==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 15-MAR-02 1IV9 . COMPND 2 MOLECULE: MONELLIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DIOSCOREOPHYLLUM CUMMINSII; . AUTHOR T.TAMADA,Y.KATO,R.KUROKI . 188 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11155.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 70.7 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 . 78 41.5 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 . 0 0.0 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 . 15 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 3.7 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 0 0 2 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 4 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 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 86 0, 0.0 2,-0.4 0, 0.0 45,-0.2 0.000 360.0 360.0 360.0-148.2 15.8 31.6 2.8 2 2 A E E -A 45 0A 93 43,-1.5 43,-2.8 2,-0.0 2,-0.3 -0.991 360.0-167.7-128.6 133.1 13.1 28.9 2.9 3 3 A W E +A 44 0A 35 -2,-0.4 2,-0.3 41,-0.2 41,-0.2 -0.881 10.6 166.6-122.4 145.0 13.7 25.3 4.0 4 4 A E E -A 43 0A 74 39,-1.9 39,-2.9 -2,-0.3 2,-0.4 -0.980 34.2-113.7-150.7 161.1 11.7 22.2 3.7 5 5 A I E -A 42 0A 55 -2,-0.3 2,-0.3 37,-0.2 37,-0.2 -0.841 30.2-169.2 -96.2 134.9 12.2 18.4 4.1 6 6 A I E -A 41 0A 32 35,-2.0 35,-0.9 -2,-0.4 -2,-0.0 -0.882 19.9-115.5-120.1 156.0 11.8 16.3 1.0 7 7 A D - 0 0 90 -2,-0.3 -1,-0.1 33,-0.1 5,-0.1 0.022 26.8-101.5 -83.1-168.9 11.6 12.5 0.8 8 8 A I + 0 0 26 4,-0.1 29,-0.2 3,-0.1 -1,-0.1 -0.084 65.4 135.3-118.0 40.8 13.9 9.9 -0.8 9 9 A G S >> S- 0 0 31 3,-0.1 4,-2.8 1,-0.1 3,-0.5 0.104 76.2 -72.1 -68.7-174.0 12.1 9.0 -3.9 10 10 A P H 3> S+ 0 0 102 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.842 130.7 57.4 -58.0 -36.4 13.8 8.6 -7.3 11 11 A F H 3> S+ 0 0 101 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.953 112.3 42.4 -59.4 -44.3 14.3 12.3 -7.8 12 12 A T H <> S+ 0 0 7 -3,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.888 111.7 53.0 -71.2 -35.1 16.3 12.5 -4.6 13 13 A Q H X S+ 0 0 36 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.905 107.5 53.8 -67.7 -34.1 18.2 9.3 -5.3 14 14 A N H X S+ 0 0 90 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.808 103.3 55.1 -70.9 -27.5 19.2 10.8 -8.7 15 15 A L H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.888 108.9 50.6 -67.1 -41.0 20.6 13.9 -6.9 16 16 A G H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.955 109.2 47.9 -59.3 -47.7 22.7 11.5 -4.9 17 17 A K H X S+ 0 0 117 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.922 109.7 54.9 -63.2 -39.5 23.9 9.7 -8.0 18 18 A F H X S+ 0 0 40 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.926 108.1 49.7 -54.6 -45.4 24.7 13.1 -9.5 19 19 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.931 111.5 46.0 -67.3 -41.4 26.8 14.0 -6.5 20 20 A V H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.951 112.7 50.7 -68.4 -42.2 28.9 10.8 -6.5 21 21 A D H X S+ 0 0 78 -4,-2.5 4,-0.6 -5,-0.2 -1,-0.2 0.915 112.8 46.6 -58.5 -44.8 29.5 11.0 -10.3 22 22 A E H >X S+ 0 0 50 -4,-2.4 3,-1.3 -5,-0.2 4,-0.6 0.930 112.3 50.2 -61.6 -48.2 30.7 14.6 -10.0 23 23 A E H >X S+ 0 0 12 -4,-2.7 3,-1.5 1,-0.3 4,-1.5 0.905 102.8 59.9 -62.0 -36.0 32.9 13.8 -7.0 24 24 A N H 3< S+ 0 0 37 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.694 96.6 63.1 -63.5 -21.4 34.5 10.8 -8.9 25 25 A K H << S+ 0 0 154 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.769 102.5 49.8 -71.7 -26.3 35.7 13.3 -11.6 26 26 A I H << S- 0 0 96 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.2 0.883 88.5-158.0 -81.1 -44.8 37.8 15.0 -8.9 27 27 A G < + 0 0 53 -4,-1.5 -3,-0.1 3,-0.1 4,-0.1 0.625 52.5 123.5 78.0 17.5 39.4 11.9 -7.7 28 28 A Q S S+ 0 0 167 -5,-0.4 2,-0.3 2,-0.1 -4,-0.1 0.811 74.0 49.7 -76.7 -33.7 40.4 13.2 -4.2 29 29 A Y S S- 0 0 72 -6,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.743 108.5 -93.4 -93.0 153.3 38.4 10.4 -2.6 30 30 A G - 0 0 58 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.1 -0.226 69.2 -63.6 -58.0 159.5 39.0 6.8 -3.8 31 31 A R - 0 0 194 -4,-0.1 2,-0.4 1,-0.1 -1,-0.2 -0.230 61.5-146.3 -50.8 132.0 36.5 5.7 -6.5 32 32 A L - 0 0 6 -12,-0.2 2,-0.6 -3,-0.1 -8,-0.1 -0.871 10.6-155.2-114.1 137.4 33.0 5.8 -5.1 33 33 A T - 0 0 84 -2,-0.4 34,-2.7 -12,-0.0 35,-0.3 -0.947 29.1-120.5-107.9 117.6 30.1 3.5 -6.0 34 34 A F E + B 0 66A 58 -2,-0.6 32,-0.3 32,-0.2 3,-0.1 -0.374 37.7 167.7 -57.1 129.1 26.7 5.1 -5.3 35 35 A N E - 0 0 68 30,-2.5 2,-0.3 1,-0.2 31,-0.2 0.728 51.8 -54.7-107.1 -63.7 24.6 3.1 -2.8 36 36 A K E - B 0 65A 112 29,-1.3 29,-2.4 -20,-0.1 2,-0.4 -0.989 36.9-110.5-171.8 158.1 21.6 5.2 -1.7 37 37 A V E - B 0 64A 0 -2,-0.3 2,-0.2 27,-0.2 27,-0.2 -0.864 36.9-163.4 -93.5 141.2 20.3 8.5 -0.3 38 38 A I E - B 0 63A 35 25,-1.8 25,-0.6 -2,-0.4 -2,-0.0 -0.686 26.5 -50.2-117.0 166.8 18.8 8.4 3.2 39 39 A R E S+ 0 0 126 -2,-0.2 2,-0.1 23,-0.1 -1,-0.1 -0.459 97.9 49.5 -70.8 153.2 16.6 10.7 5.3 40 40 A P E + 0 0 4 0, 0.0 2,-0.4 0, 0.0 23,-0.1 0.604 59.4 173.2 -96.0 154.5 16.6 13.4 6.0 41 41 A C E -A 6 0A 0 -35,-0.9 -35,-2.0 21,-0.1 2,-0.4 -0.968 17.0-153.8-115.9 127.9 17.1 15.5 2.8 42 42 A M E -AB 5 61A 11 19,-2.1 19,-2.5 -2,-0.4 2,-0.5 -0.854 6.1-163.9-107.3 143.1 16.8 19.3 3.1 43 43 A K E -AB 4 60A 42 -39,-2.9 -39,-1.9 -2,-0.4 2,-0.4 -0.978 4.0-164.7-126.4 124.4 15.8 21.6 0.2 44 44 A K E -AB 3 59A 29 15,-2.8 15,-2.0 -2,-0.5 2,-0.5 -0.925 9.4-148.6-110.7 134.8 16.4 25.3 0.4 45 45 A T E -AB 2 58A 7 -43,-2.8 -43,-1.5 -2,-0.4 2,-0.5 -0.921 12.4-154.4-102.6 125.5 14.7 27.8 -2.0 46 46 A I E - B 0 57A 50 11,-2.8 10,-3.0 -2,-0.5 11,-1.7 -0.889 8.9-154.9-104.3 124.4 16.8 30.8 -2.7 47 47 A Y E - B 0 55A 78 -2,-0.5 8,-0.2 8,-0.2 4,-0.1 -0.745 26.0 -97.5-100.1 149.7 15.0 34.0 -3.8 48 48 A E - 0 0 70 6,-3.1 6,-0.2 -2,-0.3 5,-0.1 -0.231 34.8-120.8 -57.5 148.6 16.3 36.9 -5.8 49 49 A E S S+ 0 0 203 1,-0.1 2,-0.3 3,-0.1 -1,-0.1 0.945 98.3 35.6 -59.3 -46.9 17.4 39.8 -3.6 50 50 A N S S+ 0 0 149 2,-0.1 2,-0.2 3,-0.0 4,-0.1 -0.800 99.0 50.7-109.4 144.3 15.0 42.2 -5.2 51 51 A G S S- 0 0 52 -2,-0.3 2,-0.6 2,-0.1 -4,-0.0 -0.514 87.5 -78.2 117.0 171.9 11.5 41.3 -6.3 52 52 A F S S- 0 0 154 -2,-0.2 3,-0.1 1,-0.1 -2,-0.1 -0.967 98.4 -26.9-117.5 115.5 8.8 39.5 -4.7 53 53 A R S S+ 0 0 179 -2,-0.6 2,-0.8 1,-0.2 -1,-0.1 0.767 82.3 157.2 52.9 34.0 9.0 35.7 -4.5 54 54 A E - 0 0 114 -6,-0.2 -6,-3.1 -4,-0.1 2,-0.3 -0.817 38.2-135.4 -86.6 116.8 11.2 35.4 -7.6 55 55 A I E +B 47 0A 35 -2,-0.8 -8,-0.2 -8,-0.2 3,-0.1 -0.567 25.7 179.4 -75.4 128.2 13.1 32.1 -7.3 56 56 A K E - 0 0 110 -10,-3.0 23,-1.9 -2,-0.3 24,-0.4 0.811 59.4 -62.1 -90.6 -40.9 16.8 32.2 -8.1 57 57 A G E -BC 46 78A 6 -11,-1.7 -11,-2.8 21,-0.2 -1,-0.3 -0.987 46.4-100.9 177.0-172.8 17.5 28.5 -7.5 58 58 A Y E -BC 45 77A 24 19,-2.6 19,-2.4 -2,-0.3 2,-0.4 -0.931 14.4-154.6-132.5 164.1 17.6 25.7 -4.9 59 59 A E E -BC 44 76A 37 -15,-2.0 -15,-2.8 -2,-0.3 2,-0.4 -0.986 11.3-156.9-136.0 142.3 20.2 23.9 -2.9 60 60 A Y E -BC 43 75A 5 15,-2.9 15,-2.6 -2,-0.4 2,-0.6 -0.973 3.3-154.8-124.9 134.2 19.8 20.4 -1.6 61 61 A Q E -BC 42 74A 21 -19,-2.5 -19,-2.1 -2,-0.4 2,-0.3 -0.963 24.2-174.2-111.7 117.8 21.6 18.9 1.4 62 62 A L E - C 0 73A 0 11,-3.1 11,-2.2 -2,-0.6 2,-0.6 -0.853 31.0-146.9-117.0 152.7 22.0 15.2 1.2 63 63 A Y E -BC 38 72A 23 -25,-0.6 -25,-1.8 -2,-0.3 2,-0.4 -0.970 35.0-176.0-108.8 117.0 23.2 12.2 3.2 64 64 A V E -BC 37 71A 0 7,-3.3 7,-3.6 -2,-0.6 2,-0.5 -0.982 23.5-149.5-129.2 128.6 24.6 9.8 0.7 65 65 A Y E +BC 36 70A 75 -29,-2.4 -30,-2.5 -2,-0.4 -29,-1.3 -0.827 27.0 165.0 -87.7 126.9 26.0 6.2 1.1 66 66 A A E > -BC 34 69A 0 3,-2.1 3,-1.7 -2,-0.5 -32,-0.2 -0.976 69.7 -2.0-145.4 134.0 28.7 5.5 -1.4 67 67 A S T 3 S- 0 0 37 -34,-2.7 -33,-0.1 -2,-0.3 -1,-0.1 0.918 129.9 -63.3 47.6 44.0 31.1 2.5 -1.2 68 68 A D T 3 S+ 0 0 135 -35,-0.3 2,-0.3 1,-0.1 -1,-0.3 0.593 115.0 104.0 63.7 17.6 29.4 1.8 2.1 69 69 A K E < -C 66 0A 103 -3,-1.7 -3,-2.1 -5,-0.0 2,-0.5 -0.899 69.7-115.9-128.7 156.7 30.4 5.0 3.9 70 70 A L E +C 65 0A 8 -2,-0.3 23,-2.2 23,-0.2 2,-0.3 -0.812 34.0 175.5-103.3 126.0 28.2 8.0 4.6 71 71 A F E -C 64 0A 2 -7,-3.6 -7,-3.3 -2,-0.5 2,-0.5 -0.843 27.5-131.5-124.3 165.5 28.9 11.4 3.1 72 72 A R E -CD 63 90A 47 18,-2.7 18,-2.4 -2,-0.3 2,-0.4 -0.959 27.9-176.9-112.7 129.1 27.2 14.8 3.1 73 73 A A E -CD 62 89A 0 -11,-2.2 -11,-3.1 -2,-0.5 2,-0.4 -0.974 13.4-156.3-126.9 139.1 26.8 16.4 -0.3 74 74 A D E -CD 61 88A 15 14,-2.4 13,-2.6 -2,-0.4 14,-1.3 -0.957 15.2-171.3-113.3 134.6 25.3 19.9 -1.1 75 75 A I E -CD 60 86A 0 -15,-2.6 -15,-2.9 -2,-0.4 2,-0.3 -0.968 10.8-151.7-128.5 138.1 24.0 20.4 -4.6 76 76 A S E -CD 59 85A 28 9,-2.7 9,-1.9 -2,-0.4 2,-0.4 -0.788 8.2-169.4-104.0 150.8 22.8 23.6 -6.3 77 77 A E E -CD 58 84A 9 -19,-2.4 -19,-2.6 -2,-0.3 2,-0.3 -0.974 20.9-131.6-139.0 121.2 20.2 23.7 -9.1 78 78 A D E > -C 57 0A 67 5,-2.2 4,-1.5 -2,-0.4 -21,-0.2 -0.553 12.6-140.8 -69.8 136.5 19.5 26.8 -11.1 79 79 A Y T 4 S+ 0 0 89 -23,-1.9 -22,-0.2 -2,-0.3 -1,-0.1 0.899 93.4 48.0 -70.7 -37.2 15.8 27.7 -11.4 80 80 A K T 4 S+ 0 0 168 -24,-0.4 -1,-0.2 1,-0.2 -23,-0.1 0.896 131.5 12.7 -73.0 -45.3 15.7 28.9 -15.0 81 81 A T T 4 S- 0 0 110 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.504 91.5-130.2-109.9 -8.5 17.6 26.1 -16.7 82 82 A R < + 0 0 124 -4,-1.5 2,-0.2 1,-0.2 -3,-0.1 0.746 47.6 160.6 63.6 27.9 17.7 23.5 -14.0 83 83 A G - 0 0 39 -5,-0.0 -5,-2.2 1,-0.0 2,-0.3 -0.490 27.7-141.2 -72.9 148.4 21.4 22.9 -14.3 84 84 A R E -D 77 0A 74 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.881 18.2-175.4-119.2 151.2 23.1 21.3 -11.3 85 85 A K E -D 76 0A 145 -9,-1.9 -9,-2.7 -2,-0.3 2,-0.7 -0.999 27.5-126.2-139.7 138.0 26.4 21.8 -9.6 86 86 A L E -D 75 0A 32 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.751 26.7-179.5 -78.6 122.2 28.1 19.9 -6.7 87 87 A L E - 0 0 74 -13,-2.6 2,-0.3 -2,-0.7 -1,-0.2 0.864 62.6 -10.0 -88.6 -43.5 29.0 22.5 -4.1 88 88 A R E -D 74 0A 127 -14,-1.3 -14,-2.4 2,-0.0 2,-0.3 -0.993 48.1-168.6-156.0 156.2 30.6 20.3 -1.4 89 89 A F E +D 73 0A 10 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.929 24.3 164.4-151.1 113.8 31.1 16.7 -0.6 90 90 A N E -D 72 0A 86 -18,-2.4 -18,-2.7 -2,-0.3 3,-0.2 -0.954 20.4 -9.8-136.8 153.3 32.5 15.7 2.9 91 91 A G - 0 0 22 -2,-0.3 2,-0.2 1,-0.2 -20,-0.1 -0.850 53.1-101.9 148.2-167.4 32.9 12.8 5.1 92 92 A P - 0 0 82 0, 0.0 -1,-0.2 0, 0.0 -21,-0.2 0.397 66.8-178.1 -66.8 152.8 32.5 10.2 6.2 93 93 A V - 0 0 38 -23,-2.2 -23,-0.2 -2,-0.2 -2,-0.0 -0.831 31.7 -91.9-119.9 163.2 30.1 11.7 8.7 94 94 A P - 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