==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 26-NOV-99 1DGW . COMPND 2 MOLECULE: CANAVALIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR T.-P.KO,A.MCPHERSON . 346 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18476.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 37.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 38 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 0 1 2 1 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 . 1 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 . 0 4 4 4 2 2 2 4 0 0 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 0 0 1 3 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 46 A N 0 0 197 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-125.3 14.9 19.6 21.4 2 47 A N > - 0 0 38 1,-0.1 3,-0.7 3,-0.1 259,-0.0 -0.939 360.0-168.0-124.8 122.6 14.4 18.4 17.8 3 48 A P T 3 S+ 0 0 34 0, 0.0 29,-0.1 0, 0.0 28,-0.1 0.514 89.2 56.1 -78.6 -5.2 12.7 15.2 16.5 4 49 A Y T 3 S+ 0 0 1 267,-0.0 268,-3.2 270,-0.0 2,-0.4 0.473 90.1 87.9-104.3 -5.4 13.9 15.6 12.9 5 50 A L E < -A 271 0A 21 -3,-0.7 2,-0.4 266,-0.2 266,-0.2 -0.765 50.7-177.0 -97.6 138.2 17.6 15.8 13.7 6 51 A F E -A 270 0A 7 264,-3.3 264,-2.4 -2,-0.4 4,-0.1 -0.870 13.6-153.4-137.2 102.7 19.8 12.8 13.9 7 52 A R > - 0 0 87 -2,-0.4 3,-1.7 262,-0.2 262,-0.1 -0.269 34.5-103.2 -69.4 162.2 23.4 13.4 14.9 8 53 A S G > S+ 0 0 43 1,-0.3 3,-1.0 259,-0.2 -1,-0.1 0.707 118.7 69.8 -60.1 -18.2 26.1 10.9 13.8 9 54 A N G 3 S+ 0 0 125 1,-0.2 -1,-0.3 16,-0.0 -2,-0.1 0.199 82.0 73.3 -86.5 18.8 26.1 9.5 17.3 10 55 A K G < S+ 0 0 56 -3,-1.7 16,-1.8 -4,-0.1 2,-0.5 0.173 74.8 99.5-111.0 11.9 22.6 8.1 16.7 11 56 A F E < -G 25 0B 17 -3,-1.0 14,-0.3 14,-0.2 2,-0.2 -0.888 68.5-142.8-100.5 126.6 24.1 5.4 14.5 12 57 A L E -G 24 0B 90 12,-3.3 12,-2.5 -2,-0.5 2,-0.7 -0.624 18.8-113.7 -88.9 148.3 24.6 2.0 16.3 13 58 A T E +G 23 0B 66 -2,-0.2 10,-0.2 10,-0.2 3,-0.1 -0.720 32.4 174.2 -85.8 115.6 27.7 -0.1 15.6 14 59 A L E S- 0 0 53 8,-2.5 2,-0.3 -2,-0.7 -1,-0.2 0.952 75.4 -17.0 -79.1 -52.9 26.9 -3.4 13.9 15 60 A F E +G 22 0B 27 7,-1.1 7,-2.3 2,-0.0 -1,-0.4 -0.991 60.8 178.6-152.1 147.5 30.5 -4.3 13.4 16 61 A K E +G 21 0B 152 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.696 9.4 163.3-157.8 98.1 33.8 -2.5 13.5 17 62 A N E > -G 20 0B 52 3,-0.8 3,-1.2 -2,-0.2 -2,-0.0 -0.506 59.3 -86.3-106.9-179.2 37.3 -3.9 13.0 18 63 A Q T 3 S+ 0 0 173 1,-0.2 3,-0.1 -2,-0.2 -1,-0.0 0.235 127.6 54.1 -71.9 18.8 40.7 -2.2 12.3 19 64 A H T 3 S- 0 0 41 1,-0.4 30,-2.6 155,-0.1 2,-0.3 0.557 120.5 -48.9-122.9 -22.4 39.7 -2.5 8.6 20 65 A G E < -GH 17 48B 13 -3,-1.2 -3,-0.8 28,-0.3 -1,-0.4 -0.976 48.6-115.2 176.0-164.3 36.3 -0.8 8.6 21 66 A S E -GH 16 47B 27 26,-4.1 26,-3.2 -2,-0.3 2,-0.5 -0.993 2.6-147.6-162.0 156.6 32.8 -0.4 10.0 22 67 A L E -GH 15 46B 5 -7,-2.3 -8,-2.5 -2,-0.3 -7,-1.1 -0.984 23.9-169.4-130.7 116.7 29.0 -0.8 9.4 23 68 A R E -GH 13 45B 61 22,-2.6 22,-2.6 -2,-0.5 2,-0.4 -0.841 7.6-155.9-110.5 147.9 26.8 1.6 11.1 24 69 A L E -GH 12 44B 16 -12,-2.5 -12,-3.3 -2,-0.3 20,-0.2 -0.983 15.1-133.6-125.8 124.4 23.0 1.6 11.5 25 70 A L E -G 11 0B 0 18,-3.7 18,-0.3 -2,-0.4 -14,-0.2 -0.533 33.7-108.5 -74.8 138.5 20.8 4.6 12.0 26 71 A Q - 0 0 37 -16,-1.8 17,-0.2 -2,-0.2 2,-0.2 -0.169 51.8 -73.0 -60.9 163.4 18.2 4.1 14.8 27 72 A R > - 0 0 82 1,-0.1 3,-2.2 2,-0.1 4,-0.3 -0.406 38.5-135.0 -62.3 127.1 14.6 3.8 13.7 28 73 A F T 3 S+ 0 0 2 13,-0.5 4,-0.3 10,-0.4 3,-0.2 0.806 106.9 50.4 -52.0 -35.2 13.3 7.2 12.6 29 74 A N T 3 S+ 0 0 45 1,-0.2 -1,-0.3 9,-0.1 -2,-0.1 0.129 84.5 104.7 -92.4 20.3 10.1 6.7 14.6 30 75 A E S < S+ 0 0 103 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.994 93.2 11.7 -63.5 -69.1 12.1 5.7 17.7 31 76 A D S S+ 0 0 136 -4,-0.3 2,-0.4 -3,-0.2 -1,-0.2 0.448 126.4 50.0 -93.2 -3.9 11.8 8.8 20.0 32 77 A T > - 0 0 21 -4,-0.3 3,-0.7 -29,-0.1 -1,-0.1 -0.997 58.4-149.2-142.1 145.4 9.1 10.7 18.1 33 78 A E G > S+ 0 0 146 -2,-0.4 3,-0.7 1,-0.2 -4,-0.1 0.467 88.0 81.8 -84.9 -1.5 5.6 10.0 16.8 34 79 A K G 3 S+ 0 0 56 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.493 87.2 53.0 -83.8 -3.4 6.1 12.6 14.0 35 80 A L G X + 0 0 1 -3,-0.7 3,-2.0 1,-0.1 -1,-0.2 -0.067 62.8 126.0-122.3 35.8 8.0 10.3 11.7 36 81 A E G X + 0 0 99 -3,-0.7 3,-1.1 1,-0.3 4,-0.1 0.746 69.4 64.1 -63.7 -23.1 5.7 7.3 11.6 37 82 A N G 3 S+ 0 0 89 1,-0.2 -1,-0.3 -3,-0.2 3,-0.2 0.518 101.1 52.5 -79.2 -3.8 5.7 7.6 7.8 38 83 A L G X S+ 0 0 0 -3,-2.0 3,-1.4 1,-0.1 -10,-0.4 0.232 74.6 108.8-113.5 12.0 9.4 6.7 7.9 39 84 A R T < S+ 0 0 106 -3,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.740 75.2 53.1 -63.1 -25.9 9.1 3.6 10.0 40 85 A D T 3 S+ 0 0 57 -3,-0.2 80,-2.5 84,-0.1 85,-0.4 0.486 95.9 84.8 -89.9 -0.7 9.9 1.1 7.2 41 86 A Y E < - I 0 119B 38 -3,-1.4 -13,-0.5 78,-0.2 2,-0.4 -0.807 52.3-176.4-106.3 142.5 13.2 2.9 6.2 42 87 A R E - I 0 118B 9 76,-2.1 76,-4.2 -2,-0.4 2,-0.4 -0.987 13.1-149.2-134.4 143.9 16.6 2.4 7.7 43 88 A V E + I 0 117B 1 -2,-0.4 -18,-3.7 -18,-0.3 2,-0.3 -0.937 18.1 178.4-114.3 133.9 19.8 4.2 7.0 44 89 A L E -HI 24 116B 4 72,-2.3 72,-2.0 -2,-0.4 2,-0.4 -0.908 16.6-147.6-129.6 160.3 23.2 2.4 7.3 45 90 A E E -HI 23 115B 24 -22,-2.6 -22,-2.6 -2,-0.3 2,-0.6 -0.958 5.9-158.5-134.6 116.9 26.7 3.6 6.6 46 91 A Y E -HI 22 114B 1 68,-2.5 68,-2.5 -2,-0.4 2,-0.5 -0.843 14.1-179.8 -99.1 119.6 29.4 1.3 5.4 47 92 A C E +HI 21 113B 37 -26,-3.2 -26,-4.1 -2,-0.6 2,-0.3 -0.964 9.0 156.9-122.4 124.3 33.0 2.5 6.0 48 93 A S E -HI 20 112B 3 64,-2.3 64,-2.9 -2,-0.5 -28,-0.3 -0.978 30.5-125.3-144.0 157.8 36.1 0.6 5.0 49 94 A K > - 0 0 122 -30,-2.6 3,-0.5 -2,-0.3 56,-0.2 -0.369 52.7 -54.1 -94.9 175.0 39.8 1.2 4.3 50 95 A P T 3 S+ 0 0 32 0, 0.0 58,-0.2 0, 0.0 -1,-0.2 -0.063 116.1 11.1 -50.3 147.0 41.9 0.3 1.2 51 96 A N T 3 S+ 0 0 48 54,-1.2 126,-4.3 56,-0.8 2,-0.3 0.859 95.1 130.8 50.4 47.6 42.1 -3.3 -0.2 52 97 A T E < -MN 105 176C 2 53,-0.8 53,-3.1 -3,-0.5 2,-0.4 -0.904 41.0-155.8-126.0 154.9 39.3 -4.6 2.0 53 98 A L E -MN 104 175C 25 122,-2.2 122,-1.7 -2,-0.3 2,-0.5 -0.983 16.9-133.6-138.6 126.8 36.3 -6.6 1.1 54 99 A L E -MN 103 174C 1 49,-2.7 49,-0.7 -2,-0.4 120,-0.2 -0.638 43.2-116.4 -73.0 124.6 32.9 -7.0 2.9 55 100 A L E - 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