==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 20-DEC-10 3Q2P . COMPND 2 MOLECULE: MONELLIN CHAIN B/MONELLIN CHAIN A CHIMERIC PROTEI . SOURCE 2 ORGANISM_SCIENTIFIC: DIOSCOREOPHYLLUM CUMMINSII; . AUTHOR C.M.TEMPLETON,J.R.HOBBS,S.D.MUNGER,G.L.CONN . 385 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21845.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 72.2 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 . 155 40.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 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 1.0 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 . 39 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 17.1 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 0 0 0 0 0 0 0 0 0 0 0 0 4 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 . 0 0 0 1 2 5 0 0 1 7 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 4 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 74 0, 0.0 2,-0.4 0, 0.0 45,-0.2 0.000 360.0 360.0 360.0 150.7 22.3 11.3 37.8 2 2 A E E -A 45 0A 116 43,-1.9 43,-2.6 136,-0.0 2,-0.3 -0.995 360.0-145.6-135.0 138.3 23.6 8.2 36.1 3 3 A W E +A 44 0A 23 -2,-0.4 2,-0.3 41,-0.2 41,-0.2 -0.808 19.2 168.3-107.9 142.8 21.7 5.1 34.8 4 4 A E E -A 43 0A 114 39,-2.2 39,-2.9 -2,-0.3 2,-0.3 -0.952 34.9-113.7-140.0 159.6 22.7 1.4 34.7 5 5 A I E -A 42 0A 52 -2,-0.3 2,-0.3 37,-0.2 37,-0.2 -0.737 35.9-166.8 -83.3 142.9 21.0 -1.9 34.0 6 6 A I E -A 41 0A 45 35,-2.4 35,-0.5 -2,-0.3 -2,-0.0 -0.962 24.3 -97.0-131.5 157.4 20.9 -4.2 37.1 7 7 A D - 0 0 117 -2,-0.3 -1,-0.1 1,-0.1 5,-0.0 -0.033 28.9-119.5 -62.8 168.3 20.1 -7.9 37.4 8 8 A I + 0 0 30 4,-0.1 29,-0.2 3,-0.1 -1,-0.1 -0.202 64.5 137.8-101.9 39.8 16.7 -9.2 38.5 9 9 A G S >> S- 0 0 28 3,-0.1 4,-2.4 4,-0.1 3,-0.8 0.116 73.9 -69.4 -71.4-169.0 17.9 -10.9 41.6 10 10 A P H 3> S+ 0 0 108 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.884 131.3 56.1 -54.5 -44.2 16.3 -10.9 45.1 11 11 A F H 3> S+ 0 0 96 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.880 111.5 44.0 -56.4 -38.3 17.0 -7.3 45.8 12 12 A T H <> S+ 0 0 4 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.905 109.8 54.1 -74.3 -43.4 15.1 -6.3 42.6 13 13 A Q H X S+ 0 0 49 -4,-2.4 4,-3.5 2,-0.2 5,-0.2 0.891 107.2 53.6 -54.8 -42.7 12.2 -8.7 43.2 14 14 A N H X S+ 0 0 100 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.947 108.2 48.7 -58.1 -50.0 11.8 -7.0 46.6 15 15 A L H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.919 113.2 48.3 -53.2 -44.3 11.7 -3.6 45.0 16 16 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.949 111.5 48.3 -67.1 -45.9 9.1 -5.0 42.6 17 17 A K H X S+ 0 0 90 -4,-3.5 4,-2.8 1,-0.2 -1,-0.2 0.888 109.9 54.1 -57.9 -38.4 7.1 -6.5 45.4 18 18 A F H X S+ 0 0 47 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.871 105.6 52.6 -63.6 -36.9 7.4 -3.2 47.1 19 19 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.882 111.7 46.7 -62.4 -38.3 5.9 -1.5 44.0 20 20 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.890 110.2 52.0 -74.3 -39.1 3.0 -3.9 44.1 21 21 A D H X S+ 0 0 62 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.896 112.2 46.3 -63.1 -39.5 2.4 -3.4 47.8 22 22 A E H X S+ 0 0 46 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.904 111.5 51.2 -67.8 -40.4 2.3 0.4 47.4 23 23 A E H X S+ 0 0 6 -4,-1.8 4,-3.2 2,-0.2 5,-0.5 0.866 105.4 55.5 -66.4 -38.0 -0.0 0.2 44.4 24 24 A N H < S+ 0 0 24 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.901 106.5 52.1 -60.7 -40.4 -2.4 -2.1 46.3 25 25 A K H < S+ 0 0 160 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.924 110.3 48.2 -57.1 -43.8 -2.5 0.7 48.9 26 26 A I H < S- 0 0 102 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.932 91.4-157.4 -67.6 -44.8 -3.3 3.1 46.2 27 27 A G >< + 0 0 39 -4,-3.2 3,-1.2 3,-0.2 -3,-0.1 0.475 47.4 130.8 87.1 3.9 -6.1 0.9 44.7 28 28 A Q T 3 S+ 0 0 144 -5,-0.5 3,-0.1 1,-0.3 -4,-0.1 0.823 83.0 32.2 -62.6 -32.9 -6.1 2.3 41.2 29 29 A Y T 3 S- 0 0 72 1,-0.4 -1,-0.3 -6,-0.3 2,-0.1 0.266 111.8-122.1-104.3 5.9 -5.9 -1.1 39.6 30 30 A G < - 0 0 39 -3,-1.2 2,-0.9 -7,-0.2 -1,-0.4 -0.417 69.7 -9.3 78.8-160.4 -7.9 -2.9 42.2 31 31 A R S S- 0 0 192 -2,-0.1 2,-0.3 -3,-0.1 -7,-0.1 -0.584 71.5-169.7 -80.9 106.9 -6.3 -5.9 44.0 32 32 A L - 0 0 10 -2,-0.9 2,-0.6 -12,-0.2 -8,-0.1 -0.689 12.6-149.2 -92.8 144.5 -3.0 -6.9 42.4 33 33 A T - 0 0 88 -2,-0.3 34,-2.7 -9,-0.0 35,-0.3 -0.922 24.1-123.2-116.3 110.4 -1.1 -10.1 43.2 34 34 A F E + B 0 66A 53 -2,-0.6 32,-0.3 32,-0.3 3,-0.1 -0.177 35.8 168.2 -52.9 131.5 2.6 -9.7 42.8 35 35 A N E - 0 0 61 30,-2.8 2,-0.3 1,-0.2 31,-0.2 0.764 51.2 -56.7-105.1 -67.1 4.1 -12.3 40.4 36 36 A K E - B 0 65A 110 29,-1.2 29,-2.5 -20,-0.1 2,-0.3 -0.971 39.0-104.5-170.7 157.6 7.7 -11.3 39.6 37 37 A A E - B 0 64A 3 -2,-0.3 2,-0.3 27,-0.2 27,-0.2 -0.750 39.1-166.7 -86.6 144.5 10.1 -8.6 38.3 38 38 A I E - B 0 63A 30 25,-2.0 25,-0.7 -2,-0.3 -2,-0.0 -0.882 25.3 -52.0-128.1 161.1 11.4 -9.2 34.7 39 39 A R E S+ 0 0 143 -2,-0.3 2,-0.1 23,-0.1 -32,-0.1 -0.404 96.8 55.4 -70.6 153.1 14.2 -7.7 32.6 40 40 A P E + 0 0 3 0, 0.0 2,-0.4 0, 0.0 23,-0.2 0.498 62.6 169.5 -95.1 150.0 15.1 -5.1 31.8 41 41 A C E -A 6 0A 0 -35,-0.5 -35,-2.4 21,-0.1 2,-0.4 -0.970 14.2-158.9-121.1 130.1 15.5 -3.2 35.1 42 42 A M E -AB 5 61A 2 19,-2.1 19,-2.1 -2,-0.4 2,-0.4 -0.844 4.4-163.7-111.2 145.1 17.2 0.2 35.4 43 43 A K E -AB 4 60A 48 -39,-2.9 -39,-2.2 -2,-0.4 2,-0.4 -0.988 2.6-161.3-129.3 128.2 18.8 2.0 38.3 44 44 A K E -AB 3 59A 36 15,-3.5 15,-2.1 -2,-0.4 2,-0.5 -0.876 5.5-155.8-103.7 136.2 19.6 5.7 38.5 45 45 A T E -AB 2 58A 25 -43,-2.6 -43,-1.9 -2,-0.4 2,-0.5 -0.969 10.1-156.5-111.7 126.4 22.1 7.0 41.0 46 46 A I E - B 0 57A 35 11,-2.2 10,-2.6 -2,-0.5 11,-1.3 -0.879 9.3-169.5-108.3 126.2 21.7 10.7 42.0 47 47 A Y E - B 0 55A 66 -2,-0.5 8,-0.2 8,-0.2 11,-0.0 -0.331 32.8-105.8-102.8-172.4 24.6 12.7 43.4 48 48 A E - 0 0 88 6,-0.6 7,-0.1 -2,-0.1 -2,-0.0 0.485 44.3-115.4 -96.2 -3.9 24.8 16.2 45.0 49 49 A N S S+ 0 0 166 5,-0.1 -3,-0.0 1,-0.0 0, 0.0 0.864 88.6 96.5 69.2 38.4 26.3 18.3 42.2 50 50 A E S S- 0 0 74 4,-0.1 -3,-0.0 0, 0.0 -1,-0.0 0.686 84.8-113.9-119.1 -79.1 29.4 18.9 44.3 51 51 A G S S+ 0 0 75 3,-0.0 0, 0.0 0, 0.0 0, 0.0 0.221 94.4 88.7 145.9 -10.8 32.6 16.9 43.9 52 52 A F S S- 0 0 185 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.409 96.9-123.1 -85.6 2.0 32.8 15.0 47.2 53 53 A R + 0 0 193 1,-0.2 2,-0.6 0, 0.0 -6,-0.0 0.988 43.1 177.8 46.5 75.1 30.7 12.4 45.6 54 54 A E - 0 0 105 0, 0.0 -6,-0.6 0, 0.0 2,-0.3 -0.939 24.1-135.1-107.6 117.2 27.9 12.4 48.1 55 55 A I E -B 47 0A 41 -2,-0.6 -8,-0.2 -8,-0.2 25,-0.1 -0.577 22.2-179.2 -74.4 128.1 25.0 10.1 47.3 56 56 A K E - 0 0 98 -10,-2.6 23,-2.0 -2,-0.3 24,-0.5 0.839 55.7 -73.3 -89.5 -41.8 21.6 11.6 47.7 57 57 A G E -BC 46 78A 7 -11,-1.3 -11,-2.2 21,-0.3 -1,-0.3 -0.971 45.1 -90.5 172.3-161.5 19.6 8.5 46.7 58 58 A Y E -BC 45 77A 39 19,-3.1 19,-2.4 -2,-0.3 2,-0.3 -0.911 13.8-154.5-140.9 162.1 18.4 6.2 43.9 59 59 A E E -BC 44 76A 33 -15,-2.1 -15,-3.5 -2,-0.3 2,-0.4 -0.997 11.1-161.2-138.8 143.9 15.6 5.6 41.3 60 60 A Y E -BC 43 75A 1 15,-2.9 15,-2.1 -2,-0.3 2,-0.5 -0.967 11.8-160.6-126.2 141.8 14.5 2.4 39.7 61 61 A Q E +BC 42 74A 7 -19,-2.1 -19,-2.1 -2,-0.4 2,-0.3 -0.958 29.8 178.5-115.3 109.6 12.4 1.7 36.5 62 62 A L E - C 0 73A 1 11,-3.1 11,-2.4 -2,-0.5 2,-0.5 -0.825 31.0-140.6-116.5 150.1 11.1 -1.8 36.8 63 63 A Y E +BC 38 72A 15 -25,-0.7 -25,-2.0 -2,-0.3 2,-0.4 -0.933 32.8 179.3 -99.2 129.0 8.9 -4.2 34.8 64 64 A V E -BC 37 71A 0 7,-3.0 7,-2.5 -2,-0.5 2,-0.5 -0.985 24.4-146.9-140.2 126.6 6.6 -6.2 37.0 65 65 A Y E +BC 36 70A 65 -29,-2.5 -30,-2.8 -2,-0.4 -29,-1.2 -0.798 24.6 168.5 -85.5 126.6 3.9 -8.8 36.5 66 66 A A E > S-BC 34 69A 0 3,-2.2 3,-2.2 -2,-0.5 -32,-0.3 -0.991 73.5 -2.9-133.8 139.0 1.1 -8.7 39.0 67 67 A S T 3 S- 0 0 33 -34,-2.7 -33,-0.1 -2,-0.4 3,-0.1 0.850 129.2 -63.8 46.7 38.0 -2.1 -10.7 38.4 68 68 A D T 3 S+ 0 0 133 -35,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.713 113.2 113.8 61.1 24.6 -0.6 -11.8 35.1 69 69 A K E < -C 66 0A 116 -3,-2.2 -3,-2.2 -5,-0.0 2,-0.5 -0.973 66.3-123.6-122.5 142.6 -0.5 -8.3 33.7 70 70 A L E +C 65 0A 7 -2,-0.4 23,-2.0 23,-0.3 2,-0.3 -0.718 32.8 178.5 -92.1 129.2 2.7 -6.4 32.9 71 71 A F E -C 64 0A 2 -7,-2.5 -7,-3.0 -2,-0.5 2,-0.5 -0.886 25.7-135.7-128.1 159.8 3.3 -3.0 34.6 72 72 A R E -CD 63 90A 30 18,-2.6 18,-2.5 -2,-0.3 2,-0.4 -0.959 26.6-173.8-115.9 115.2 6.0 -0.4 34.6 73 73 A A E -CD 62 89A 0 -11,-2.4 -11,-3.1 -2,-0.5 2,-0.5 -0.870 14.6-156.6-111.9 144.1 6.9 1.0 38.1 74 74 A D E -CD 61 88A 2 14,-2.5 13,-2.7 -2,-0.4 14,-1.3 -0.985 18.3-177.1-115.6 125.1 9.2 3.8 39.1 75 75 A I E -CD 60 86A 0 -15,-2.1 -15,-2.9 -2,-0.5 2,-0.3 -0.893 11.7-155.1-120.9 145.7 10.5 3.7 42.6 76 76 A S E -CD 59 85A 16 9,-2.6 9,-2.2 -2,-0.3 2,-0.4 -0.888 6.5-165.2-115.5 156.2 12.7 6.2 44.5 77 77 A E E -CD 58 84A 26 -19,-2.4 -19,-3.1 -2,-0.3 2,-0.4 -0.983 16.6-133.2-143.3 128.7 15.0 5.4 47.5 78 78 A D E > -C 57 0A 62 5,-3.0 4,-1.9 -2,-0.4 -21,-0.3 -0.648 12.2-147.2 -84.0 133.3 16.6 7.8 49.9 79 79 A Y T 4 S+ 0 0 103 -23,-2.0 -22,-0.2 -2,-0.4 -1,-0.1 0.946 92.0 35.3 -70.3 -51.9 20.3 7.1 50.6 80 80 A K T 4 S+ 0 0 171 -24,-0.5 -1,-0.2 1,-0.2 -23,-0.1 0.911 129.0 33.8 -68.9 -41.7 20.6 8.2 54.2 81 81 A T T 4 S- 0 0 99 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.731 90.4-139.8 -88.9 -24.9 17.2 7.1 55.4 82 82 A R < + 0 0 197 -4,-1.9 2,-0.2 1,-0.3 -3,-0.1 0.598 51.1 148.0 70.9 11.2 16.7 4.1 53.2 83 83 A G - 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