==== 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 27-MAY-93 1CAV . COMPND 2 MOLECULE: CANAVALIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR T-P.KO,J.D.NG,A.MCPHERSON . 365 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19560.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 65.8 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 . 125 34.2 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 46 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 6.8 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 1 0 0 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 . 3 2 4 3 2 2 3 3 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 58 0, 0.0 2,-0.1 0, 0.0 12,-0.0 0.000 360.0 360.0 360.0 82.8 14.4 60.2 -16.1 2 45 A Q - 0 0 167 2,-0.1 31,-0.2 32,-0.0 30,-0.1 -0.306 360.0 -9.2 133.3 141.9 11.3 60.7 -18.3 3 46 A N + 0 0 135 29,-0.3 30,-0.1 -2,-0.1 31,-0.0 0.382 58.4 145.0 8.4 77.8 7.7 59.5 -19.0 4 47 A N - 0 0 47 1,-0.2 3,-0.3 3,-0.1 -1,-0.1 -0.949 42.0-133.7-123.3 137.3 6.5 56.3 -17.2 5 48 A P S S- 0 0 72 0, 0.0 30,-0.8 0, 0.0 31,-0.6 0.970 82.0 -15.1 -53.5 -84.5 2.8 55.8 -16.0 6 49 A Y S S+ 0 0 23 28,-0.2 2,-0.7 29,-0.1 28,-0.0 -0.556 78.0 157.6-130.0 65.6 2.8 54.5 -12.5 7 50 A L + 0 0 70 -3,-0.3 27,-0.2 1,-0.1 26,-0.1 -0.843 19.1 178.2-100.1 112.3 6.2 53.3 -11.7 8 51 A F + 0 0 2 -2,-0.7 281,-4.3 281,-0.1 2,-0.5 0.132 57.6 100.4 -92.0 17.1 7.0 53.2 -8.0 9 52 A R E +A 288 0A 89 279,-0.2 2,-0.4 277,-0.0 279,-0.2 -0.908 46.3 175.1-113.0 112.3 10.5 51.7 -8.9 10 53 A S E +A 287 0A 15 277,-2.7 277,-4.0 -2,-0.5 3,-0.1 -0.944 19.0 149.7-119.7 134.1 13.6 54.0 -8.9 11 54 A N + 0 0 86 -2,-0.4 2,-0.5 275,-0.2 -1,-0.1 0.236 56.5 77.3-137.5 7.5 17.3 53.0 -9.5 12 55 A K + 0 0 92 275,-0.1 16,-0.9 16,-0.0 2,-0.3 -0.849 44.4 174.3-138.5 110.5 19.0 56.0 -11.2 13 56 A F E -G 27 0B 19 -2,-0.5 14,-0.4 14,-0.2 2,-0.3 -0.725 36.6-116.4 -95.2 149.5 20.1 59.2 -9.6 14 57 A L E -G 26 0B 77 12,-4.5 12,-3.6 -2,-0.3 2,-0.3 -0.680 32.0-114.2 -89.2 144.9 21.9 61.7 -11.6 15 58 A T E -G 25 0B 73 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.614 22.0-169.3 -81.4 132.6 25.5 62.5 -10.5 16 59 A L E S- 0 0 81 8,-2.9 2,-0.3 1,-0.5 9,-0.2 0.821 76.2 -29.1 -85.3 -35.9 26.3 66.0 -9.2 17 60 A F E -G 24 0B 30 7,-1.3 7,-2.1 2,-0.0 -1,-0.5 -0.845 63.5-173.4-173.9 152.4 30.0 65.3 -9.2 18 61 A K E +G 23 0B 145 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.950 14.3 145.1-148.3 158.5 32.2 62.3 -8.9 19 62 A N E > -G 22 0B 37 3,-2.0 3,-2.2 -2,-0.3 -2,-0.0 -0.983 61.2 -48.4-171.8-173.1 36.0 61.6 -8.7 20 63 A Q T 3 S+ 0 0 125 1,-0.3 3,-0.1 -2,-0.3 157,-0.1 0.665 129.8 30.0 -45.3 -30.7 38.9 59.6 -7.3 21 64 A H T 3 S- 0 0 19 155,-0.2 30,-2.4 1,-0.2 2,-0.3 0.401 119.9 -22.7-118.1 3.7 37.6 59.9 -3.7 22 65 A G E < -GH 19 50B 8 -3,-2.2 -3,-2.0 28,-0.2 2,-0.3 -0.997 46.3-124.7 173.2-179.8 33.9 60.1 -3.7 23 66 A S E -GH 18 49B 12 26,-1.2 26,-2.1 -2,-0.3 2,-0.4 -0.989 3.3-158.9-161.4 150.3 30.6 60.8 -5.2 24 67 A L E -GH 17 48B 5 -7,-2.1 -8,-2.9 -2,-0.3 -7,-1.3 -0.997 22.8-178.2-134.0 116.9 27.4 62.7 -4.8 25 68 A R E -GH 15 47B 59 22,-1.6 22,-1.7 -2,-0.4 2,-0.4 -0.885 11.4-154.5-119.9 150.2 24.4 61.4 -6.7 26 69 A L E -GH 14 46B 25 -12,-3.6 -12,-4.5 -2,-0.3 20,-0.2 -0.977 15.8-127.4-138.4 122.6 20.9 62.7 -6.9 27 70 A L E -G 13 0B 0 18,-2.4 -14,-0.2 -2,-0.4 18,-0.2 -0.164 37.5 -94.4 -63.2 146.5 17.6 60.8 -7.6 28 71 A Q - 0 0 33 -16,-0.9 -1,-0.1 1,-0.2 2,-0.1 -0.337 58.4 -80.8 -60.7 148.1 15.3 61.9 -10.4 29 72 A R - 0 0 76 1,-0.1 3,-0.2 2,-0.1 -1,-0.2 -0.350 41.8-134.4 -48.8 118.3 12.5 64.1 -9.2 30 73 A F S S+ 0 0 12 13,-0.5 2,-3.2 1,-0.3 3,-0.4 0.886 102.2 58.5 -43.5 -55.8 9.9 61.6 -7.7 31 74 A N S S+ 0 0 37 1,-0.2 -1,-0.3 7,-0.1 -2,-0.1 -0.270 83.3 119.9 -73.4 55.7 7.0 63.3 -9.4 32 75 A E S S- 0 0 73 -2,-3.2 -29,-0.3 -3,-0.2 -1,-0.2 0.967 82.1 -13.9 -91.1 -62.4 8.6 62.7 -12.6 33 76 A D S S+ 0 0 23 -3,-0.4 2,-0.1 -31,-0.2 -30,-0.1 0.697 122.3 68.2-110.1 -38.5 6.8 60.6 -15.2 34 77 A T - 0 0 6 -4,-0.3 3,-0.3 -27,-0.2 -28,-0.2 -0.455 61.8-159.0 -77.1 152.4 4.2 59.2 -13.0 35 78 A E S > S+ 0 0 160 -30,-0.8 3,-1.1 1,-0.1 -1,-0.1 0.382 80.0 94.5-103.6 -3.0 1.5 61.5 -11.7 36 79 A K T 3 S+ 0 0 32 -31,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.391 83.6 48.3 -67.0 2.3 1.1 58.8 -9.2 37 80 A L T >> + 0 0 6 -3,-0.3 3,-1.6 1,-0.1 4,-0.7 -0.002 56.0 128.1-139.7 38.7 3.5 60.7 -6.9 38 81 A E T <4 S+ 0 0 136 -3,-1.1 3,-0.3 1,-0.3 4,-0.1 0.766 75.8 65.6 -64.3 -20.7 2.5 64.4 -6.6 39 82 A N T 34 S+ 0 0 84 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.455 104.1 43.9 -76.8 -6.1 2.6 63.9 -2.7 40 83 A L T X4 S+ 0 0 0 -3,-1.6 3,-2.7 2,-0.1 -10,-0.2 0.456 79.6 111.2-112.0 -15.3 6.4 63.3 -2.9 41 84 A R T 3< S+ 0 0 100 -4,-0.7 -2,-0.1 -3,-0.3 -3,-0.1 0.549 79.4 47.9 -29.2 -31.7 6.9 66.2 -5.3 42 85 A D T 3 S+ 0 0 64 84,-0.1 80,-1.8 -4,-0.1 85,-0.5 0.566 95.3 81.8 -93.3 -23.4 8.8 68.1 -2.5 43 86 A Y E < - I 0 121B 42 -3,-2.7 -13,-0.5 78,-0.2 2,-0.3 -0.508 54.8-175.8 -84.9 153.8 11.2 65.4 -1.2 44 87 A R E - I 0 120B 23 76,-1.1 76,-3.1 -2,-0.2 2,-0.4 -0.977 12.2-145.6-148.0 156.2 14.5 64.5 -2.8 45 88 A V E - I 0 119B 3 -2,-0.3 -18,-2.4 74,-0.2 2,-0.3 -0.999 11.2-176.2-133.2 133.2 17.1 61.9 -2.2 46 89 A L E -HI 26 118B 0 72,-2.2 72,-3.3 -2,-0.4 2,-0.3 -0.922 11.5-153.3-119.2 144.1 20.8 62.1 -2.6 47 90 A E E -HI 25 117B 11 -22,-1.7 -22,-1.6 -2,-0.3 2,-0.3 -0.781 14.8-166.4-109.1 162.3 23.2 59.2 -2.0 48 91 A Y E +HI 24 116B 3 68,-1.8 68,-2.3 -2,-0.3 2,-0.4 -0.967 13.0 177.0-153.9 134.9 26.8 59.8 -1.0 49 92 A C E -HI 23 115B 40 -26,-2.1 -26,-1.2 -2,-0.3 2,-0.4 -0.918 3.9-179.1-144.4 121.8 30.1 57.8 -0.8 50 93 A S E -HI 22 114B 2 64,-1.7 64,-2.3 -2,-0.4 -28,-0.2 -0.932 26.3-123.0-119.6 142.4 33.6 58.8 0.1 51 94 A K > - 0 0 78 -30,-2.4 3,-0.5 -2,-0.4 56,-0.2 -0.348 55.4 -67.2 -71.5 161.5 36.8 56.8 0.3 52 95 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.2 0, 0.0 57,-0.2 -0.093 116.2 15.6 -51.1 140.6 38.6 56.7 3.6 53 96 A N T 3 S+ 0 0 53 55,-0.6 126,-2.4 54,-0.5 2,-0.2 0.839 97.6 132.2 58.8 42.3 40.3 59.9 5.0 54 97 A T E < -M 178 0C 0 -3,-0.5 53,-1.1 53,-0.4 2,-0.3 -0.610 43.0-135.5-115.0 176.8 38.3 62.3 2.7 55 98 A L E -MN 177 106C 31 122,-1.2 122,-1.4 51,-0.2 2,-0.7 -0.991 13.1-151.1-140.1 142.6 36.3 65.6 3.0 56 99 A L E -MN 176 105C 1 49,-2.5 49,-1.1 -2,-0.3 120,-0.2 -0.945 44.8-122.4-102.2 114.8 33.2 67.2 1.8 57 100 A L E - 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