==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 18-SEP-00 1FUW . COMPND 2 MOLECULE: MONELLIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DIOSCOREOPHYLLUM CUMMINSII; . AUTHOR Y.H.SUNG,J.SHIN,J.JUNG,W.LEE . 91 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 50 54.9 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 . 21 23.1 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 . 9 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 13.2 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 0 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 . 1 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 56 0, 0.0 45,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 93.7 153.4 -4.2 15.8 2 2 A E + 0 0 142 43,-0.9 43,-0.3 2,-0.0 2,-0.3 -0.713 360.0 87.0 177.7 128.4 150.7 -6.7 14.9 3 3 A W - 0 0 136 -2,-0.2 2,-0.3 41,-0.1 41,-0.2 -0.956 32.6-168.1 171.1-154.0 147.7 -6.9 12.6 4 4 A E - 0 0 106 -2,-0.3 38,-0.1 1,-0.0 41,-0.1 -0.972 49.5 -1.6 162.9-170.8 146.7 -7.7 9.0 5 5 A I + 0 0 80 -2,-0.3 37,-0.1 36,-0.2 3,-0.1 0.080 50.0 174.0 -38.5 152.0 143.9 -7.5 6.5 6 6 A I + 0 0 94 1,-0.5 2,-0.2 -3,-0.1 -1,-0.1 0.579 54.4 0.4-128.3 -65.7 140.6 -6.0 7.8 7 7 A E - 0 0 114 2,-0.0 -1,-0.5 1,-0.0 34,-0.1 -0.521 49.2-137.8-120.0-171.8 137.9 -5.5 5.1 8 8 A I S S+ 0 0 150 -2,-0.2 31,-0.1 -3,-0.1 -3,-0.0 0.149 86.4 57.7-135.7 15.5 137.5 -6.1 1.4 9 9 A G S >> S- 0 0 38 3,-0.1 4,-1.6 29,-0.1 3,-0.5 0.641 118.4 -0.7-109.6 -93.7 135.8 -2.9 0.3 10 10 A P H 3> S+ 0 0 54 0, 0.0 4,-4.2 0, 0.0 5,-0.2 0.913 116.8 75.0 -68.8 -44.6 137.3 0.5 0.9 11 11 A F H 3> S+ 0 0 9 1,-0.2 4,-0.8 2,-0.2 31,-0.2 0.803 108.7 35.4 -36.8 -37.1 140.5 -0.8 2.7 12 12 A T H <> S+ 0 0 1 -3,-0.5 4,-1.3 2,-0.2 3,-0.4 0.950 116.0 49.4 -83.9 -60.1 141.5 -1.8 -0.9 13 13 A Q H X S+ 0 0 118 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.833 101.6 71.4 -48.6 -34.4 140.1 1.1 -3.0 14 14 A N H >X S+ 0 0 68 -4,-4.2 3,-1.6 1,-0.3 4,-1.4 0.956 96.3 45.5 -46.7 -66.9 141.8 3.3 -0.4 15 15 A L H 3X S+ 0 0 3 -4,-0.8 4,-1.5 -3,-0.4 -1,-0.3 0.828 107.7 63.7 -48.0 -31.3 145.3 2.6 -1.6 16 16 A G H 3X S+ 0 0 0 -4,-1.3 4,-1.5 2,-0.2 -1,-0.3 0.904 100.9 49.1 -60.7 -42.3 143.8 3.1 -5.0 17 17 A K H XX S+ 0 0 142 -4,-1.7 4,-1.3 -3,-1.6 3,-0.5 0.991 120.8 33.0 -60.3 -63.5 143.0 6.7 -4.3 18 18 A F H 3X S+ 0 0 93 -4,-1.4 4,-1.7 1,-0.2 5,-0.3 0.654 107.3 78.9 -67.7 -13.9 146.5 7.6 -3.0 19 19 A A H 3X S+ 0 0 1 -4,-1.5 4,-3.2 -5,-0.4 -1,-0.2 0.963 102.4 31.4 -58.1 -55.6 147.8 5.1 -5.5 20 20 A V H << S+ 0 0 61 -4,-1.5 4,-0.3 -3,-0.5 -1,-0.2 0.795 121.8 52.3 -73.2 -29.1 147.5 7.4 -8.4 21 21 A D H < S+ 0 0 121 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.650 123.4 29.4 -80.3 -16.3 148.2 10.4 -6.2 22 22 A E H >< S+ 0 0 31 -4,-1.7 3,-2.2 -3,-0.2 5,-0.4 0.639 90.7 94.1-112.8 -27.0 151.3 8.7 -4.9 23 23 A E T 3X S+ 0 0 28 -4,-3.2 4,-1.1 -5,-0.3 6,-0.2 0.769 86.2 58.8 -37.0 -30.9 152.3 6.6 -7.9 24 24 A N T 34 S+ 0 0 84 -4,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.906 97.1 62.0 -68.7 -43.2 154.5 9.7 -8.7 25 25 A K T <4 S+ 0 0 117 -3,-2.2 -2,-0.1 1,-0.2 60,-0.1 0.929 111.4 30.3 -45.8 -92.4 156.4 9.4 -5.4 26 26 A I T 4 S+ 0 0 93 58,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.830 135.7 33.6 -37.5 -42.1 158.1 6.0 -5.5 27 27 A G S < S- 0 0 31 -4,-1.1 3,-0.1 -5,-0.4 -3,-0.1 0.074 82.4-124.9 -96.6-150.9 158.2 6.6 -9.3 28 28 A Q S S+ 0 0 187 1,-0.2 2,-0.5 -5,-0.1 -4,-0.1 0.588 92.0 32.3-129.1 -39.8 158.6 9.6 -11.5 29 29 A Y S S- 0 0 215 -6,-0.2 -1,-0.2 -4,-0.0 -5,-0.1 -0.892 74.4-154.4-129.9 102.4 155.6 9.7 -13.8 30 30 A G - 0 0 15 -2,-0.5 2,-0.2 -3,-0.1 -10,-0.1 0.108 14.3-172.2 -61.6-177.1 152.3 8.2 -12.5 31 31 A R - 0 0 191 -11,-0.1 2,-0.4 2,-0.0 -8,-0.1 -0.832 33.2 -53.2-157.8-165.9 149.6 6.8 -14.7 32 32 A L + 0 0 135 -2,-0.2 34,-0.2 1,-0.0 32,-0.1 -0.720 48.9 157.0 -89.9 133.6 146.0 5.5 -14.8 33 33 A T + 0 0 8 -2,-0.4 -13,-0.2 -17,-0.1 -14,-0.1 -0.459 34.5 104.4-156.0 74.1 145.1 2.7 -12.4 34 34 A F + 0 0 149 2,-0.1 3,-0.3 28,-0.0 29,-0.1 0.278 49.5 98.9-135.0 4.5 141.3 2.4 -11.6 35 35 A N S S- 0 0 87 1,-0.2 29,-0.2 27,-0.1 2,-0.1 0.984 110.1 -15.4 -57.8 -62.8 140.3 -0.6 -13.7 36 36 A K S S+ 0 0 124 27,-0.3 27,-1.4 2,-0.0 2,-0.8 -0.547 74.2 173.2-147.0 74.8 140.4 -3.1 -10.8 37 37 A V E +A 62 0A 17 25,-0.3 25,-0.3 -3,-0.3 -21,-0.1 -0.764 51.1 66.0 -90.1 107.3 142.3 -1.8 -7.8 38 38 A I E +A 61 0A 66 23,-1.7 23,-1.5 -2,-0.8 -1,-0.1 -0.290 45.0 153.2-173.4 -93.0 141.9 -4.2 -4.9 39 39 A K E S- 0 0 84 1,-0.1 2,-1.5 21,-0.1 22,-0.4 0.312 75.3 -33.2 56.1 164.4 143.3 -7.7 -4.7 40 40 A P E S- 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -32,-0.1 -0.271 81.5-179.8 -53.5 85.1 144.2 -9.5 -1.4 41 41 A C E - 0 0 9 -2,-1.5 2,-0.3 -34,-0.1 -36,-0.2 0.047 6.9-176.6 -76.4-169.4 145.3 -6.4 0.5 42 42 A M E -A 59 0A 78 17,-1.5 17,-2.5 -31,-0.2 2,-0.3 -0.903 12.8-155.1 176.4 156.7 146.5 -6.2 4.1 43 43 A K E -A 58 0A 34 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.996 1.1-166.4-147.4 148.3 147.6 -3.9 6.9 44 44 A K E -A 57 0A 94 13,-1.9 13,-2.9 -2,-0.3 -41,-0.1 -0.925 14.4-145.9-142.2 113.8 149.8 -4.1 9.9 45 45 A T E -A 56 0A 30 -2,-0.4 -43,-0.9 -43,-0.3 11,-0.3 -0.238 5.2-153.8 -72.0 163.9 149.9 -1.5 12.7 46 46 A I E +A 55 0A 25 9,-3.4 9,-4.0 -45,-0.2 8,-0.6 -0.700 18.4 171.6-145.0 88.7 153.1 -0.6 14.6 47 47 A Y - 0 0 134 7,-0.3 29,-0.0 -2,-0.2 -2,-0.0 -0.775 21.3-151.4-101.1 143.7 152.7 0.7 18.2 48 48 A E - 0 0 44 -2,-0.3 -1,-0.2 -47,-0.0 30,-0.0 0.946 49.9 -83.0 -72.5 -90.7 155.6 1.3 20.6 49 49 A N S S+ 0 0 152 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.378 116.9 20.7-150.5 -45.4 154.3 0.9 24.2 50 50 A E S S- 0 0 185 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.040 129.2 -70.1-124.2 28.8 152.8 4.2 25.4 51 51 A R S S+ 0 0 193 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 0.872 85.7 142.0 84.9 42.0 152.0 5.7 22.0 52 52 A E S S- 0 0 114 25,-0.1 -5,-0.1 26,-0.0 26,-0.1 0.539 85.7 -10.2 -89.2 -8.7 155.6 6.4 20.9 53 53 A I - 0 0 30 24,-0.1 -6,-0.2 2,-0.1 25,-0.1 0.246 61.6-175.8-147.5 -77.5 154.9 5.5 17.3 54 54 A K + 0 0 108 -8,-0.6 -7,-0.3 23,-0.1 2,-0.1 0.964 29.5 172.3 64.0 54.9 151.6 3.8 16.4 55 55 A G E -A 46 0A 2 -9,-4.0 -9,-3.4 22,-0.1 2,-0.3 -0.250 20.9-151.8 -87.2 178.6 152.4 3.2 12.8 56 56 A Y E -AB 45 75A 90 19,-0.6 2,-0.6 -11,-0.3 19,-0.6 -0.885 5.7-149.3-157.8 122.1 150.6 1.3 10.1 57 57 A E E -AB 44 74A 62 -13,-2.9 -13,-1.9 -2,-0.3 2,-0.7 -0.823 13.7-164.2 -95.6 119.7 151.7 -0.5 7.0 58 58 A Y E -AB 43 73A 29 15,-2.1 15,-3.8 -2,-0.6 2,-0.7 -0.879 6.7-176.5-109.2 105.9 149.2 -0.5 4.2 59 59 A Q E +AB 42 72A 71 -17,-2.5 -17,-1.5 -2,-0.7 2,-0.3 -0.885 11.0 174.7-103.9 112.4 149.8 -3.1 1.4 60 60 A L E - B 0 71A 2 11,-2.0 11,-1.9 -2,-0.7 2,-0.6 -0.900 25.5-144.0-120.2 149.1 147.4 -2.9 -1.4 61 61 A Y E -A 38 0A 69 -23,-1.5 -23,-1.7 -22,-0.4 2,-1.1 -0.904 12.0-161.5-114.1 104.0 147.2 -4.7 -4.8 62 62 A V E -A 37 0A 3 -2,-0.6 7,-2.3 -25,-0.3 2,-1.6 -0.724 1.9-166.7 -88.6 98.9 145.9 -2.5 -7.6 63 63 A Y B +D 68 0B 94 -27,-1.4 -27,-0.3 -2,-1.1 5,-0.3 -0.602 20.3 178.3 -86.3 80.3 144.8 -4.8 -10.4 64 64 A A - 0 0 4 -2,-1.6 3,-0.1 3,-0.6 -31,-0.1 -0.075 41.3-105.6 -73.6 178.9 144.4 -2.3 -13.2 65 65 A S S S+ 0 0 87 1,-0.2 3,-0.1 3,-0.0 -1,-0.1 0.934 118.8 56.9 -72.7 -48.4 143.4 -3.0 -16.8 66 66 A D S S- 0 0 130 -34,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.693 131.9 -62.6 -56.8 -17.3 146.9 -2.6 -18.2 67 67 A K S S- 0 0 114 -3,-0.1 -3,-0.6 -5,-0.0 2,-0.4 -0.951 70.3 -49.9 158.0-173.4 147.9 -5.3 -15.7 68 68 A L B +D 63 0B 40 -2,-0.3 -5,-0.3 -5,-0.3 2,-0.2 -0.765 54.3 170.4 -95.1 135.6 148.1 -6.1 -12.0 69 69 A F - 0 0 55 -7,-2.3 2,-0.2 -2,-0.4 20,-0.2 -0.640 13.7-168.9-129.4-172.9 149.8 -3.7 -9.6 70 70 A R - 0 0 35 -9,-0.3 18,-2.6 -2,-0.2 -9,-0.3 -0.751 5.4-156.7 177.8 132.7 150.3 -3.2 -5.9 71 71 A A E -B 60 0A 4 -11,-1.9 -11,-2.0 16,-0.3 2,-0.4 -0.728 11.0-139.6-114.7 165.2 151.6 -0.4 -3.6 72 72 A D E -B 59 0A 19 14,-0.5 13,-1.4 -2,-0.2 14,-0.6 -0.969 12.6-166.8-131.8 119.6 153.0 -0.5 -0.1 73 73 A I E +BC 58 84A 5 -15,-3.8 -15,-2.1 -2,-0.4 2,-0.4 -0.856 9.8 174.6-106.0 137.3 152.3 2.1 2.6 74 74 A S E +BC 57 83A 35 9,-1.4 9,-2.1 -2,-0.4 -17,-0.2 -0.971 12.1 169.9-145.5 126.8 154.3 2.4 5.8 75 75 A E E +BC 56 82A 18 -19,-0.6 -19,-0.6 -2,-0.4 7,-0.3 -0.652 29.0 135.7-137.2 79.2 154.0 5.0 8.6 76 76 A D - 0 0 12 5,-1.1 2,-0.3 -21,-0.3 4,-0.1 -0.461 32.0-149.2-114.1-172.0 156.1 4.0 11.6 77 77 A Y + 0 0 166 -31,-0.2 -22,-0.1 -2,-0.2 -23,-0.1 -0.958 63.3 60.8-154.2 168.1 158.4 5.7 14.0 78 78 A K S S- 0 0 139 -2,-0.3 -25,-0.1 2,-0.2 -1,-0.0 -0.080 136.4 -5.1 99.5 -28.5 161.5 5.1 16.3 79 79 A T S S+ 0 0 108 2,-0.0 2,-0.2 0, 0.0 -2,-0.1 0.062 119.3 96.7 175.0 40.3 163.5 4.2 13.2 80 80 A R - 0 0 145 -4,-0.1 2,-0.3 -5,-0.0 -2,-0.2 -0.527 60.0-122.4-125.9-166.6 161.0 4.2 10.4 81 81 A G - 0 0 40 -2,-0.2 -5,-1.1 -4,-0.1 2,-0.5 -0.993 12.2-142.3-145.6 145.9 159.6 6.2 7.6 82 82 A R E +C 75 0A 176 -2,-0.3 -7,-0.3 -7,-0.3 2,-0.2 -0.951 51.3 80.4-118.0 122.8 156.1 7.5 6.8 83 83 A K E -C 74 0A 90 -9,-2.1 -9,-1.4 -2,-0.5 2,-0.4 -0.805 68.3 -94.1 160.5 159.9 154.8 7.7 3.2 84 84 A L E +C 73 0A 29 -2,-0.2 -58,-0.4 -11,-0.2 -11,-0.2 -0.793 56.1 128.6 -98.1 135.9 153.4 5.8 0.3 85 85 A L + 0 0 40 -13,-1.4 -58,-0.2 -2,-0.4 -1,-0.1 0.319 30.2 97.2-145.2 -76.5 155.7 4.4 -2.4 86 86 A R + 0 0 130 -14,-0.6 -14,-0.5 -15,-0.1 -1,-0.1 0.180 33.9 161.3 -28.3 142.0 155.6 0.8 -3.6 87 87 A F + 0 0 20 -16,-0.3 -16,-0.3 -61,-0.1 2,-0.2 -0.150 29.5 108.0-168.8 58.0 153.6 0.3 -6.8 88 88 A N - 0 0 105 -18,-2.6 -26,-0.2 -19,-0.1 -19,-0.0 -0.671 37.8-168.0-128.9-176.3 154.5 -3.0 -8.5 89 89 A G - 0 0 10 -20,-0.2 -21,-0.2 -2,-0.2 -18,-0.0 -0.242 13.7-155.2-178.5 80.0 152.9 -6.4 -9.1 90 90 A P 0 0 93 0, 0.0 -22,-0.0 0, 0.0 -2,-0.0 0.120 360.0 360.0 -52.2 173.8 155.0 -9.3 -10.5 91 91 A V 0 0 179 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.434 360.0 360.0-113.9 360.0 153.3 -12.2 -12.4