==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SWEET-TASTING PROTEIN 04-MAR-97 4MON . COMPND 2 MOLECULE: MONELLIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DIOSCOREOPHYLLUM CUMMINSII; . AUTHOR G.BUJACZ,A.WLODAWER . 188 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11379.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 63.8 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 . 70 37.2 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 . 2 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 . 10 5.3 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 . 30 16.0 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 1 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 . 2 1 4 0 3 2 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 1 0 0 1 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 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 2 A R 0 0 174 0, 0.0 92,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-154.2 52.8 58.8 -6.7 2 3 A E + 0 0 97 1,-0.1 91,-1.7 90,-0.1 2,-0.4 0.711 360.0 102.1-131.8 -45.1 50.6 56.7 -4.4 3 4 A I E +A 92 0A 27 89,-0.2 89,-0.3 1,-0.2 3,-0.1 -0.347 38.2 178.2 -58.6 110.7 50.1 57.8 -0.8 4 5 A K E - 0 0 71 87,-2.0 23,-1.9 -2,-0.4 2,-0.3 0.967 47.9 -65.7 -79.6 -58.3 46.7 59.4 -0.5 5 6 A G E -AB 91 26A 4 86,-0.9 86,-2.6 21,-0.2 2,-0.2 -0.910 47.2 -88.7-170.4-160.7 46.4 60.3 3.1 6 7 A Y E -AB 90 25A 31 19,-3.5 19,-1.9 -2,-0.3 2,-0.3 -0.731 15.2-152.0-129.5 178.6 46.1 59.1 6.7 7 8 A E E -AB 89 24A 23 82,-1.1 82,-3.4 -2,-0.2 2,-0.4 -0.881 6.5-158.5-159.8 122.3 43.6 58.1 9.3 8 9 A Y E -AB 88 23A 3 15,-2.4 15,-2.0 -2,-0.3 2,-0.5 -0.881 3.7-169.8-108.2 135.4 43.9 58.3 13.1 9 10 A Q E +AB 87 22A 21 78,-1.6 78,-1.4 -2,-0.4 13,-0.2 -0.868 23.7 171.3-121.9 80.7 41.8 56.1 15.4 10 11 A L - 0 0 0 11,-1.2 2,-0.4 -2,-0.5 11,-0.1 -0.207 34.0-130.9 -87.4-175.8 42.2 57.5 18.8 11 12 A Y - 0 0 50 72,-0.4 72,-1.2 9,-0.2 2,-0.5 -0.975 30.6-165.0-134.9 116.0 40.6 56.7 22.1 12 13 A V E -FG 19 82B 0 7,-3.2 7,-3.0 -2,-0.4 2,-0.7 -0.967 17.9-154.1-118.5 123.8 39.5 60.0 23.8 13 14 A Y E +FG 18 81B 75 68,-2.2 67,-1.8 -2,-0.5 68,-1.5 -0.849 31.9 160.3 -89.1 118.4 38.5 60.5 27.4 14 15 A A E > +FG 17 79B 0 3,-2.4 3,-1.6 -2,-0.7 65,-0.2 -0.994 67.2 3.7-137.4 132.7 36.2 63.6 27.3 15 16 A S T 3 S- 0 0 38 63,-1.5 -1,-0.1 -2,-0.3 64,-0.1 0.958 129.8 -67.6 54.8 41.8 33.7 64.6 30.0 16 17 A D T 3 S+ 0 0 127 62,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.677 114.7 108.1 48.7 26.7 35.1 61.6 31.8 17 18 A K E < S-F 14 0B 105 -3,-1.6 -3,-2.4 -5,-0.1 2,-0.6 -0.972 72.0-118.3-129.3 143.1 33.7 59.1 29.3 18 19 A L E +F 13 0B 8 23,-0.5 23,-2.4 -2,-0.3 2,-0.3 -0.767 37.3 174.0 -88.9 117.6 35.8 57.1 26.8 19 20 A F E -F 12 0B 1 -7,-3.0 -7,-3.2 -2,-0.6 2,-0.5 -0.752 22.6-139.0-114.6 165.1 34.9 57.9 23.2 20 21 A R E - C 0 38A 59 18,-1.2 18,-1.1 -2,-0.3 2,-0.2 -0.938 22.9-177.1-137.3 112.9 36.6 56.7 20.0 21 22 A A E - C 0 37A 0 -2,-0.5 -11,-1.2 16,-0.2 2,-0.4 -0.693 17.8-150.0-107.9 160.3 37.0 59.0 17.1 22 23 A D E -BC 9 36A 0 14,-1.7 14,-1.5 -2,-0.2 13,-0.6 -0.956 11.8-167.8-136.3 113.6 38.4 58.7 13.6 23 24 A I E -B 8 0A 0 -15,-2.0 -15,-2.4 -2,-0.4 2,-0.2 -0.870 9.6-149.9-101.0 127.3 40.1 61.6 12.0 24 25 A S E -B 7 0A 24 -2,-0.5 9,-0.7 9,-0.3 2,-0.3 -0.642 13.4-166.2 -90.0 152.1 40.8 61.6 8.3 25 26 A E E -BD 6 32A 6 -19,-1.9 -19,-3.5 -2,-0.2 2,-0.3 -0.916 17.6-130.0-147.1 119.5 43.9 63.6 7.1 26 27 A D E > -B 5 0A 58 5,-2.3 4,-1.6 -2,-0.3 -21,-0.2 -0.509 11.6-140.4 -68.8 125.0 44.7 64.5 3.5 27 28 A Y T 4 S+ 0 0 79 -23,-1.9 -22,-0.2 -2,-0.3 -1,-0.1 0.376 98.1 34.0 -70.2 9.5 48.3 63.7 2.5 28 29 A K T 4 S+ 0 0 134 -24,-0.1 -1,-0.2 3,-0.1 -23,-0.1 0.679 126.6 29.5-128.5 -48.4 48.5 67.0 0.5 29 30 A T T 4 S- 0 0 99 2,-0.1 -2,-0.1 1,-0.0 3,-0.1 0.579 89.1-141.6 -90.4 -9.0 46.5 69.7 2.1 30 31 A R < + 0 0 122 -4,-1.6 2,-0.1 1,-0.2 -3,-0.1 0.706 55.4 139.3 55.3 22.3 47.1 68.2 5.5 31 32 A G - 0 0 28 -5,-0.1 -5,-2.3 -6,-0.0 2,-0.3 -0.515 34.7-159.7 -87.9 165.8 43.5 69.2 6.3 32 33 A R B -D 25 0A 71 -7,-0.2 -7,-0.2 -2,-0.1 2,-0.1 -0.999 16.3-152.2-151.3 155.4 41.2 66.8 8.2 33 34 A K - 0 0 120 -9,-0.7 2,-0.4 -2,-0.3 -9,-0.3 -0.358 31.6-114.9-107.6-172.6 37.7 65.8 9.0 34 35 A L - 0 0 31 -11,-0.2 -11,-0.2 1,-0.2 3,-0.0 -0.730 36.5-178.3-125.2 73.9 36.1 64.1 12.1 35 36 A L - 0 0 66 -13,-0.6 2,-0.3 -2,-0.4 -12,-0.2 0.846 58.6 -14.7 -41.8 -49.9 35.0 61.0 10.2 36 37 A R E -C 22 0A 100 -14,-1.5 -14,-1.7 -3,-0.1 2,-0.3 -0.943 49.5-170.0-154.9 176.0 33.4 59.4 13.2 37 38 A F E +C 21 0A 14 -2,-0.3 -16,-0.2 -16,-0.2 2,-0.2 -0.856 17.7 163.5-170.1 128.3 32.9 59.4 17.0 38 39 A N E +C 20 0A 87 -18,-1.1 -18,-1.2 -2,-0.3 3,-0.2 -0.745 19.2 1.9-140.1-171.5 31.3 56.8 19.3 39 40 A G - 0 0 23 1,-0.4 -20,-0.2 -2,-0.2 2,-0.1 -0.538 53.3-109.2 113.9-178.8 30.9 55.7 22.9 40 41 A P + 0 0 83 0, 0.0 -1,-0.4 0, 0.0 -21,-0.2 0.332 64.3 164.8 -69.4 142.2 31.1 55.4 25.5 41 42 A V - 0 0 54 -23,-2.4 -23,-0.5 -3,-0.2 -3,-0.0 -0.628 39.5 -95.2-110.7 175.3 33.2 52.3 24.8 42 43 A P - 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -25,-0.0 -0.511 49.1 -76.8 -92.0 165.2 35.3 50.6 27.5 43 44 A P 0 0 88 0, 0.0 -25,-0.0 0, 0.0 -32,-0.0 -0.256 360.0 360.0 -53.8 144.8 39.0 51.1 28.2 44 45 A P 0 0 46 0, 0.0 40,-0.1 0, 0.0 -33,-0.0 -0.390 360.0 360.0 -80.0 360.0 41.0 49.1 25.6 45 !* 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 46 1 B G 0 0 41 0, 0.0 2,-0.3 0, 0.0 45,-0.1 0.000 360.0 360.0 360.0 -57.8 47.8 49.1 3.4 47 2 B E E -E 90 0A 110 43,-1.0 43,-2.4 134,-0.0 2,-0.3 -0.864 360.0-172.5-117.4 150.3 50.0 50.0 6.4 48 3 B W E -E 89 0A 36 -2,-0.3 2,-0.3 41,-0.2 41,-0.2 -0.953 4.4-178.6-137.2 155.3 49.0 50.7 10.1 49 4 B E E -E 88 0A 88 39,-1.2 39,-2.5 -2,-0.3 2,-0.6 -0.982 30.6-126.3-156.4 159.7 51.0 51.9 13.1 50 5 B I E -E 87 0A 61 -2,-0.3 2,-0.2 37,-0.2 37,-0.2 -0.976 38.5-162.2-106.0 110.4 50.7 52.7 16.8 51 6 B I E -E 86 0A 29 35,-1.4 35,-0.6 -2,-0.6 -2,-0.0 -0.655 26.1 -84.1-102.2 158.0 52.0 56.3 17.2 52 7 B D - 0 0 139 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.144 31.7-122.9 -60.7 156.9 53.1 58.0 20.3 53 8 B I + 0 0 39 4,-0.1 29,-0.2 3,-0.1 -1,-0.1 -0.198 68.0 121.5 -96.3 44.0 50.6 59.7 22.7 54 9 B G S >> S- 0 0 20 -2,-0.4 3,-3.3 3,-0.0 4,-1.3 -0.328 80.4 -62.3-101.9-173.6 52.2 63.1 22.6 55 10 B P H 3> S+ 0 0 107 0, 0.0 4,-0.8 0, 0.0 5,-0.2 0.727 129.6 53.3 -37.2 -43.7 51.2 66.6 21.7 56 11 B F H 3> S+ 0 0 93 1,-0.2 4,-0.8 2,-0.2 -3,-0.1 0.764 111.6 49.0 -70.8 -17.6 50.5 65.9 18.0 57 12 B T H <> S+ 0 0 5 -3,-3.3 4,-0.6 2,-0.2 -1,-0.2 0.756 107.8 51.4 -89.9 -24.0 48.2 63.1 19.2 58 13 B Q H X S+ 0 0 47 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.572 104.9 58.1 -89.2 -6.7 46.3 65.2 21.7 59 14 B N H X S+ 0 0 89 -4,-0.8 4,-2.8 -5,-0.3 5,-0.2 0.831 103.3 53.0 -83.8 -37.2 45.7 67.9 19.0 60 15 B L H X S+ 0 0 0 -4,-0.8 4,-1.7 1,-0.2 -2,-0.2 0.818 112.7 46.0 -64.7 -29.7 44.0 65.2 17.1 61 16 B G H X S+ 0 0 0 -4,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.897 111.8 47.2 -80.4 -44.0 41.9 64.6 20.2 62 17 B K H X S+ 0 0 110 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.932 113.6 51.3 -65.2 -39.0 41.1 68.2 21.0 63 18 B F H X S+ 0 0 43 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.961 107.7 52.3 -61.2 -51.6 40.1 68.7 17.3 64 19 B A H >X S+ 0 0 0 -4,-1.7 4,-1.4 1,-0.2 3,-0.7 0.950 112.1 44.1 -44.9 -68.8 37.9 65.6 17.4 65 20 B V H 3< S+ 0 0 1 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.798 111.2 54.7 -45.4 -44.2 35.9 66.8 20.4 66 21 B D H >X S+ 0 0 70 -4,-2.1 3,-0.8 1,-0.2 4,-0.5 0.868 107.7 48.6 -61.2 -42.9 35.6 70.4 19.1 67 22 B E H << S+ 0 0 54 -4,-2.4 -1,-0.2 -3,-0.7 -2,-0.2 0.759 114.1 47.3 -68.4 -26.0 34.1 69.2 15.8 68 23 B E T 3X S+ 0 0 10 -4,-1.4 4,-1.2 -5,-0.3 6,-0.4 0.348 96.7 69.1 -95.7 0.4 31.6 67.1 17.7 69 24 B N T <4 S+ 0 0 23 -3,-0.8 -2,-0.2 -4,-0.3 -1,-0.2 0.650 102.2 51.4 -85.1 -20.5 30.7 69.9 20.2 70 25 B K T < S+ 0 0 153 -4,-0.5 -2,-0.2 -5,-0.2 -1,-0.2 0.397 118.2 33.3 -89.4 -13.8 29.2 71.2 17.0 71 26 B I T 4 S- 0 0 117 4,-0.2 -2,-0.2 0, 0.0 -3,-0.1 0.510 87.1-173.0-118.4 -24.8 27.3 68.0 16.3 72 27 B G >< + 0 0 26 -4,-1.2 3,-1.4 3,-0.2 -3,-0.1 0.693 28.2 152.3 31.5 43.8 26.8 67.3 20.0 73 28 B Q T 3 S+ 0 0 164 1,-0.3 -1,-0.2 -5,-0.2 3,-0.1 0.779 93.5 33.7 -63.2 -16.7 25.3 63.8 19.7 74 29 B Y T 3 S- 0 0 76 -6,-0.4 2,-0.3 1,-0.3 -1,-0.3 0.163 118.3-125.7-118.3 10.8 27.0 63.7 23.2 75 30 B G < - 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E 0 51A 1 -35,-0.6 -35,-1.4 -2,-0.1 2,-0.3 -0.817 15.8-159.6 -96.9 135.6 46.6 55.5 19.2 87 42 B M E -AE 9 50A 18 -78,-1.4 -78,-1.6 -2,-0.4 2,-0.4 -0.843 11.2-159.7-118.4 161.1 46.6 54.0 15.6 88 43 B K E -AE 8 49A 38 -39,-2.5 -39,-1.2 -2,-0.3 2,-0.3 -0.948 2.7-158.2-142.9 122.7 47.3 55.3 12.2 89 44 B K E -AE 7 48A 31 -82,-3.4 -82,-1.1 -2,-0.4 2,-0.6 -0.730 9.2-148.5 -96.7 138.9 46.3 54.1 8.8 90 45 B T E -AE 6 47A 17 -43,-2.4 -43,-1.0 -2,-0.3 2,-0.3 -0.973 17.8-158.2-108.1 119.7 48.2 55.0 5.6 91 46 B I E +A 5 0A 45 -86,-2.6 -87,-2.0 -2,-0.6 -86,-0.9 -0.699 15.1 170.7-100.6 147.3 45.9 55.1 2.5 92 47 B Y E +A 3 0A 96 -89,-0.3 -89,-0.2 -2,-0.3 2,-0.1 -0.990 4.1 158.7-149.9 149.8 47.0 54.8 -1.1 93 48 B E + 0 0 101 -91,-1.7 -2,-0.0 -2,-0.3 -91,-0.0 -0.556 19.8 176.2-177.1 113.0 45.3 54.5 -4.5 94 49 B N 0 0 113 -2,-0.1 -1,-0.1 -90,-0.0 -92,-0.0 0.960 360.0 360.0 -77.5 -72.7 46.0 55.0 -8.3 95 50 B E 0 0 197 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.820 360.0 360.0-108.9 360.0 42.8 53.7 -9.8 96 !* 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 97 2 C R 0 0 263 0, 0.0 2,-0.2 0, 0.0 91,-0.1 0.000 360.0 360.0 360.0 99.8 52.5 38.1 38.8 98 3 C E - 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