==== 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 SEED STORAGE PROTEIN 08-JUL-93 1CAU . COMPND 2 MOLECULE: CANAVALIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR T-P.KO,J.D.NG,J.DAY,A.GREENWOOD,A.MCPHERSON . 365 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 35.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 51 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 1 1 1 1 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 . 2 1 4 4 3 2 4 2 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 44 A A 0 0 164 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.2 -0.4 -6.1 -29.7 2 45 A Q - 0 0 178 1,-0.4 0, 0.0 31,-0.0 0, 0.0 -0.427 360.0 -70.2-135.3-152.1 -1.9 -8.6 -27.1 3 46 A N - 0 0 80 -2,-0.1 -1,-0.4 1,-0.1 30,-0.1 0.357 56.6-142.8 -87.0-137.3 -1.0 -9.7 -23.4 4 47 A N - 0 0 98 29,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.901 18.1-101.5-163.0-172.8 2.2 -11.8 -22.3 5 48 A P S S- 0 0 106 0, 0.0 2,-1.3 0, 0.0 28,-0.0 -0.685 79.9 -42.7-118.8 167.2 4.6 -14.3 -20.6 6 49 A Y S S+ 0 0 81 -2,-0.2 2,-0.4 2,-0.1 28,-0.1 -0.147 79.8 155.0 -35.6 54.5 7.4 -13.2 -17.8 7 50 A L + 0 0 74 -2,-1.3 26,-0.1 26,-0.2 29,-0.1 -0.766 43.2 171.0-123.4 154.7 9.2 -9.8 -19.0 8 51 A F + 0 0 3 -2,-0.4 281,-2.5 281,-0.1 2,-0.7 0.011 61.5 104.5-119.5 7.6 11.0 -6.7 -18.0 9 52 A R E +A 288 0A 96 279,-0.2 2,-0.4 277,-0.0 279,-0.3 -0.953 44.7 173.2-104.2 115.5 11.9 -5.6 -21.6 10 53 A S E +A 287 0A 16 277,-2.7 277,-1.2 -2,-0.7 3,-0.0 -0.978 15.4 153.0-127.9 107.1 9.6 -2.7 -22.4 11 54 A N + 0 0 64 -2,-0.4 2,-0.4 275,-0.2 -1,-0.1 0.352 48.8 82.5-114.7 -3.6 10.3 -0.8 -25.8 12 55 A K + 0 0 163 275,-0.1 16,-0.8 16,-0.0 -1,-0.1 -0.907 45.6 177.0-125.8 117.0 6.7 0.6 -26.8 13 56 A F E -G 27 0B 19 -2,-0.4 2,-0.4 14,-0.2 14,-0.2 -0.080 28.0-116.2 -90.3-172.1 4.8 3.7 -25.8 14 57 A L E -G 26 0B 93 12,-0.7 12,-1.1 -2,-0.0 2,-0.6 -0.995 26.5-123.5-128.7 131.7 1.6 5.2 -26.8 15 58 A T E +G 25 0B 66 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.704 28.1 174.3 -83.3 125.8 1.4 8.6 -28.4 16 59 A L E S+ 0 0 81 8,-3.6 2,-0.3 -2,-0.6 -1,-0.2 0.563 76.7 3.1 -94.6 -20.6 -0.7 11.0 -26.6 17 60 A F E +G 24 0B 16 7,-1.2 7,-2.4 157,-0.0 -1,-0.4 -0.941 58.4 172.7-164.1 146.0 0.3 13.8 -29.0 18 61 A K E +G 23 0B 125 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.798 24.2 133.2-162.5 110.3 2.4 14.3 -32.2 19 62 A N E > -G 22 0B 26 3,-1.9 3,-1.6 -2,-0.2 154,-0.1 -0.801 66.8 -50.8-136.4-161.6 2.6 17.5 -34.3 20 63 A Q T 3 S+ 0 0 122 1,-0.3 3,-0.1 -2,-0.2 157,-0.1 0.659 128.5 31.5 -45.5 -37.3 5.0 19.9 -36.0 21 64 A H T 3 S- 0 0 29 1,-0.3 30,-1.4 155,-0.2 2,-0.3 0.258 117.6 -35.4-119.1 13.8 7.2 20.4 -33.1 22 65 A G E < -GH 19 50B 11 -3,-1.6 -3,-1.9 28,-0.2 2,-0.4 -0.860 50.2 -85.2 154.1 170.1 7.3 17.3 -31.0 23 66 A S E -GH 18 49B 12 26,-2.3 26,-1.5 -2,-0.3 2,-0.4 -0.877 9.1-161.5-124.4 150.5 6.1 14.2 -29.4 24 67 A L E +GH 17 48B 11 -7,-2.4 -8,-3.6 -2,-0.4 -7,-1.2 -0.846 23.5 167.2-128.2 102.3 4.4 13.0 -26.4 25 68 A R E -GH 15 47B 57 22,-1.4 22,-2.3 -2,-0.4 2,-0.3 -0.618 19.5-160.0-111.4 161.8 4.6 9.4 -25.5 26 69 A L E -GH 14 46B 18 -12,-1.1 -12,-0.7 20,-0.3 20,-0.3 -0.924 22.0-128.6-145.2 108.2 3.8 7.3 -22.4 27 70 A L E -G 13 0B 1 18,-3.2 18,-0.3 -2,-0.3 -14,-0.2 -0.263 40.2-102.8 -51.6 144.8 5.3 3.9 -21.7 28 71 A Q - 0 0 54 -16,-0.8 17,-0.2 1,-0.2 -1,-0.1 -0.240 51.1 -71.0 -69.1 168.1 2.6 1.4 -21.0 29 72 A R - 0 0 67 1,-0.1 4,-0.4 -3,-0.1 3,-0.2 -0.183 35.8-136.1 -57.7 142.8 1.9 0.3 -17.5 30 73 A F S > S+ 0 0 8 13,-0.4 3,-0.7 10,-0.3 7,-0.2 0.928 103.0 41.4 -69.0 -50.7 4.4 -1.9 -15.8 31 74 A N T 3 S+ 0 0 36 1,-0.2 3,-0.3 7,-0.2 -1,-0.2 0.395 92.7 99.2 -78.1 3.8 2.0 -4.5 -14.2 32 75 A E T 3 S+ 0 0 103 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.894 94.0 19.7 -63.4 -41.8 0.1 -4.4 -17.4 33 76 A D S < S+ 0 0 24 -3,-0.7 2,-0.3 -4,-0.4 -1,-0.2 0.366 130.7 37.9-111.3 11.8 1.4 -7.4 -19.0 34 77 A T > - 0 0 18 -3,-0.3 3,-0.6 -4,-0.2 -1,-0.2 -0.954 52.4-149.5-164.4 143.1 2.7 -9.0 -15.9 35 78 A E G > S+ 0 0 131 -2,-0.3 3,-0.6 1,-0.2 4,-0.1 0.335 95.4 81.4 -85.4 -0.2 2.1 -9.6 -12.2 36 79 A K G 3 S+ 0 0 27 1,-0.3 2,-0.5 -6,-0.1 3,-0.3 0.740 88.5 48.5 -79.3 -28.0 5.8 -9.7 -12.0 37 80 A L G < + 0 0 2 -3,-0.6 3,-0.3 -7,-0.2 -1,-0.3 -0.336 69.5 130.0-108.0 57.6 6.1 -6.0 -12.0 38 81 A E X + 0 0 88 -3,-0.6 3,-1.6 -2,-0.5 -1,-0.2 0.936 68.0 57.5 -73.8 -37.1 3.6 -5.4 -9.3 39 82 A N T 3 S+ 0 0 93 -3,-0.3 3,-0.4 1,-0.3 -1,-0.2 0.617 99.2 58.8 -62.5 -22.4 5.8 -3.1 -7.3 40 83 A L T > S+ 0 0 0 -3,-0.3 3,-1.7 1,-0.2 -1,-0.3 0.460 78.2 108.9 -88.9 2.4 6.3 -0.7 -10.3 41 84 A R T < + 0 0 115 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.708 68.0 53.7 -48.4 -38.8 2.5 -0.2 -10.3 42 85 A D T 3 S+ 0 0 69 -3,-0.4 80,-3.0 84,-0.2 2,-0.3 0.324 99.1 76.6 -86.7 6.2 2.2 3.4 -9.0 43 86 A Y E < - I 0 121B 41 -3,-1.7 -13,-0.4 78,-0.2 2,-0.3 -0.950 54.6-165.3-125.0 149.4 4.6 4.9 -11.5 44 87 A R E - I 0 120B 28 76,-2.3 76,-3.4 -2,-0.3 2,-0.5 -0.949 9.4-148.9-131.3 145.8 4.6 6.0 -15.2 45 88 A V E - I 0 119B 2 -2,-0.3 -18,-3.2 -18,-0.3 2,-0.3 -0.951 19.3-179.7-114.7 120.0 7.4 6.8 -17.7 46 89 A L E -HI 26 118B 4 72,-2.0 72,-1.3 -2,-0.5 2,-0.4 -0.725 17.5-136.3-112.6 168.2 6.7 9.4 -20.4 47 90 A E E -HI 25 117B 17 -22,-2.3 -22,-1.4 -2,-0.3 2,-0.6 -0.964 12.2-164.3-129.6 127.2 8.9 10.7 -23.2 48 91 A Y E +HI 24 116B 3 68,-5.2 68,-2.8 -2,-0.4 2,-0.5 -0.798 11.2 171.3-123.6 110.3 9.3 14.2 -24.4 49 92 A C E +HI 23 115B 37 -26,-1.5 -26,-2.3 -2,-0.6 2,-0.3 -0.930 10.3 170.0-112.5 124.4 10.8 15.3 -27.6 50 93 A S E -HI 22 114B 0 64,-2.1 64,-1.2 -2,-0.5 -28,-0.2 -0.816 23.5-127.2-127.1 160.7 10.6 18.9 -28.7 51 94 A K - 0 0 93 -30,-1.4 56,-0.4 -2,-0.3 3,-0.2 -0.650 43.2 -68.7-106.9 167.9 12.3 20.9 -31.4 52 95 A P S S+ 0 0 36 0, 0.0 57,-0.1 0, 0.0 -1,-0.1 -0.296 115.5 14.1 -56.2 136.1 14.2 24.2 -31.4 53 96 A N S S+ 0 0 40 54,-1.9 126,-0.4 55,-0.4 2,-0.3 0.988 95.8 130.2 54.0 72.2 12.1 27.3 -30.6 54 97 A T E -M 107 0C 1 53,-0.8 53,-1.1 124,-0.4 2,-0.4 -0.950 41.9-152.2-148.4 153.4 9.1 25.6 -29.2 55 98 A L E -M 106 0C 26 -2,-0.3 122,-1.7 122,-0.2 2,-0.6 -0.986 13.3-140.8-131.9 136.6 6.9 25.9 -26.1 56 99 A L E -MN 105 176C 4 49,-2.6 49,-0.9 -2,-0.4 120,-0.2 -0.902 43.7-109.7 -93.8 119.1 4.8 23.2 -24.3 57 100 A L E - 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