==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 13-DEC-10 3PYJ . COMPND 2 MOLECULE: MONELLIN CHAIN B/MONELLIN CHAIN A CHIMERIC PROTEI . SOURCE 2 ORGANISM_SCIENTIFIC: DIOSCOREOPHYLLUM CUMMINSII; . AUTHOR J.R.HOBBS,G.C.CONN,S.D.MUNGER,C.M.TEMPLETON . 96 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6241.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 71.9 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 . 41 42.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 2 2.1 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 . 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 . 9 9.4 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 . 16 16.7 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 0 0 0 1 1 0 0 0 1 1 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 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 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 27 0, 0.0 2,-0.4 0, 0.0 45,-0.2 0.000 360.0 360.0 360.0 -8.0 16.8 0.1 -24.2 2 2 A E E -A 45 0A 108 43,-2.2 43,-3.0 2,-0.0 2,-0.3 -0.989 360.0-160.9-131.3 141.5 16.6 -3.7 -25.0 3 3 A W E +A 44 0A 141 -2,-0.4 2,-0.3 41,-0.2 41,-0.2 -0.855 11.6 170.8-124.6 148.4 13.5 -5.8 -25.6 4 4 A E E -A 43 0A 89 39,-1.6 39,-2.9 -2,-0.3 2,-0.5 -0.973 33.5-114.0-149.2 158.9 12.6 -9.5 -25.5 5 5 A I E -A 42 0A 105 -2,-0.3 2,-0.3 37,-0.2 37,-0.2 -0.839 35.6-167.6 -90.5 132.6 9.6 -11.7 -25.6 6 6 A I E -A 41 0A 30 35,-2.7 35,-0.7 -2,-0.5 -2,-0.0 -0.786 25.4 -91.3-116.0 166.9 9.0 -13.7 -22.4 7 7 A D - 0 0 94 -2,-0.3 -1,-0.1 1,-0.1 5,-0.1 -0.144 24.1-130.8 -65.9 166.1 6.6 -16.7 -21.5 8 8 A I + 0 0 31 4,-0.1 29,-0.2 3,-0.1 -1,-0.1 -0.164 64.3 120.9-112.8 38.0 3.1 -16.2 -20.2 9 9 A G S > S- 0 0 12 3,-0.1 4,-2.4 4,-0.0 3,-0.4 0.206 84.4 -51.7 -78.6-156.5 3.4 -18.7 -17.2 10 10 A P H > S+ 0 0 106 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.830 133.0 55.5 -54.1 -40.8 3.0 -18.1 -13.5 11 11 A F H > S+ 0 0 94 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.935 113.5 40.9 -58.0 -47.3 5.4 -15.1 -13.3 12 12 A T H > S+ 0 0 3 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.862 112.1 55.9 -71.8 -35.4 3.5 -13.3 -16.0 13 13 A Q H X S+ 0 0 85 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.885 109.3 48.5 -59.3 -40.9 0.1 -14.3 -14.5 14 14 A N H X S+ 0 0 102 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.862 108.6 51.5 -70.4 -39.6 1.2 -12.8 -11.3 15 15 A L H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.848 110.4 49.9 -59.8 -43.6 2.4 -9.5 -12.9 16 16 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.885 109.9 50.6 -65.6 -40.6 -1.0 -9.2 -14.7 17 17 A K H X S+ 0 0 100 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.894 108.5 52.1 -62.7 -41.8 -2.8 -9.8 -11.4 18 18 A F H X S+ 0 0 54 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.948 109.2 50.1 -53.1 -50.5 -0.6 -7.1 -9.8 19 19 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.915 111.5 48.5 -54.7 -47.5 -1.7 -4.7 -12.7 20 20 A V H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 12,-0.3 0.923 112.0 49.4 -60.4 -43.5 -5.4 -5.6 -12.1 21 21 A D H X S+ 0 0 95 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.919 113.4 45.2 -63.1 -42.6 -5.0 -5.0 -8.4 22 22 A E H X S+ 0 0 52 -4,-2.6 4,-1.0 2,-0.2 3,-0.4 0.888 112.2 51.4 -69.7 -39.4 -3.3 -1.6 -8.9 23 23 A E H >X S+ 0 0 2 -4,-2.8 4,-2.6 -5,-0.2 3,-0.7 0.920 105.0 57.6 -64.4 -41.4 -5.8 -0.6 -11.5 24 24 A N H 3< S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.761 100.9 58.1 -60.0 -26.3 -8.6 -1.4 -9.0 25 25 A K H 3< S+ 0 0 158 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.833 114.5 34.8 -70.3 -34.9 -7.1 1.0 -6.6 26 26 A I H << S- 0 0 106 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.709 92.5-168.5 -89.5 -25.4 -7.4 4.0 -9.0 27 27 A G < + 0 0 37 -4,-2.6 3,-0.3 -5,-0.2 -3,-0.1 0.816 25.7 158.8 38.3 65.4 -10.6 2.5 -10.3 28 28 A Q S S+ 0 0 94 -5,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.210 83.3 29.7 -94.7 12.2 -11.3 4.6 -13.5 29 29 A Y S S- 0 0 146 1,-0.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.011 117.8 -94.7-152.5 42.9 -13.5 1.8 -14.8 30 30 A G S S- 0 0 53 -3,-0.3 -1,-0.6 -6,-0.0 2,-0.5 -0.324 71.4 -35.8 74.6-164.3 -15.1 -0.0 -11.7 31 31 A R - 0 0 224 -4,-0.1 2,-0.2 -3,-0.1 -11,-0.0 -0.847 62.5-161.9-100.3 124.7 -13.6 -3.2 -10.1 32 32 A L - 0 0 16 -2,-0.5 2,-0.4 -12,-0.3 -8,-0.1 -0.652 7.9-149.1-103.1 155.5 -12.0 -5.8 -12.5 33 33 A T - 0 0 93 -2,-0.2 34,-2.7 -9,-0.0 35,-0.3 -0.991 27.6-110.7-126.7 136.5 -11.1 -9.4 -12.0 34 34 A F E + B 0 66A 43 -2,-0.4 32,-0.2 32,-0.2 3,-0.1 -0.320 39.1 165.2 -62.9 131.8 -8.2 -11.1 -13.7 35 35 A N E - 0 0 67 30,-2.7 2,-0.3 1,-0.3 31,-0.2 0.749 58.6 -31.6-106.3 -57.3 -9.1 -13.7 -16.4 36 36 A K E - B 0 65A 127 29,-1.4 29,-3.3 -20,-0.1 2,-0.4 -0.988 41.1-130.9-163.1 152.9 -5.9 -14.4 -18.5 37 37 A V E - B 0 64A 5 -2,-0.3 2,-0.3 27,-0.2 27,-0.2 -0.947 33.2-162.6-109.8 137.6 -2.7 -13.0 -19.8 38 38 A I E - B 0 63A 26 25,-2.2 25,-0.8 -2,-0.4 -2,-0.0 -0.784 23.6 -54.8-118.5 163.1 -2.1 -13.6 -23.5 39 39 A R E S+ 0 0 143 -2,-0.3 2,-0.1 23,-0.1 -32,-0.1 -0.470 96.6 54.1 -73.2 153.7 0.9 -13.5 -25.8 40 40 A P E + 0 0 53 0, 0.0 2,-0.6 0, 0.0 23,-0.2 0.518 57.7 179.8 -91.3 149.8 2.9 -11.6 -26.5 41 41 A C E -A 6 0A 1 -35,-0.7 -35,-2.7 21,-0.1 2,-0.4 -0.967 16.1-157.4-107.5 119.3 4.5 -10.5 -23.2 42 42 A M E -AB 5 61A 49 19,-2.2 19,-2.4 -2,-0.6 2,-0.5 -0.809 6.9-163.9-100.4 136.3 7.3 -7.9 -23.8 43 43 A K E -AB 4 60A 43 -39,-2.9 -39,-1.6 -2,-0.4 2,-0.4 -0.967 2.8-163.9-123.3 117.8 10.1 -7.3 -21.4 44 44 A K E -AB 3 59A 49 15,-3.8 15,-2.2 -2,-0.5 2,-0.5 -0.840 5.5-155.5 -97.1 131.8 12.2 -4.2 -21.7 45 45 A T E -AB 2 58A 7 -43,-3.0 -43,-2.2 -2,-0.4 2,-0.5 -0.962 8.2-151.5-104.7 127.4 15.5 -4.0 -19.8 46 46 A I E - B 0 57A 42 11,-3.1 10,-2.6 -2,-0.5 11,-1.5 -0.885 16.0-164.0-103.9 125.7 16.7 -0.5 -19.1 47 47 A Y E - B 0 55A 51 -2,-0.5 3,-0.4 8,-0.3 8,-0.2 -0.779 27.3-129.7-110.7 152.5 20.5 -0.1 -18.8 48 48 A E E S+ 0 0 109 6,-2.9 2,-0.2 -2,-0.3 5,-0.2 0.933 96.5 29.1 -58.2 -47.7 22.7 2.5 -17.4 49 49 A N E > - B 0 52A 76 3,-0.6 3,-1.9 5,-0.2 -1,-0.2 -0.374 62.6-147.2-134.3 65.2 24.9 2.8 -20.5 50 50 A E T 3 S+ 0 0 143 -3,-0.4 2,-0.2 1,-0.3 3,-0.1 0.090 119.0 27.0 -17.5 91.8 23.9 2.1 -24.1 51 51 A G T 3 S+ 0 0 73 1,-0.4 -1,-0.3 0, 0.0 2,-0.1 -0.706 124.4 57.9 125.4 -76.1 27.5 1.0 -24.2 52 52 A F E < S-B 49 0A 126 -3,-1.9 -3,-0.6 -2,-0.2 -1,-0.4 -0.358 74.8-145.0 -81.9 167.2 27.8 0.0 -20.5 53 53 A R E + 0 0 160 -5,-0.2 2,-0.5 -3,-0.1 -1,-0.1 0.087 42.6 134.3-135.7 31.5 25.5 -2.6 -18.9 54 54 A E E - 0 0 90 1,-0.0 -6,-2.9 2,-0.0 2,-0.4 -0.697 56.9-125.8 -76.4 130.1 24.3 -2.2 -15.3 55 55 A I E -B 47 0A 36 -2,-0.5 -8,-0.3 -8,-0.2 3,-0.1 -0.623 26.3-174.6 -76.3 128.0 20.6 -2.9 -15.4 56 56 A K E - 0 0 92 -10,-2.6 23,-2.2 -2,-0.4 24,-0.5 0.724 58.2 -66.5 -87.7 -30.2 18.6 -0.1 -13.8 57 57 A G E -BC 46 78A 5 -11,-1.5 -11,-3.1 21,-0.3 -1,-0.3 -0.979 48.8-100.9 165.9-167.3 15.2 -1.9 -14.1 58 58 A Y E -BC 45 77A 32 19,-2.7 19,-2.3 -2,-0.3 2,-0.4 -0.882 7.3-147.6-139.0 165.1 12.6 -3.3 -16.4 59 59 A E E -BC 44 76A 42 -15,-2.2 -15,-3.8 -2,-0.3 2,-0.4 -0.992 12.8-157.9-134.5 141.4 9.2 -2.7 -17.9 60 60 A Y E -BC 43 75A 5 15,-2.3 15,-2.4 -2,-0.4 2,-0.5 -0.949 1.6-159.8-114.1 137.4 6.7 -5.4 -18.8 61 61 A Q E +BC 42 74A 35 -19,-2.4 -19,-2.2 -2,-0.4 2,-0.3 -0.984 21.3 178.3-122.1 117.4 4.1 -4.9 -21.4 62 62 A L E - C 0 73A 0 11,-2.8 11,-2.7 -2,-0.5 2,-0.6 -0.899 32.3-140.8-125.4 149.4 1.2 -7.3 -21.1 63 63 A Y E -BC 38 72A 49 -25,-0.8 -25,-2.2 -2,-0.3 2,-0.4 -0.953 33.9-177.7-103.2 121.7 -2.1 -8.0 -22.7 64 64 A V E -BC 37 71A 0 7,-2.6 7,-2.7 -2,-0.6 2,-0.6 -0.987 24.4-147.7-129.3 125.3 -4.5 -9.0 -19.9 65 65 A Y E +BC 36 70A 73 -29,-3.3 -30,-2.7 -2,-0.4 -29,-1.4 -0.840 28.2 170.9 -83.4 126.8 -8.2 -10.0 -20.1 66 66 A A E > -BC 34 69A 0 3,-2.7 3,-1.9 -2,-0.6 -32,-0.2 -0.987 69.8 -4.9-137.3 134.8 -9.9 -8.7 -16.9 67 67 A S T 3 S- 0 0 43 -34,-2.7 -33,-0.1 -2,-0.4 3,-0.1 0.865 130.7 -61.4 44.8 40.7 -13.7 -8.9 -16.5 68 68 A D T 3 S+ 0 0 133 -35,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.625 115.1 109.2 68.4 18.8 -13.8 -10.2 -20.1 69 69 A K E < -C 66 0A 120 -3,-1.9 -3,-2.7 -5,-0.0 2,-0.5 -0.953 67.3-123.3-124.1 148.3 -12.2 -7.1 -21.7 70 70 A L E +C 65 0A 7 -2,-0.3 23,-2.2 -5,-0.2 2,-0.3 -0.794 33.0 177.6-102.3 129.1 -8.7 -6.9 -23.1 71 71 A F E -C 64 0A 5 -7,-2.7 -7,-2.6 -2,-0.5 2,-0.5 -0.886 28.8-132.0-125.8 154.4 -6.3 -4.3 -21.7 72 72 A R E -CD 63 90A 52 18,-3.1 18,-2.6 -2,-0.3 2,-0.4 -0.959 29.4-174.2-104.3 119.8 -2.7 -3.3 -22.3 73 73 A A E -CD 62 89A 0 -11,-2.7 -11,-2.8 -2,-0.5 2,-0.5 -0.930 11.3-162.0-115.0 136.0 -0.8 -2.9 -19.0 74 74 A D E -CD 61 88A 9 14,-2.9 13,-2.9 -2,-0.4 14,-1.5 -0.980 10.4-171.4-115.6 132.5 2.7 -1.6 -18.6 75 75 A I E -CD 60 86A 0 -15,-2.4 -15,-2.3 -2,-0.5 2,-0.3 -0.980 10.3-149.3-124.8 127.9 4.5 -2.4 -15.3 76 76 A S E -CD 59 85A 26 9,-2.7 9,-1.7 -2,-0.4 2,-0.4 -0.685 9.6-167.4 -91.9 154.4 7.9 -1.0 -14.1 77 77 A E E -CD 58 84A 20 -19,-2.3 -19,-2.7 -2,-0.3 2,-0.4 -0.963 16.1-137.8-141.7 122.4 10.2 -2.9 -11.9 78 78 A D E > -C 57 0A 60 5,-2.6 4,-1.9 -2,-0.4 -21,-0.3 -0.657 9.9-143.2 -80.1 133.1 13.2 -1.3 -10.2 79 79 A Y T 4 S+ 0 0 108 -23,-2.2 -22,-0.2 -2,-0.4 -1,-0.1 0.924 94.9 40.8 -65.8 -45.6 16.3 -3.5 -10.3 80 80 A K T 4 S+ 0 0 171 -24,-0.5 -1,-0.2 1,-0.2 -23,-0.1 0.964 128.0 27.9 -68.7 -52.5 17.7 -2.6 -6.8 81 81 A T T 4 S- 0 0 102 2,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.739 90.1-139.2 -82.6 -20.3 14.5 -2.5 -4.8 82 82 A R < + 0 0 196 -4,-1.9 -3,-0.1 1,-0.3 -1,-0.1 0.386 51.5 151.6 70.0 1.5 12.6 -5.0 -6.9 83 83 A G - 0 0 39 -6,-0.1 -5,-2.6 1,-0.1 2,-0.3 -0.279 32.2-150.2 -67.1 143.0 9.6 -2.7 -6.4 84 84 A R E -D 77 0A 80 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.852 12.2-171.7-118.5 154.1 6.9 -2.6 -9.1 85 85 A K E -D 76 0A 149 -9,-1.7 -9,-2.7 -2,-0.3 2,-0.7 -0.995 29.1-121.0-140.0 138.5 4.5 0.1 -10.3 86 86 A L E -D 75 0A 33 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.739 29.8-178.6 -74.4 117.5 1.6 0.1 -12.7 87 87 A L E - 0 0 70 -13,-2.9 2,-0.3 -2,-0.7 -12,-0.2 0.868 62.1 -16.0 -87.4 -44.1 2.6 2.6 -15.3 88 88 A R E -D 74 0A 107 -14,-1.5 -14,-2.9 2,-0.0 -1,-0.4 -0.973 45.6-165.0-158.6 162.4 -0.5 2.4 -17.5 89 89 A F E +D 73 0A 6 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.897 24.9 173.0-152.7 102.5 -3.5 0.3 -18.1 90 90 A N E -D 72 0A 88 -18,-2.6 -18,-3.1 -2,-0.3 3,-0.2 -0.912 19.8 -30.1-123.9 145.6 -5.4 1.1 -21.4 91 91 A G - 0 0 21 -2,-0.3 2,-0.2 1,-0.2 -20,-0.2 -0.931 53.7 -85.9 154.6-175.4 -8.3 -0.6 -23.2 92 92 A P S S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -21,-0.2 0.485 71.0 178.1 -56.3 142.1 -10.3 -2.3 -24.3 93 93 A V - 0 0 36 -23,-2.2 -23,-0.2 -2,-0.2 -2,-0.0 -0.885 34.2 -97.0-117.4 155.0 -7.7 -2.9 -27.0 94 94 A P - 0 0 107 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.395 51.8 -90.7 -67.6 155.4 -8.0 -5.1 -30.1 95 95 A P 0 0 89 0, 0.0 -25,-0.0 0, 0.0 -32,-0.0 -0.303 360.0 360.0 -62.1 142.2 -6.3 -8.6 -29.7 96 96 A P 0 0 111 0, 0.0 -57,-0.1 0, 0.0 -33,-0.0 -0.325 360.0 360.0 -71.8 360.0 -2.8 -8.7 -30.9