==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 29-JAN-10 3LM1 . COMPND 2 MOLECULE: AGGLUTININ ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MACLURA POMIFERA; . AUTHOR J.HUANG,Z.XU,D.WANG,C.OGATO,T.HIRAMA,K.PALCZEWSKI,S.L.HAZEN, . 1181 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 847 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 . 599 50.7 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 . 153 13.0 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 . 10 5 0 33 0 15 8 8 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 9 15 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 59 0, 0.0 2,-0.5 0, 0.0 120,-0.3 0.000 360.0 360.0 360.0-170.8 30.9 133.1 16.7 2 2 A V E -A 120 0A 51 118,-2.5 118,-2.1 449,-0.1 451,-0.1 -0.847 360.0-133.7 -99.0 124.0 34.1 134.5 15.2 3 3 A T E -A 119 0A 26 -2,-0.5 2,-0.3 116,-0.3 116,-0.3 -0.320 23.1-175.7 -74.6 157.7 35.7 137.4 17.0 4 4 A F E -A 118 0A 11 114,-2.1 114,-2.5 447,-0.1 2,-0.3 -0.965 12.5-169.0-146.5 158.2 37.0 140.5 15.4 5 5 A D E -A 117 0A 84 -2,-0.3 112,-0.2 112,-0.2 -2,-0.0 -0.793 5.8-173.5-154.6 106.9 38.8 143.6 16.6 6 6 A D - 0 0 10 110,-2.5 2,-0.2 -2,-0.3 111,-0.1 0.775 35.5-144.8 -72.6 -26.8 39.2 146.6 14.3 7 7 A G - 0 0 3 109,-0.5 2,-0.3 328,-0.0 109,-0.3 -0.499 33.3 -44.8 91.9-166.4 41.4 148.5 16.7 8 8 A A + 0 0 13 -2,-0.2 107,-0.2 107,-0.1 2,-0.2 -0.826 54.4 162.0-111.6 145.7 41.5 152.3 17.2 9 9 A Y - 0 0 21 105,-2.2 25,-0.2 -2,-0.3 3,-0.1 -0.519 51.2 -88.6-136.2-158.8 41.4 155.1 14.7 10 10 A T S S- 0 0 10 23,-2.5 428,-2.6 1,-0.2 2,-0.3 0.437 89.4 -39.5-105.3 3.3 40.7 158.9 14.7 11 11 A G E -E 33 0B 1 22,-0.8 22,-2.1 103,-0.2 2,-0.4 -0.979 63.6 -77.1 164.8-174.8 36.9 158.7 14.0 12 12 A I E +E 32 0B 14 424,-0.3 20,-0.2 -2,-0.3 3,-0.1 -0.968 31.0 165.6-122.4 127.5 34.1 157.2 12.2 13 13 A R E + 0 0 66 18,-2.3 45,-2.7 -2,-0.4 2,-0.3 0.787 70.0 6.2-103.4 -40.0 33.1 157.8 8.5 14 14 A E E -EF 31 57B 38 17,-2.6 17,-3.0 43,-0.2 2,-0.4 -0.999 48.3-164.1-150.7 146.8 30.7 155.0 7.8 15 15 A I E +EF 30 56B 3 41,-2.3 41,-2.8 -2,-0.3 2,-0.4 -0.969 13.3 179.0-132.1 115.5 28.9 152.1 9.4 16 16 A N E +EF 29 55B 30 13,-2.5 13,-3.2 -2,-0.4 2,-0.3 -0.966 14.9 153.8-115.8 130.0 27.4 149.3 7.2 17 17 A F E -EF 28 54B 7 37,-2.0 37,-1.9 -2,-0.4 2,-0.3 -0.981 34.1-120.5-152.1 163.6 25.6 146.4 8.8 18 18 A E E + F 0 53B 52 9,-2.5 8,-2.3 -2,-0.3 2,-0.3 -0.691 26.1 175.2-105.6 159.4 22.9 143.8 8.2 19 19 A Y E -EF 25 52B 43 33,-1.1 33,-3.0 6,-0.3 2,-0.4 -0.979 19.8-147.8-157.5 156.4 19.7 143.1 10.1 20 20 A N > - 0 0 42 4,-0.8 3,-1.0 -2,-0.3 78,-0.3 -0.983 16.6-140.3-134.3 120.2 16.7 140.8 9.8 21 21 A S T 3 S+ 0 0 73 -2,-0.4 4,-0.1 1,-0.3 -1,-0.0 0.540 104.3 40.1 -56.3 -8.4 13.3 142.0 11.0 22 22 A E T 3 S+ 0 0 163 2,-0.1 -1,-0.3 76,-0.1 60,-0.0 0.580 128.6 16.9-116.0 -17.3 12.6 138.5 12.4 23 23 A T S < S- 0 0 31 -3,-1.0 2,-0.3 1,-0.2 75,-0.2 0.526 96.7 -80.9-118.2 -94.0 15.9 137.5 13.9 24 24 A A - 0 0 0 73,-0.1 -4,-0.8 98,-0.1 58,-0.3 -0.885 55.0 -41.3-162.4-169.6 18.8 139.9 14.7 25 25 A I E -E 19 0B 1 56,-2.4 99,-2.3 -2,-0.3 -6,-0.3 -0.457 52.5-174.2 -70.8 140.7 21.8 141.9 13.5 26 26 A G E - 0 0 0 -8,-2.3 -1,-0.1 1,-0.3 97,-0.1 0.275 42.8 -4.6-106.4-129.0 24.1 140.2 11.1 27 27 A G E - 0 0 2 95,-0.1 -9,-2.5 -10,-0.1 -1,-0.3 -0.122 58.6-155.9 -65.8 166.2 27.4 141.2 9.5 28 28 A L E -EG 17 44B 14 16,-2.6 16,-2.9 -11,-0.2 2,-0.4 -0.999 14.1-179.2-148.5 140.5 29.1 144.5 10.1 29 29 A R E -E 16 0B 88 -13,-3.2 -13,-2.5 -2,-0.3 2,-0.4 -0.947 11.5-164.5-144.3 119.6 31.7 146.6 8.2 30 30 A V E -E 15 0B 0 12,-0.5 11,-2.4 -2,-0.4 2,-0.6 -0.849 10.4-156.8-110.3 139.6 33.0 149.9 9.5 31 31 A T E -EH 14 40B 19 -17,-3.0 -17,-2.6 -2,-0.4 -18,-2.3 -0.965 23.2-165.7-111.9 120.3 34.9 152.6 7.6 32 32 A Y E -EH 12 39B 0 7,-2.7 7,-2.5 -2,-0.6 2,-0.5 -0.497 22.5-115.9-100.8 168.2 37.0 154.7 10.0 33 33 A D E -EH 11 38B 2 -22,-2.1 -23,-2.5 5,-0.2 -22,-0.8 -0.913 27.4-171.1-101.9 133.5 38.7 158.0 9.7 34 34 A L E > - H 0 37B 13 3,-3.7 3,-1.4 -2,-0.5 274,-0.0 -0.889 69.8 -39.1-128.1 96.9 42.5 157.7 10.0 35 35 A N T 3 S- 0 0 50 -2,-0.5 269,-0.1 1,-0.3 402,-0.0 0.837 124.5 -38.2 57.1 40.6 44.1 161.1 10.2 36 36 A G T 3 S+ 0 0 38 1,-0.3 -1,-0.3 270,-0.0 270,-0.0 0.335 126.3 82.8 96.5 -10.4 41.9 162.8 7.6 37 37 A M E < S-H 34 0B 137 -3,-1.4 -3,-3.7 2,-0.0 -1,-0.3 -0.909 81.7-100.8-126.1 155.3 41.6 159.9 5.2 38 38 A P E -H 33 0B 72 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.374 23.5-165.0 -74.3 153.4 39.3 156.9 5.2 39 39 A F E -H 32 0B 62 -7,-2.5 -7,-2.7 -2,-0.1 2,-0.7 -0.863 11.1-151.8-139.5 100.7 40.3 153.4 6.4 40 40 A V E -H 31 0B 82 -2,-0.4 -9,-0.2 -9,-0.3 3,-0.1 -0.636 19.1-149.3 -74.4 113.2 37.9 150.7 5.3 41 41 A A - 0 0 4 -11,-2.4 -35,-0.1 -2,-0.7 3,-0.0 -0.292 32.5 -71.7 -79.4 170.8 38.1 148.0 8.0 42 42 A E - 0 0 126 1,-0.1 2,-0.5 -13,-0.1 -12,-0.5 -0.246 49.5-110.5 -61.8 146.1 37.6 144.3 7.3 43 43 A D - 0 0 63 -14,-0.1 2,-1.0 -3,-0.1 -14,-0.2 -0.689 24.6-152.0 -81.2 122.9 34.1 143.1 6.6 44 44 A H B -G 28 0B 11 -16,-2.9 -16,-2.6 -2,-0.5 2,-0.2 -0.811 22.7-158.2-101.9 98.2 32.8 141.0 9.5 45 45 A K - 0 0 150 -2,-1.0 2,-0.1 -18,-0.2 75,-0.1 -0.431 14.4-122.5 -83.3 147.5 30.4 138.6 7.9 46 46 A S - 0 0 15 2,-0.2 76,-0.3 -2,-0.2 77,-0.1 -0.407 26.6-119.8 -75.6 160.9 27.5 136.6 9.3 47 47 A F S S+ 0 0 95 74,-1.9 2,-0.2 -2,-0.1 75,-0.2 0.692 95.1 38.6 -74.9 -20.7 27.6 132.8 8.8 48 48 A I S S- 0 0 52 74,-0.4 -2,-0.2 73,-0.3 2,-0.2 -0.658 73.0-134.8-122.9 179.6 24.3 133.1 6.9 49 49 A T + 0 0 126 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.1 -0.443 59.9 95.0-120.0-167.0 22.5 135.3 4.4 50 50 A G + 0 0 59 1,-0.3 2,-0.1 -2,-0.2 -1,-0.1 0.631 60.4 135.9 92.1 16.7 19.0 136.7 4.0 51 51 A F - 0 0 24 -3,-0.1 -1,-0.3 -31,-0.1 -31,-0.2 -0.473 54.7-124.2 -95.3 166.2 19.7 140.1 5.7 52 52 A K E -F 19 0B 119 -33,-3.0 -33,-1.1 -2,-0.1 2,-0.2 -0.934 29.9-138.0-107.8 121.8 18.7 143.7 4.8 53 53 A P E -F 18 0B 94 0, 0.0 2,-0.4 0, 0.0 -35,-0.2 -0.574 16.7-169.3 -83.9 151.9 21.7 146.0 4.5 54 54 A V E -F 17 0B 16 -37,-1.9 -37,-2.0 -2,-0.2 2,-0.5 -0.999 4.9-160.1-136.4 131.6 21.9 149.5 5.9 55 55 A K E -F 16 0B 152 -2,-0.4 2,-0.7 -39,-0.2 -39,-0.2 -0.957 2.2-165.8-119.3 115.2 24.6 152.0 5.1 56 56 A I E -F 15 0B 6 -41,-2.8 -41,-2.3 -2,-0.5 2,-0.6 -0.885 5.3-171.9-103.1 114.1 25.2 155.0 7.4 57 57 A S E -F 14 0B 73 -2,-0.7 2,-0.3 -43,-0.2 -43,-0.2 -0.928 11.1-152.0-106.4 123.2 27.4 157.7 5.9 58 58 A L - 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