 -73.4 158.5 -11.8 5.5 8.4 42 42 A E - 0 0 150 1,-0.1 2,-0.6 -13,-0.1 -12,-0.5 -0.311 42.6-112.2 -66.7 151.0 -12.5 2.1 10.0 43 43 A N - 0 0 67 -14,-0.1 2,-0.6 -3,-0.1 -14,-0.2 -0.811 23.9-151.7 -90.0 115.8 -16.1 1.3 11.0 44 44 A H B -G 28 0B 16 -16,-2.5 -16,-2.8 -2,-0.6 2,-0.4 -0.842 24.2-160.1 -90.8 116.0 -16.5 1.1 14.7 45 45 A K - 0 0 130 -2,-0.6 -18,-0.1 -18,-0.2 75,-0.1 -0.862 18.4-120.1-109.3 143.1 -19.3 -1.3 15.4 46 46 A S - 0 0 15 -2,-0.4 76,-0.2 2,-0.1 77,-0.1 -0.342 23.6-128.4 -67.0 153.3 -21.7 -2.1 18.1 47 47 A F S S+ 0 0 152 74,-2.1 2,-0.2 76,-0.1 75,-0.2 0.546 95.4 47.3 -79.3 -12.0 -21.6 -5.7 19.5 48 48 A I S S- 0 0 72 74,-0.4 2,-0.2 73,-0.3 -2,-0.1 -0.681 78.7-135.4-120.0 177.5 -25.4 -5.8 19.0 49 49 A T + 0 0 133 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.0 -0.512 59.4 92.9-121.2-173.8 -27.7 -4.9 16.0 50 50 A G + 0 0 59 1,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.544 55.8 139.8 100.0 14.8 -31.1 -3.0 15.5 51 51 A F - 0 0 29 -3,-0.1 -1,-0.3 -31,-0.1 -31,-0.2 -0.536 52.7-123.8 -92.1 154.5 -29.8 0.6 14.8 52 52 A T E -F 19 0B 70 -33,-3.3 -33,-1.7 -2,-0.2 -26,-0.2 -0.856 31.8-133.7 -93.9 119.3 -31.0 3.2 12.3 53 53 A P E -F 18 0B 109 0, 0.0 2,-0.3 0, 0.0 -35,-0.2 -0.459 20.3-168.6 -78.1 154.1 -28.1 4.3 10.0 54 54 A V E -F 17 0B 24 -37,-2.5 -37,-2.1 -2,-0.1 2,-0.6 -0.991 10.0-157.1-142.4 130.3 -27.4 8.0 9.2 55 55 A K E -F 16 0B 132 -2,-0.3 2,-0.9 -39,-0.2 -39,-0.2 -0.953 3.1-169.6-113.6 110.6 -25.0 9.5 6.5 56 56 A I E -F 15 0B 2 -41,-3.3 -41,-2.5 -2,-0.6 2,-0.5 -0.862 14.5-172.0 -97.2 90.6 -23.8 13.1 7.2 57 57 A S E -F 14 0B 75 -2,-0.9 2,-0.3 -43,-0.2 -43,-0.2 -0.816 10.1-152.3 -87.5 121.9 -22.3 13.9 3.8 58 58 A L - 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