==== 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 PLANT PROTEIN 29-JUL-02 1M9G . COMPND 2 MOLECULE: MONELLIN CHAIN B AND MONELLIN CHAIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: DIOSCOREOPHYLLUM CUMMINSII; . AUTHOR R.SPADACCINI,F.TRABUCCO,G.SAVIANO,D.PICONE,O.CRESCENZI, . 97 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 64.9 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 . 29 29.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 1.0 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 . 12 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.1 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 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 . 0 2 0 0 2 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 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 1 A M 0 0 150 0, 0.0 3,-0.1 0, 0.0 58,-0.0 0.000 360.0 360.0 360.0 -52.4 -11.7 -3.8 -13.8 2 2 A G + 0 0 43 1,-0.7 2,-0.2 46,-0.0 44,-0.1 -0.083 360.0 10.1 175.2 -56.2 -10.0 -6.3 -16.1 3 3 A E S S- 0 0 156 1,-0.2 -1,-0.7 42,-0.1 43,-0.2 -0.436 95.4 -57.7-125.7-164.6 -6.2 -6.2 -15.8 4 4 A W + 0 0 96 41,-0.2 2,-0.3 -2,-0.2 41,-0.3 -0.355 54.3 179.5 -76.2 163.7 -3.6 -4.6 -13.5 5 5 A E E -A 44 0A 105 39,-2.6 39,-3.1 -2,-0.1 -1,-0.0 -0.956 33.2 -64.8-157.8 174.2 -3.5 -0.8 -13.1 6 6 A I E -A 43 0A 137 -2,-0.3 2,-0.3 37,-0.2 37,-0.2 -0.252 48.0-119.4 -66.7 149.6 -1.7 2.1 -11.3 7 7 A I - 0 0 9 35,-1.1 2,-0.3 55,-0.1 35,-0.1 -0.673 30.5-107.2 -88.6 143.4 -1.8 2.4 -7.5 8 8 A D > - 0 0 87 -2,-0.3 5,-1.1 1,-0.1 4,-0.1 -0.571 35.0-147.4 -74.6 131.4 -3.3 5.5 -5.9 9 9 A I T 5 + 0 0 103 -2,-0.3 -1,-0.1 3,-0.2 0, 0.0 -0.259 60.9 29.9 -88.6 175.9 -0.6 7.9 -4.3 10 10 A G T >5S+ 0 0 32 1,-0.2 2,-2.7 2,-0.1 4,-1.4 -0.545 125.6 13.4 74.7-133.2 -1.0 10.1 -1.3 11 11 A P T 45S+ 0 0 125 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.310 132.2 47.9 -78.0 58.9 -3.5 8.9 1.4 12 12 A F T >5S+ 0 0 56 -2,-2.7 4,-2.9 -4,-0.1 5,-0.2 0.186 108.2 41.3-157.6 -66.5 -3.7 5.4 -0.1 13 13 A T H > S+ 0 0 112 -5,-0.4 4,-3.0 2,-0.2 -2,-0.2 0.923 110.6 44.9 -58.4 -46.5 -2.2 4.2 4.1 16 16 A L H X S+ 0 0 14 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.918 111.9 52.2 -62.0 -48.0 -1.6 0.6 2.9 17 17 A A H X S+ 0 0 34 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.941 113.7 44.1 -54.0 -47.8 2.1 0.8 3.9 18 18 A K H X S+ 0 0 110 -4,-3.1 4,-3.1 2,-0.2 5,-0.3 0.930 108.5 57.1 -63.3 -47.3 0.9 1.9 7.4 19 19 A F H X>S+ 0 0 43 -4,-3.0 4,-2.8 1,-0.2 5,-0.6 0.919 105.6 53.7 -47.4 -50.7 -1.8 -0.8 7.5 20 20 A A H X5S+ 0 0 7 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.953 115.5 36.4 -47.0 -63.0 0.9 -3.4 6.9 21 21 A V H X5S+ 0 0 19 -4,-1.8 4,-2.7 2,-0.2 11,-0.2 0.948 121.0 46.7 -59.5 -55.6 3.1 -2.2 9.8 22 22 A D H X5S+ 0 0 96 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.942 117.8 39.1 -50.8 -63.2 0.1 -1.4 12.2 23 23 A E H X5S+ 0 0 34 -4,-2.8 4,-2.6 -5,-0.3 5,-0.3 0.922 114.7 54.0 -63.1 -44.0 -1.9 -4.5 11.7 24 24 A E H XXS+ 0 0 1 -4,-2.5 4,-3.2 -5,-0.6 5,-0.7 0.913 113.1 44.0 -54.8 -45.5 1.2 -6.7 11.6 25 25 A N H <5S+ 0 0 111 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.929 110.4 54.9 -62.9 -47.6 2.2 -5.2 15.0 26 26 A K H <5S+ 0 0 145 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.863 121.5 29.8 -56.0 -41.3 -1.3 -5.5 16.4 27 27 A I H <5S- 0 0 82 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.910 93.4-143.9 -81.1 -51.4 -1.4 -9.3 15.6 28 28 A G T <5 + 0 0 53 -4,-3.2 -3,-0.2 -5,-0.3 -4,-0.1 0.939 43.3 149.5 79.8 56.9 2.4 -10.1 15.9 29 29 A Q S > + 0 0 105 -2,-0.1 3,-1.8 2,-0.1 2,-1.4 -0.071 56.7 173.9 -83.0 39.6 -12.3 -16.6 -9.6 50 50 A N T 34 S- 0 0 124 -2,-1.4 -1,-0.1 1,-0.4 5,-0.0 -0.233 84.9 -44.5 -58.6 82.1 -9.1 -18.7 -9.7 51 51 A E T 34 S+ 0 0 188 -2,-1.4 -1,-0.4 1,-0.1 -2,-0.1 0.796 113.5 130.9 52.6 33.9 -10.7 -21.9 -8.3 52 52 A G T <4 - 0 0 35 -3,-1.8 -2,-0.2 2,-0.1 -1,-0.1 0.495 67.0-134.0 -92.5 -10.0 -12.2 -19.3 -5.9 53 53 A F S < S+ 0 0 204 -4,-0.6 2,-0.3 1,-0.1 -3,-0.1 0.687 79.6 81.9 57.9 23.1 -15.9 -20.5 -6.3 54 54 A R S S- 0 0 152 -5,-0.1 2,-0.6 -6,-0.0 3,-0.2 -0.907 84.8-117.1-157.7 127.5 -16.9 -16.8 -6.7 55 55 A E S S- 0 0 161 -2,-0.3 -7,-0.1 1,-0.2 0, 0.0 -0.544 95.4 -7.7 -61.5 110.6 -16.9 -14.4 -9.7 56 56 A I - 0 0 39 -2,-0.6 -8,-0.2 -10,-0.1 -1,-0.2 0.959 58.0-160.4 62.4 103.6 -14.5 -11.6 -8.6 57 57 A K - 0 0 84 -10,-0.4 23,-2.4 1,-0.3 2,-0.3 0.856 56.3 -98.9 -76.0 -33.9 -13.2 -11.8 -5.0 58 58 A G E -C 47 0A 0 -11,-0.7 -11,-1.2 21,-0.2 -1,-0.3 -0.996 53.6 -31.4 157.2-153.1 -12.3 -8.1 -5.3 59 59 A Y E -C 46 0A 39 -2,-0.3 19,-3.0 -13,-0.2 2,-0.3 -0.541 46.1-157.7 -88.3 163.2 -9.3 -5.8 -5.8 60 60 A E E -CD 45 77A 32 -15,-2.9 -15,-2.8 17,-0.3 2,-0.4 -0.980 5.3-153.7-138.0 146.0 -5.7 -6.5 -4.8 61 61 A Y E -CD 44 76A 7 15,-2.7 15,-1.6 -2,-0.3 2,-0.5 -0.996 10.6-161.2-119.1 121.3 -2.8 -4.1 -4.2 62 62 A Q E +CD 43 75A 18 -19,-2.7 -19,-1.9 -2,-0.4 2,-0.3 -0.929 18.3 168.2-106.8 120.4 0.7 -5.5 -4.8 63 63 A L E - D 0 74A 3 11,-2.3 11,-2.9 -2,-0.5 2,-0.6 -0.939 31.7-143.7-135.5 153.4 3.5 -3.5 -3.2 64 64 A Y E - D 0 73A 52 -2,-0.3 -25,-2.1 9,-0.2 2,-0.5 -0.819 21.4-174.2-119.4 83.4 7.2 -4.2 -2.5 65 65 A V E -BD 38 72A 20 7,-0.8 7,-0.7 -2,-0.6 2,-0.4 -0.705 23.2-132.3 -79.7 124.7 8.1 -2.6 0.8 66 66 A Y E +BD 37 71A 65 -29,-1.6 -29,-1.3 -2,-0.5 -30,-0.4 -0.662 36.1 170.3 -75.3 132.1 11.9 -2.8 1.4 67 67 A A E > - D 0 70A 1 3,-2.5 3,-2.7 -2,-0.4 2,-2.3 -0.992 57.9 -17.2-147.6 146.3 12.5 -4.2 4.9 68 68 A S T 3 S- 0 0 82 -2,-0.3 -2,-0.1 1,-0.3 3,-0.1 -0.438 129.6 -46.6 62.6 -77.5 15.7 -5.4 6.7 69 69 A D T 3 S+ 0 0 101 -2,-2.3 2,-0.3 1,-0.1 -1,-0.3 0.026 120.5 86.4-170.8 31.4 17.5 -5.7 3.4 70 70 A K E < S-D 67 0A 103 -3,-2.7 -3,-2.5 25,-0.1 2,-2.0 -0.997 78.1-119.2-140.1 143.9 14.9 -7.6 1.2 71 71 A L E -DE 66 94A 16 23,-0.8 23,-0.8 -2,-0.3 -5,-0.2 -0.572 38.1-158.2 -76.8 74.5 11.9 -6.5 -1.0 72 72 A F E -D 65 0A 43 -2,-2.0 -7,-0.8 -7,-0.7 2,-0.5 -0.412 19.9-122.0 -52.7 121.9 9.4 -8.4 1.1 73 73 A R E -DE 64 91A 99 18,-1.5 18,-3.0 -9,-0.2 2,-0.5 -0.637 36.6-176.5 -73.8 119.9 6.4 -9.0 -1.3 74 74 A A E +D 63 0A 4 -11,-2.9 -11,-2.3 -2,-0.5 15,-0.3 -0.964 6.2 169.4-128.6 111.8 3.5 -7.4 0.5 75 75 A D E -DE 62 88A 20 13,-1.6 13,-1.0 -2,-0.5 2,-0.3 -0.667 17.3-157.9-114.2 166.8 -0.0 -7.6 -1.0 76 76 A I E -DE 61 87A 2 -15,-1.6 -15,-2.7 -2,-0.2 2,-0.4 -0.963 6.3-153.3-140.7 142.2 -3.6 -6.8 0.2 77 77 A S E -DE 60 86A 13 9,-1.6 9,-3.2 -2,-0.3 -17,-0.3 -0.931 12.0-147.8-110.4 140.1 -6.9 -8.1 -1.1 78 78 A E - 0 0 21 -19,-3.0 2,-0.7 -2,-0.4 7,-0.2 -0.624 20.0-113.0 -96.7 163.0 -10.1 -6.2 -0.8 79 79 A D > > - 0 0 67 5,-0.3 3,-0.7 -2,-0.2 5,-0.5 -0.894 16.3-151.6 -96.9 110.8 -13.7 -7.6 -0.4 80 80 A Y T 3 5S+ 0 0 139 -23,-2.4 -22,-0.1 -2,-0.7 -1,-0.1 0.738 91.6 70.5 -48.4 -32.9 -15.8 -6.8 -3.5 81 81 A K T 3 5S- 0 0 177 -24,-0.3 -1,-0.2 -3,-0.0 -23,-0.1 0.956 131.0 -24.9 -50.3 -58.6 -18.9 -6.8 -1.3 82 82 A T T < 5S- 0 0 115 -3,-0.7 -4,-0.1 0, 0.0 0, 0.0 0.447 95.1 -76.8-115.5-100.6 -17.8 -3.5 0.3 83 83 A R T 5 + 0 0 153 -25,-0.0 -3,-0.1 -5,-0.0 -25,-0.0 -0.183 63.0 161.4-174.7 50.8 -14.0 -2.5 0.4 84 84 A G < - 0 0 14 -5,-0.5 2,-0.3 1,-0.0 -5,-0.3 -0.142 34.3-131.9 -68.8 178.3 -12.4 -4.5 3.2 85 85 A R - 0 0 136 -7,-0.2 2,-0.6 -25,-0.0 -7,-0.2 -0.873 16.5-164.8-139.1 101.3 -8.6 -5.0 3.5 86 86 A K E -E 77 0A 133 -9,-3.2 -9,-1.6 -2,-0.3 2,-0.6 -0.817 31.6-113.1 -92.4 120.8 -7.5 -8.6 4.1 87 87 A L E +E 76 0A 51 -2,-0.6 -11,-0.2 -11,-0.2 -1,-0.1 -0.386 55.4 148.2 -60.0 104.6 -3.9 -8.8 5.3 88 88 A L E +E 75 0A 81 -13,-1.0 -13,-1.6 -2,-0.6 -12,-0.2 0.030 35.7 123.4-119.7 13.6 -1.8 -10.4 2.5 89 89 A R E + 0 0 3 -15,-0.3 -15,-0.2 1,-0.1 -16,-0.1 -0.275 51.0 42.7 -68.6 167.4 1.4 -8.5 3.3 90 90 A F E S+ 0 0 34 1,-0.2 2,-0.3 -18,-0.2 -16,-0.2 0.984 76.4 137.7 61.7 71.0 4.7 -10.1 4.1 91 91 A N E +E 73 0A 105 -18,-3.0 -18,-1.5 -3,-0.1 3,-0.3 -0.841 48.2 9.7-137.5 170.2 5.1 -12.9 1.6 92 92 A G E S- 0 0 52 -2,-0.3 2,-0.2 1,-0.2 -20,-0.1 -0.903 74.5-122.9 97.2-109.2 7.8 -14.4 -0.6 93 93 A P E - 0 0 82 0, 0.0 -1,-0.2 0, 0.0 -21,-0.2 0.600 32.8-148.3 -71.1 166.3 10.3 -13.0 0.4 94 94 A V E -E 71 0A 37 -23,-0.8 -23,-0.8 -3,-0.3 -3,-0.0 -0.904 6.2-136.2-104.3 130.9 11.4 -11.5 -2.9 95 95 A P - 0 0 99 0, 0.0 -25,-0.1 0, 0.0 0, 0.0 -0.413 38.9 -85.3 -75.4 161.6 15.1 -11.0 -3.7 96 96 A P 0 0 84 0, 0.0 -26,-0.0 0, 0.0 0, 0.0 -0.340 360.0 360.0 -69.6 151.2 16.2 -7.6 -5.3 97 97 A P 0 0 184 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.886 360.0 360.0 -66.9 360.0 16.1 -7.2 -9.2