==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SWEET-TASTING PROTEIN 27-APR-93 1MOL . COMPND 2 MOLECULE: MONELLIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DIOSCOREOPHYLLUM CUMMINSII; . AUTHOR J.R.SOMOZA,S.-H.KIM . 188 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10862.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 71.8 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 . 79 42.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 0.5 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 . 14 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 17.0 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 1 0 1 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 0 2 2 0 0 0 3 1 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 2 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 41 0, 0.0 2,-0.4 0, 0.0 45,-0.2 0.000 360.0 360.0 360.0-163.9 4.5 62.2 -47.8 2 2 A E E -A 45 0A 82 43,-1.8 43,-2.7 133,-0.0 2,-0.4 -0.897 360.0-151.2-112.7 144.9 3.2 62.6 -51.3 3 3 A W E +A 44 0A 28 -2,-0.4 2,-0.3 41,-0.2 41,-0.2 -0.904 20.9 162.7-128.6 144.7 2.3 59.4 -53.1 4 4 A E E -A 43 0A 74 39,-1.8 39,-2.8 -2,-0.4 2,-0.4 -0.980 34.8-117.7-152.2 156.2 2.3 58.4 -56.8 5 5 A I E -A 42 0A 56 -2,-0.3 2,-0.3 37,-0.2 37,-0.2 -0.830 29.4-171.8 -94.8 142.2 2.3 55.2 -58.9 6 6 A I E -A 41 0A 36 35,-1.9 35,-0.6 -2,-0.4 2,-0.1 -0.805 26.7-102.7-122.1 164.7 5.3 54.7 -61.1 7 7 A D - 0 0 119 -2,-0.3 5,-0.2 33,-0.1 -1,-0.1 -0.322 25.8-112.3 -94.6-178.4 5.6 51.8 -63.8 8 8 A I + 0 0 32 4,-0.1 29,-0.2 3,-0.1 -1,-0.1 -0.118 67.0 127.7-103.7 37.9 7.5 48.6 -63.5 9 9 A G S >> S- 0 0 25 3,-0.1 4,-2.4 4,-0.1 3,-0.6 0.097 80.6 -55.5 -77.3-162.6 10.2 49.2 -66.1 10 10 A P H 3> S+ 0 0 95 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.831 132.4 54.5 -50.2 -43.8 14.0 48.8 -65.6 11 11 A F H 3> S+ 0 0 96 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.948 114.3 40.8 -57.4 -44.1 14.3 51.2 -62.7 12 12 A T H <> S+ 0 0 3 -3,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.860 110.4 57.9 -78.2 -31.8 11.7 49.3 -60.7 13 13 A Q H X S+ 0 0 86 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.928 107.3 49.1 -60.7 -42.1 13.1 45.9 -61.8 14 14 A N H X S+ 0 0 85 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.824 108.5 52.5 -71.1 -28.6 16.5 46.9 -60.3 15 15 A L H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.886 109.1 50.4 -68.5 -41.9 14.8 48.0 -57.0 16 16 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.937 111.4 48.4 -58.4 -47.1 13.1 44.5 -56.9 17 17 A K H X S+ 0 0 101 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.916 109.3 52.6 -60.2 -43.1 16.5 42.9 -57.4 18 18 A F H X S+ 0 0 42 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.928 108.6 51.3 -55.2 -48.6 18.0 45.1 -54.7 19 19 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.908 110.8 46.9 -58.3 -44.4 15.2 44.0 -52.3 20 20 A V H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 12,-0.2 0.957 113.2 49.8 -67.7 -43.6 15.9 40.3 -53.0 21 21 A D H X S+ 0 0 101 -4,-2.9 4,-1.1 1,-0.2 -2,-0.2 0.910 113.1 46.0 -60.0 -40.8 19.6 40.8 -52.6 22 22 A E H X S+ 0 0 48 -4,-2.8 4,-1.1 2,-0.2 3,-0.4 0.926 112.1 50.4 -67.1 -41.2 19.1 42.6 -49.3 23 23 A E H >X S+ 0 0 9 -4,-2.6 4,-2.6 1,-0.2 3,-0.6 0.899 104.2 59.0 -67.6 -35.3 16.7 40.0 -48.0 24 24 A N H 3< S+ 0 0 43 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.864 102.0 54.8 -63.0 -27.9 19.1 37.2 -48.9 25 25 A K H 3< S+ 0 0 152 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.848 109.4 47.8 -71.3 -29.6 21.6 38.9 -46.5 26 26 A I H << S- 0 0 99 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.928 91.1-156.6 -76.0 -48.9 19.0 38.6 -43.8 27 27 A G >< + 0 0 36 -4,-2.6 3,-2.0 3,-0.2 -3,-0.1 0.332 48.8 128.7 92.4 -3.4 18.1 35.0 -44.5 28 28 A Q T 3 S+ 0 0 158 -5,-0.3 3,-0.1 1,-0.3 -4,-0.1 0.776 84.4 33.8 -60.2 -22.5 14.6 34.8 -43.0 29 29 A Y T 3 S- 0 0 61 1,-0.5 -1,-0.3 -6,-0.2 -5,-0.1 0.030 112.4-118.3-116.1 21.7 13.2 33.2 -46.2 30 30 A G < - 0 0 43 -3,-2.0 2,-0.5 -7,-0.1 -1,-0.5 -0.263 67.5 -20.3 69.0-159.1 16.3 31.2 -47.2 31 31 A R S S- 0 0 196 -3,-0.1 2,-0.3 -4,-0.0 -7,-0.0 -0.685 71.3-169.7 -93.3 125.6 17.9 31.9 -50.5 32 32 A L - 0 0 5 -2,-0.5 2,-0.4 -12,-0.2 -8,-0.1 -0.781 12.6-156.1-112.3 154.7 15.8 33.7 -53.0 33 33 A T - 0 0 75 -2,-0.3 32,-2.6 -9,-0.0 33,-0.2 -0.998 29.7-109.0-133.0 137.7 16.2 34.5 -56.7 34 34 A F E + B 0 64A 45 -2,-0.4 30,-0.2 30,-0.2 3,-0.1 -0.380 40.1 162.7 -68.2 134.0 14.4 37.4 -58.4 35 35 A N E - 0 0 69 28,-2.5 2,-0.3 1,-0.3 29,-0.2 0.732 54.7 -32.1-115.5 -55.9 11.6 36.7 -60.8 36 36 A K E - B 0 63A 120 27,-1.7 27,-2.9 -20,-0.1 2,-0.4 -0.993 35.7-130.5-165.2 156.9 9.5 39.8 -61.4 37 37 A V E - B 0 62A 5 -2,-0.3 2,-0.3 25,-0.2 25,-0.2 -0.955 32.2-164.9-113.8 133.5 8.0 43.0 -60.2 38 38 A I E - B 0 61A 25 23,-1.7 23,-0.6 -2,-0.4 -2,-0.0 -0.812 27.7 -55.5-113.5 158.7 4.3 43.5 -60.8 39 39 A R E S+ 0 0 108 -2,-0.3 -32,-0.1 21,-0.1 2,-0.1 -0.389 96.7 55.0 -66.1 153.8 2.0 46.5 -60.7 40 40 A P E + 0 0 4 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 0.585 57.5 174.4 -87.3 148.5 1.2 48.6 -58.6 41 41 A C E -A 6 0A 1 -35,-0.6 -35,-1.9 19,-0.1 2,-0.4 -0.977 15.3-158.5-110.5 126.6 4.5 50.1 -57.6 42 42 A M E -AB 5 59A 8 17,-2.1 17,-2.5 -2,-0.5 2,-0.5 -0.862 6.8-161.0-108.6 142.5 4.1 53.1 -55.2 43 43 A K E -AB 4 58A 47 -39,-2.8 -39,-1.8 -2,-0.4 2,-0.5 -0.981 4.9-162.9-122.1 127.1 6.7 55.9 -54.6 44 44 A K E -AB 3 57A 23 13,-3.1 13,-1.8 -2,-0.5 2,-0.5 -0.921 4.3-156.2-103.3 130.6 6.4 58.0 -51.5 45 45 A T E -AB 2 56A 5 -43,-2.7 -43,-1.8 -2,-0.5 2,-0.4 -0.929 8.4-157.6-105.4 131.9 8.3 61.3 -51.4 46 46 A I E - B 0 55A 43 9,-2.5 8,-2.5 -2,-0.5 9,-1.3 -0.905 8.7-158.8-105.7 138.6 9.1 62.6 -47.8 47 47 A Y E - B 0 53A 87 -2,-0.4 2,-0.3 6,-0.3 6,-0.2 -0.774 8.5-173.4-116.9 159.6 9.7 66.3 -47.3 48 48 A E E > - B 0 52A 45 4,-2.8 4,-2.6 -2,-0.3 7,-0.0 -0.891 54.1 -4.6-142.1 167.8 11.5 68.1 -44.6 49 49 A N T 4 S- 0 0 143 -2,-0.3 2,-1.4 2,-0.2 5,-0.0 -0.086 130.6 -1.7 46.4-130.8 12.1 71.8 -43.6 50 50 A E T 4 S- 0 0 156 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.0 -0.695 128.1 -59.1 -96.0 86.2 10.6 74.2 -46.3 51 51 A R T 4 S+ 0 0 222 -2,-1.4 2,-0.4 1,-0.2 -1,-0.2 0.765 91.0 154.6 47.0 38.2 9.3 71.6 -48.8 52 52 A E E < -B 48 0A 83 -4,-2.6 -4,-2.8 1,-0.0 2,-0.4 -0.745 49.9-113.7 -88.2 139.5 12.9 70.1 -49.2 53 53 A I E +B 47 0A 50 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.634 33.1 179.5 -76.7 125.1 12.9 66.4 -50.3 54 54 A K E - 0 0 105 -8,-2.5 23,-2.2 -2,-0.4 24,-0.5 0.798 57.2 -60.2 -90.2 -41.5 14.4 64.3 -47.5 55 55 A G E -BC 46 76A 6 -9,-1.3 -9,-2.5 21,-0.3 -1,-0.4 -0.957 47.8-103.3-179.8-166.5 14.1 60.9 -49.3 56 56 A Y E -BC 45 75A 39 19,-2.4 19,-2.2 -2,-0.3 2,-0.3 -0.877 11.1-153.9-137.7 162.4 11.7 58.4 -50.9 57 57 A E E -BC 44 74A 37 -13,-1.8 -13,-3.1 -2,-0.3 2,-0.5 -0.991 10.8-156.8-136.8 140.1 10.2 55.0 -50.1 58 58 A Y E -BC 43 73A 5 15,-2.6 15,-2.5 -2,-0.3 2,-0.6 -0.976 3.0-155.6-120.0 129.8 9.1 52.5 -52.8 59 59 A Q E -BC 42 72A 23 -17,-2.5 -17,-2.1 -2,-0.5 2,-0.3 -0.966 24.0-178.1-107.8 118.7 6.5 49.9 -52.1 60 60 A L E - C 0 71A 0 11,-3.0 11,-2.6 -2,-0.6 2,-0.5 -0.872 31.4-144.7-122.0 149.3 6.9 46.9 -54.4 61 61 A Y E -BC 38 70A 26 -23,-0.6 -23,-1.7 -2,-0.3 2,-0.4 -0.981 33.9-175.9-105.6 123.1 5.3 43.6 -55.1 62 62 A V E -BC 37 69A 0 7,-3.0 7,-3.1 -2,-0.5 2,-0.6 -0.977 25.0-149.2-131.3 127.5 8.0 41.2 -56.0 63 63 A Y E +BC 36 68A 72 -27,-2.9 -28,-2.5 -2,-0.4 -27,-1.7 -0.821 27.1 170.7 -87.8 125.9 8.0 37.5 -57.1 64 64 A A E > S-BC 34 67A 0 3,-2.4 3,-2.1 -2,-0.6 -30,-0.2 -0.989 70.7 -8.7-140.0 128.0 11.1 35.8 -55.8 65 65 A S T 3 S- 0 0 46 -32,-2.6 -31,-0.1 -2,-0.4 -1,-0.1 0.890 129.0 -60.6 47.4 44.9 11.6 32.1 -56.1 66 66 A D T 3 S+ 0 0 139 -33,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.474 115.0 109.8 62.6 11.2 7.9 31.9 -57.2 67 67 A K E < -C 64 0A 79 -3,-2.1 -3,-2.4 -5,-0.0 2,-0.6 -0.822 67.7-125.3-111.2 150.1 6.5 33.4 -54.0 68 68 A L E +C 63 0A 7 -2,-0.3 23,-2.4 23,-0.2 2,-0.3 -0.859 32.4 179.6-104.8 124.7 5.0 37.0 -53.9 69 69 A F E -C 62 0A 0 -7,-3.1 -7,-3.0 -2,-0.6 2,-0.5 -0.828 27.5-133.4-120.8 156.4 6.4 39.4 -51.4 70 70 A R E -CD 61 88A 47 18,-2.8 18,-2.3 -2,-0.3 2,-0.4 -0.963 30.3-174.6-103.9 122.9 5.7 43.0 -50.5 71 71 A A E -CD 60 87A 0 -11,-2.6 -11,-3.0 -2,-0.5 2,-0.4 -0.955 12.6-160.4-123.9 139.0 9.1 44.9 -50.1 72 72 A D E -CD 59 86A 8 14,-2.6 13,-2.8 -2,-0.4 14,-1.4 -0.993 12.2-172.1-119.0 132.9 9.5 48.6 -49.0 73 73 A I E -CD 58 84A 0 -15,-2.5 -15,-2.6 -2,-0.4 2,-0.3 -0.943 9.8-151.4-127.3 138.8 12.8 50.4 -49.9 74 74 A S E -CD 57 83A 21 9,-2.7 9,-2.1 -2,-0.4 2,-0.4 -0.838 6.1-167.0-109.2 149.2 14.0 53.8 -48.7 75 75 A E E -CD 56 82A 12 -19,-2.2 -19,-2.4 -2,-0.3 2,-0.4 -0.977 18.2-136.4-137.4 116.9 16.3 56.0 -50.7 76 76 A D E > -C 55 0A 62 5,-2.6 4,-2.0 -2,-0.4 -21,-0.3 -0.640 10.1-142.8 -74.6 132.9 17.9 58.9 -49.0 77 77 A Y T 4 S+ 0 0 122 -23,-2.2 -22,-0.2 -2,-0.4 -1,-0.1 0.924 94.8 42.0 -65.5 -49.3 17.8 62.1 -51.2 78 78 A K T 4 S+ 0 0 163 -24,-0.5 -1,-0.2 1,-0.2 -23,-0.1 0.926 128.8 25.3 -66.4 -47.0 21.2 63.4 -50.3 79 79 A T T 4 S- 0 0 106 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.634 90.6-137.6 -91.8 -11.7 23.3 60.2 -50.3 80 80 A R < + 0 0 178 -4,-2.0 2,-0.2 1,-0.2 -3,-0.1 0.559 49.8 157.0 55.2 23.4 21.1 58.3 -52.8 81 81 A G - 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0 0 34 -23,-2.4 -23,-0.2 -2,-0.2 -2,-0.0 -0.864 34.2 -98.0-117.8 154.8 1.1 38.0 -49.8 92 92 A P - 0 0 72 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.443 50.0 -93.3 -68.8 148.5 -2.0 37.6 -52.0 93 93 A P 0 0 83 0, 0.0 -25,-0.0 0, 0.0 -32,-0.0 -0.324 360.0 360.0 -55.8 146.4 -1.7 39.3 -55.5 94 94 A P 0 0 33 0, 0.0 -55,-0.1 0, 0.0 -33,-0.0 -0.441 360.0 360.0 -78.4 360.0 -3.2 42.8 -55.6 95 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 96 1 B G 0 0 49 0, 0.0 2,-0.4 0, 0.0 45,-0.2 0.000 360.0 360.0 360.0-170.0 -6.3 45.9 -63.0 97 2 B E E -E 140 0B 81 43,-1.0 43,-2.4 2,-0.0 2,-0.4 -0.953 360.0-155.2-115.3 142.1 -5.7 49.5 -63.7 98 3 B W E +E 139 0B 30 -2,-0.4 2,-0.3 41,-0.2 41,-0.2 -0.938 20.4 162.5-127.4 136.5 -4.6 51.4 -60.6 99 4 B E E -E 138 0B 69 39,-2.1 39,-3.0 -2,-0.4 2,-0.5 -0.978 35.0-120.1-146.6 160.5 -4.8 55.0 -59.4 100 5 B I E -E 137 0B 46 -2,-0.3 2,-0.3 37,-0.2 37,-0.2 -0.880 30.5-156.7 -96.9 132.7 -4.4 57.0 -56.2 101 6 B I E -E 136 0B 27 35,-2.2 35,-0.6 -2,-0.5 2,-0.1 -0.806 20.8-106.1-108.4 155.9 -7.5 58.9 -55.3 102 7 B D - 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