==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 14-DEC-06 2O9U . COMPND 2 MOLECULE: MONELLIN CHAIN B AND MONELLIN CHAIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: DIOSCOREOPHYLLUM CUMMINSII; . AUTHOR J.R.HOBBS,S.D.MUNGER,G.L.CONN . 95 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 63.2 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 . 33 34.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 1 1.1 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 . 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 . 7 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 16.8 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 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 0 0 0 0 1 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 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 1001 X G 0 0 55 0, 0.0 2,-0.1 0, 0.0 43,-0.1 0.000 360.0 360.0 360.0 -73.4 -3.5 14.6 -1.7 2 1002 X E - 0 0 171 41,-0.1 43,-0.4 42,-0.0 2,-0.2 0.389 360.0-148.7-105.2 155.3 -4.7 13.4 -3.9 3 1003 X W + 0 0 89 41,-0.1 2,-0.3 -2,-0.1 41,-0.2 -0.482 18.7 176.6 -76.6 133.9 -5.0 9.7 -3.1 4 1004 X E E -A 43 0A 107 39,-2.6 39,-2.3 -2,-0.2 2,-0.4 -0.801 27.2-112.6-121.6-179.7 -4.9 7.2 -5.9 5 1005 X I E -A 42 0A 99 -2,-0.3 37,-0.3 37,-0.3 2,-0.2 -0.919 22.7-165.0-120.5 130.9 -4.9 3.5 -5.7 6 1006 X I E -A 41 0A 38 35,-1.4 35,-0.8 -2,-0.4 2,-0.3 -0.554 26.5-108.7-103.6 166.1 -2.2 1.1 -6.6 7 1007 X D - 0 0 104 -2,-0.2 5,-0.2 33,-0.1 2,-0.1 -0.796 35.8-107.2 -88.1 156.4 -2.5 -2.6 -7.1 8 1008 X I + 0 0 38 -2,-0.3 -1,-0.1 3,-0.1 31,-0.1 -0.365 61.4 112.2 -79.2 157.8 -1.1 -5.0 -4.7 9 1009 X G S > S- 0 0 27 -2,-0.1 4,-2.6 28,-0.0 3,-0.5 -0.972 82.5 -35.2 166.9-157.8 2.0 -7.0 -5.4 10 1010 X P H > S+ 0 0 113 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.839 131.1 57.6 -62.1 -32.0 5.5 -7.3 -4.1 11 1011 X F H > S+ 0 0 98 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.910 111.7 41.1 -60.4 -48.6 5.7 -3.6 -3.5 12 1012 X T H > S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.909 112.4 53.4 -70.9 -36.6 2.6 -3.7 -1.1 13 1013 X Q H X S+ 0 0 52 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.911 108.1 51.7 -62.8 -43.9 3.7 -6.9 0.5 14 1014 X N H X S+ 0 0 91 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.886 110.8 48.9 -57.2 -44.1 7.1 -5.3 1.3 15 1015 X L H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.875 110.0 51.3 -63.3 -42.0 5.3 -2.2 2.9 16 1016 X G H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.904 108.7 49.4 -65.1 -41.6 3.1 -4.5 4.9 17 1017 X K H X S+ 0 0 106 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.905 111.4 51.4 -63.6 -40.3 6.0 -6.4 6.3 18 1018 X F H X S+ 0 0 11 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.942 109.1 50.0 -57.8 -49.1 7.7 -3.1 7.2 19 1019 X A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.917 112.1 47.1 -60.5 -44.0 4.6 -1.9 9.0 20 1020 X V H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 12,-0.3 0.920 112.4 49.5 -64.8 -46.0 4.3 -5.1 11.1 21 1021 X D H X S+ 0 0 110 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.889 113.3 46.5 -58.4 -46.9 8.0 -5.0 12.0 22 1022 X E H X S+ 0 0 51 -4,-2.5 4,-1.3 -5,-0.2 3,-0.3 0.965 113.3 47.7 -66.0 -39.3 7.8 -1.4 13.0 23 1023 X E H >X S+ 0 0 10 -4,-2.7 4,-1.9 1,-0.3 3,-0.5 0.909 107.1 57.0 -69.2 -35.5 4.5 -1.9 15.1 24 1024 X N H 3< S+ 0 0 37 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.899 102.4 56.0 -58.6 -40.3 6.0 -4.9 16.8 25 1025 X K H 3< S+ 0 0 164 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.818 106.9 50.8 -54.3 -40.8 9.0 -2.6 17.9 26 1026 X I H << S- 0 0 94 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.860 94.6-151.8 -70.5 -41.9 6.4 -0.3 19.6 27 1027 X G >< + 0 0 43 -4,-1.9 3,-1.7 3,-0.2 -3,-0.1 0.283 57.8 118.4 97.7 -15.5 4.7 -3.1 21.5 28 1028 X Q T 3 S+ 0 0 160 -5,-0.3 3,-0.1 1,-0.3 -4,-0.1 0.716 84.9 37.9 -70.1 -15.2 1.1 -1.8 21.8 29 1029 X Y T 3 S- 0 0 75 1,-0.5 -1,-0.3 -6,-0.3 -5,-0.1 0.181 110.2-123.0-112.5 16.3 -0.5 -4.8 19.8 30 1030 X G < - 0 0 41 -3,-1.7 2,-0.6 -7,-0.1 -1,-0.5 -0.349 62.5 -28.5 66.9-163.0 1.9 -7.5 21.2 31 1031 X R S S- 0 0 190 -3,-0.1 2,-0.3 -4,-0.1 -10,-0.1 -0.785 70.7-163.2 -85.0 122.7 3.9 -9.5 18.6 32 1032 X L - 0 0 11 -2,-0.6 2,-0.5 -12,-0.3 -8,-0.1 -0.788 11.7-141.7-107.0 148.5 2.1 -9.6 15.3 33 1033 X T - 0 0 74 -2,-0.3 34,-2.7 -9,-0.0 35,-0.4 -0.941 25.4-121.3-112.5 118.2 2.8 -12.1 12.4 34 1034 X F E + B 0 66A 42 -2,-0.5 32,-0.3 32,-0.2 3,-0.1 -0.298 39.2 162.8 -58.9 135.3 2.5 -10.6 8.9 35 1035 X N E - 0 0 58 30,-2.9 2,-0.3 1,-0.2 31,-0.2 0.740 52.7 -36.3-114.2 -56.1 -0.0 -12.4 6.7 36 1036 X K E - B 0 65A 96 29,-1.4 29,-3.1 -20,-0.1 2,-0.5 -0.946 36.6-127.9-172.7 144.2 -1.0 -10.3 3.7 37 1037 X V E - B 0 64A 0 -2,-0.3 2,-0.2 27,-0.2 27,-0.2 -0.923 36.3-165.4-103.3 127.0 -1.7 -6.8 2.3 38 1038 X I E - B 0 63A 35 25,-1.7 25,-0.7 -2,-0.5 -2,-0.0 -0.658 24.8 -55.2-104.9 164.5 -5.1 -6.6 0.5 39 1039 X R E S+ 0 0 156 -2,-0.2 2,-0.1 1,-0.1 -32,-0.1 -0.579 97.8 61.2 -71.1 148.9 -6.8 -4.2 -1.8 40 1040 X P E + 0 0 40 0, 0.0 2,-0.4 0, 0.0 23,-0.2 0.413 59.3 160.5 -86.3 136.6 -7.4 -1.3 -1.6 41 1041 X C E -A 6 0A 0 -35,-0.8 -35,-1.4 21,-0.1 2,-0.3 -0.911 16.4-174.8-104.1 146.5 -3.9 0.2 -1.3 42 1042 X M E -AB 5 61A 48 19,-1.7 19,-2.1 -2,-0.4 2,-0.3 -0.932 10.2-158.1-143.2 164.5 -3.6 3.8 -2.2 43 1043 X K E -AB 4 60A 53 -39,-2.3 -39,-2.6 -2,-0.3 2,-0.3 -0.986 5.8-173.9-142.7 142.3 -0.8 6.4 -2.5 44 1044 X K E - B 0 59A 55 15,-2.3 15,-2.7 -2,-0.3 2,-0.3 -0.986 29.0-108.5-141.1 156.2 -0.4 10.1 -2.4 45 1045 X T E - B 0 58A 37 -43,-0.4 2,-0.6 -2,-0.3 13,-0.3 -0.632 20.7-149.7 -84.1 134.8 2.3 12.6 -3.0 46 1046 X I E - B 0 57A 40 11,-2.8 10,-2.2 -2,-0.3 11,-1.9 -0.949 19.4-154.0-101.3 114.5 3.9 14.4 -0.0 47 1047 X Y E - B 0 55A 114 -2,-0.6 8,-0.3 8,-0.3 7,-0.1 -0.618 18.2-109.5 -90.6 150.0 5.0 17.9 -1.2 48 1048 X E - 0 0 50 6,-2.1 3,-0.1 -2,-0.2 -1,-0.1 -0.362 15.9-141.3 -63.6 158.8 7.8 19.8 0.4 49 1049 X N S S- 0 0 158 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.471 76.9 -11.1 -98.7 -6.5 6.8 23.0 2.3 50 1050 X E S S+ 0 0 167 3,-0.2 3,-0.3 4,-0.0 -1,-0.2 -0.951 92.5 59.0-174.6 169.8 9.8 25.0 1.1 51 1051 X G S S- 0 0 70 -2,-0.3 -3,-0.0 1,-0.2 0, 0.0 -0.310 90.9 -52.0 92.5-170.2 13.1 24.8 -0.6 52 1052 X F S S+ 0 0 219 -2,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.591 106.0 81.8 -85.9 -11.3 14.3 23.7 -4.0 53 1053 X R - 0 0 103 -3,-0.3 -3,-0.2 1,-0.1 -5,-0.1 -0.834 58.2-160.7-101.1 138.1 12.8 20.3 -4.1 54 1054 X E S S+ 0 0 133 -2,-0.4 -6,-2.1 1,-0.1 2,-0.5 0.891 73.9 47.6 -76.6 -50.4 9.2 19.8 -5.1 55 1055 X I E -B 47 0A 29 -8,-0.3 -8,-0.3 1,-0.1 -1,-0.1 -0.864 50.1-175.3-110.0 122.0 8.4 16.4 -3.7 56 1056 X K E - 0 0 87 -10,-2.2 23,-3.2 -2,-0.5 24,-0.5 0.859 61.6 -82.0 -75.1 -40.7 9.2 15.2 -0.2 57 1057 X G E -BC 46 78A 0 -11,-1.9 -11,-2.8 21,-0.3 2,-0.3 -0.957 49.6 -67.8 167.7-151.7 8.0 11.7 -0.8 58 1058 X Y E -BC 45 77A 53 19,-2.1 19,-2.6 -2,-0.3 2,-0.4 -0.931 25.6-144.3-135.3 151.4 4.9 9.5 -0.9 59 1059 X E E -BC 44 76A 21 -15,-2.7 -15,-2.3 -2,-0.3 2,-0.4 -0.981 14.7-164.1-116.4 138.8 2.4 8.3 1.7 60 1060 X Y E -BC 43 75A 7 15,-2.9 15,-2.4 -2,-0.4 2,-0.5 -0.940 5.7-160.6-119.8 136.8 0.8 4.8 1.4 61 1061 X Q E -BC 42 74A 73 -19,-2.1 -19,-1.7 -2,-0.4 2,-0.3 -0.987 22.3-179.4-120.3 126.1 -2.2 3.7 3.3 62 1062 X L E - 0 0 5 11,-3.0 2,-0.5 -2,-0.5 -21,-0.1 -0.906 32.9-136.7-126.7 150.6 -2.6 -0.1 3.5 63 1063 X Y E -B 38 0A 64 -25,-0.7 -25,-1.7 -2,-0.3 2,-0.4 -0.954 35.5-178.5 -97.5 123.7 -4.9 -2.8 4.8 64 1064 X V E -B 37 0A 0 7,-2.7 7,-2.8 -2,-0.5 2,-0.5 -0.986 22.6-147.3-131.1 125.2 -2.7 -5.4 6.4 65 1065 X Y E +BD 36 70A 78 -29,-3.1 -30,-2.9 -2,-0.4 -29,-1.4 -0.764 26.0 167.9 -83.2 131.5 -3.6 -8.7 8.0 66 1066 X A E > S+BD 34 69A 0 3,-2.5 3,-1.8 -2,-0.5 -32,-0.2 -0.986 70.6 0.3-144.3 134.2 -1.3 -9.7 10.8 67 1067 X S T 3 S- 0 0 47 -34,-2.7 -33,-0.1 -2,-0.3 3,-0.1 0.851 130.3 -63.6 50.5 37.8 -2.0 -12.5 13.3 68 1068 X D T 3 S+ 0 0 132 -35,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.671 115.6 110.4 60.5 28.7 -5.2 -13.0 11.3 69 1069 X K E < -D 66 0A 102 -3,-1.8 -3,-2.5 -5,-0.1 2,-0.5 -0.941 68.0-120.7-128.9 148.9 -6.5 -9.6 12.2 70 1070 X L E D 65 0A 8 -2,-0.3 23,-2.3 -5,-0.2 -5,-0.2 -0.801 360.0 360.0 -98.0 127.4 -7.0 -6.6 9.8 71 1071 X F 0 0 9 -7,-2.8 -7,-2.7 -2,-0.5 20,-0.2 -0.801 360.0 360.0-124.8 360.0 -5.1 -3.3 10.5 72 ! 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 73 1073 X A 0 0 14 0, 0.0 -11,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 144.1 -1.3 1.4 8.3 74 1074 X D E +CE 61 88A 10 14,-2.4 13,-2.6 -13,-0.2 14,-1.6 -0.981 360.0 179.9-115.7 128.2 0.1 4.7 7.0 75 1075 X I E -CE 60 86A 0 -15,-2.4 -15,-2.9 -2,-0.4 2,-0.3 -0.988 13.1-154.0-131.0 133.8 3.7 4.7 5.8 76 1076 X S E -CE 59 85A 20 9,-2.3 9,-2.1 -2,-0.4 2,-0.4 -0.789 4.5-160.8-100.6 153.3 5.7 7.5 4.4 77 1077 X E E -CE 58 84A 27 -19,-2.6 -19,-2.1 -2,-0.3 2,-0.3 -0.992 19.1-127.0-131.7 132.9 8.6 7.1 2.1 78 1078 X D E > -C 57 0A 44 5,-2.8 4,-1.7 -2,-0.4 -21,-0.3 -0.523 5.6-147.1 -80.5 133.7 11.2 9.9 1.5 79 1079 X Y T 4 S+ 0 0 137 -23,-3.2 -22,-0.2 -2,-0.3 -1,-0.1 0.925 98.8 40.8 -62.4 -46.9 11.9 10.9 -2.1 80 1080 X K T 4 S+ 0 0 135 -24,-0.5 -1,-0.2 1,-0.2 -23,-0.1 0.840 130.0 25.0 -78.8 -38.7 15.7 11.7 -1.4 81 1081 X T T 4 S- 0 0 79 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.637 86.1-135.2 -95.1 -21.3 16.5 8.7 1.0 82 1082 X R < + 0 0 189 -4,-1.7 2,-0.3 1,-0.2 -3,-0.1 0.988 56.9 151.4 26.4 64.4 14.0 6.1 -0.0 83 1083 X G - 0 0 30 -5,-0.2 -5,-2.8 2,-0.0 2,-0.3 -0.913 35.5-140.5-105.8 142.9 13.6 5.8 3.8 84 1084 X R E -E 77 0A 105 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.817 14.2-169.6-109.2 147.2 10.3 4.6 5.3 85 1085 X K E -E 76 0A 135 -9,-2.1 -9,-2.3 -2,-0.3 2,-0.8 -0.999 23.1-133.6-130.8 136.6 8.4 5.7 8.4 86 1086 X L E +E 75 0A 24 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.818 29.2 174.4 -83.5 111.8 5.4 4.1 10.0 87 1087 X L E + 0 0 73 -13,-2.6 2,-0.3 -2,-0.8 -12,-0.2 0.790 61.5 3.9 -84.2 -39.7 3.1 7.1 10.6 88 1088 X R E -E 74 0A 120 -14,-1.6 -14,-2.4 -3,-0.1 -1,-0.3 -0.985 50.4-179.2-152.9 144.6 0.1 5.2 11.9 89 1089 X F + 0 0 12 -2,-0.3 2,-0.3 -16,-0.2 -3,-0.0 -0.925 19.9 162.1-151.0 120.5 -1.1 1.8 12.7 90 1090 X N - 0 0 95 -2,-0.3 3,-0.2 3,-0.0 -2,-0.0 -0.988 20.5 -45.1-142.1 142.4 -4.7 1.0 13.9 91 1091 X G - 0 0 20 -2,-0.3 -20,-0.2 1,-0.3 2,-0.2 -0.932 56.1 -66.0 163.9-172.7 -7.1 -1.8 14.3 92 1092 X P + 0 0 78 0, 0.0 -1,-0.3 0, 0.0 -21,-0.2 0.401 69.6 175.6 -67.8 148.7 -8.7 -4.2 14.0 93 1093 X V - 0 0 45 -23,-2.3 -23,-0.2 -3,-0.2 -3,-0.0 -0.909 33.2 -94.3-124.9 156.0 -10.7 -2.4 11.2 94 1094 X P - 0 0 100 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.311 47.0 -97.2 -72.8 147.8 -13.3 -3.6 9.1 95 1095 X P 0 0 84 0, 0.0 -25,-0.0 0, 0.0 0, 0.0 -0.091 360.0 360.0 -56.8 158.9 -12.6 -4.9 5.9 96 1096 X P 0 0 105 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.860 360.0 360.0 -78.2 360.0 -12.9 -2.8 2.9