==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 10-JAN-02 1KRL . COMPND 2 MOLECULE: MONELLIN, CHAIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: DIOSCOREOPHYLLUM CUMMINSII; . AUTHOR L.W.HUNG,M.KOHMURA,Y.ARIYOSHI,S.H.KIM . 184 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11302.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 72.3 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 . 74 40.2 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 . 17 9.2 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 . 32 17.4 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 2 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 2 0 2 0 0 1 3 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 2 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 1 101 A R 0 0 203 0, 0.0 92,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.8 23.1 15.8 24.2 2 102 A E 0 0 134 0, 0.0 92,-2.6 0, 0.0 3,-1.1 -0.021 360.0 360.0 -95.2 360.0 19.8 16.9 25.5 3 ! 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 4 103 A I 0 0 44 0, 0.0 89,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 109.2 16.6 16.0 23.5 5 104 A K - 0 0 106 87,-1.7 23,-2.1 -3,-1.1 24,-0.4 0.923 360.0 -68.0 -73.0 -45.0 14.4 19.1 23.1 6 105 A G E -AB 27 92A 6 86,-1.2 86,-3.4 21,-0.3 2,-0.3 -0.965 50.6 -84.0 178.2-165.0 11.9 17.2 21.1 7 106 A Y E -AB 26 91A 37 19,-2.7 19,-2.3 -2,-0.3 2,-0.4 -0.825 14.3-148.5-128.5 166.4 11.0 15.3 17.9 8 107 A E E -AB 25 90A 51 82,-2.1 82,-3.1 -2,-0.3 2,-0.5 -0.998 14.1-157.2-135.8 125.5 9.8 16.0 14.3 9 108 A Y E -AB 24 89A 6 15,-3.1 15,-2.7 -2,-0.4 2,-0.6 -0.913 1.7-160.9-107.2 132.4 7.7 13.5 12.4 10 109 A Q E -AB 23 88A 46 78,-2.5 78,-2.0 -2,-0.5 2,-0.3 -0.961 23.7-178.9-114.1 113.7 7.5 13.4 8.7 11 110 A L E -A 22 0A 0 11,-3.4 11,-2.2 -2,-0.6 2,-0.6 -0.803 34.1-144.2-118.0 158.5 4.5 11.5 7.5 12 111 A Y E -AB 21 84A 51 72,-0.6 72,-1.8 -2,-0.3 2,-0.4 -0.986 35.5-178.6-113.4 114.3 2.7 10.5 4.3 13 112 A V E -AB 20 83A 0 7,-2.9 7,-2.6 -2,-0.6 2,-0.5 -0.979 23.7-145.1-127.2 129.3 -0.9 10.7 5.1 14 113 A Y E +AB 19 82A 65 68,-3.1 67,-3.0 -2,-0.4 68,-1.2 -0.796 27.0 167.6 -86.8 128.5 -4.0 9.9 2.9 15 114 A A E > S-AB 18 80A 0 3,-2.5 3,-2.3 -2,-0.5 65,-0.3 -0.988 71.3 -0.6-142.0 130.8 -6.8 12.3 3.5 16 115 A S T 3 S- 0 0 33 63,-2.8 64,-0.1 -2,-0.4 3,-0.1 0.858 129.8 -63.4 55.0 37.3 -9.9 12.4 1.2 17 116 A D T 3 S+ 0 0 136 62,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.579 115.4 114.1 65.0 11.6 -8.2 9.7 -0.9 18 117 A K E < -A 15 0A 84 -3,-2.3 -3,-2.5 -5,-0.0 2,-0.5 -0.870 67.5-121.8-113.9 146.4 -5.3 12.1 -1.6 19 118 A L E +A 14 0A 8 -2,-0.3 23,-2.3 23,-0.3 2,-0.3 -0.777 33.7 177.1 -92.4 124.7 -1.7 11.7 -0.5 20 119 A F E -A 13 0A 0 -7,-2.6 -7,-2.9 -2,-0.5 2,-0.5 -0.843 27.1-133.5-122.9 158.5 -0.2 14.5 1.6 21 120 A R E -AC 12 39A 42 18,-2.9 18,-2.6 -2,-0.3 2,-0.4 -0.966 28.3-174.7-112.2 120.8 3.2 15.1 3.3 22 121 A A E -AC 11 38A 0 -11,-2.2 -11,-3.4 -2,-0.5 2,-0.5 -0.981 13.1-159.7-123.0 132.8 2.8 16.3 6.9 23 122 A D E -AC 10 37A 9 14,-2.3 13,-2.9 -2,-0.4 14,-1.4 -0.945 13.8-173.2-110.5 130.1 5.5 17.4 9.3 24 123 A I E -AC 9 35A 0 -15,-2.7 -15,-3.1 -2,-0.5 2,-0.3 -0.980 13.0-150.7-128.8 130.4 4.8 17.5 13.0 25 124 A S E -AC 8 34A 32 9,-2.4 9,-1.9 -2,-0.4 2,-0.3 -0.667 14.3-170.4 -94.4 152.9 6.8 18.8 15.9 26 125 A E E -AC 7 33A 10 -19,-2.3 -19,-2.7 -2,-0.3 7,-0.2 -0.890 21.8-125.5-149.8 116.9 6.4 17.2 19.4 27 126 A D E > -A 6 0A 45 5,-2.6 4,-1.5 -2,-0.3 -21,-0.3 -0.333 18.9-133.8 -61.3 138.6 7.9 18.4 22.6 28 127 A Y T 4 S+ 0 0 122 -23,-2.1 -22,-0.2 2,-0.2 -1,-0.1 0.938 97.5 31.8 -58.9 -54.4 10.0 15.8 24.5 29 128 A K T 4 S+ 0 0 163 -24,-0.4 -1,-0.2 1,-0.1 -23,-0.1 0.947 132.1 26.3 -70.3 -55.2 8.5 16.2 27.9 30 129 A T T 4 S- 0 0 84 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.717 90.5-131.1 -83.6 -24.7 4.9 17.3 27.4 31 130 A R < + 0 0 163 -4,-1.5 2,-0.4 1,-0.3 -3,-0.1 0.734 43.8 171.1 74.1 22.5 4.3 15.6 23.9 32 131 A G - 0 0 40 -5,-0.0 -5,-2.6 -6,-0.0 2,-0.3 -0.578 17.9-153.7 -67.7 122.6 2.9 19.0 22.9 33 132 A R E -C 26 0A 71 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.744 18.4-175.8-105.5 150.0 2.4 18.7 19.1 34 133 A K E -C 25 0A 127 -9,-1.9 -9,-2.4 -2,-0.3 2,-0.7 -0.999 28.5-124.9-141.2 136.3 2.3 21.3 16.4 35 134 A L E +C 24 0A 15 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.736 30.6 176.4 -79.9 116.5 1.6 20.9 12.6 36 135 A L E - 0 0 72 -13,-2.9 2,-0.3 -2,-0.7 -12,-0.2 0.870 62.2 -1.5 -87.5 -44.3 4.6 22.4 10.9 37 136 A R E -C 23 0A 122 -14,-1.4 -14,-2.3 2,-0.0 -1,-0.3 -0.993 50.7-176.2-148.7 150.4 3.8 21.7 7.2 38 137 A F E +C 22 0A 7 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.871 21.5 162.1-150.1 107.2 1.0 20.0 5.3 39 138 A N E -C 21 0A 61 -18,-2.6 -18,-2.9 -2,-0.3 3,-0.1 -0.982 19.0 -73.0-134.2 144.6 1.4 19.8 1.5 40 139 A G - 0 0 20 -2,-0.4 -20,-0.2 -20,-0.2 2,-0.1 -0.980 53.8 -38.5 174.5 178.2 -0.1 17.7 -1.3 41 140 A P + 0 0 91 0, 0.0 -21,-0.2 0, 0.0 -1,-0.2 0.493 65.7 177.1 -71.0 146.8 -1.1 15.9 -3.3 42 141 A V - 0 0 37 -23,-2.3 -23,-0.3 -2,-0.1 -2,-0.0 -0.862 36.1 -98.3-116.0 155.1 2.4 14.3 -3.5 43 142 A P - 0 0 103 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.313 54.5 -87.9 -66.1 157.4 3.3 11.3 -5.7 44 143 A P 0 0 91 0, 0.0 -25,-0.0 0, 0.0 -32,-0.0 -0.299 360.0 360.0 -64.7 154.9 3.3 7.9 -3.8 45 144 A P 0 0 108 0, 0.0 40,-0.0 0, 0.0 -33,-0.0 -0.019 360.0 360.0 -67.0 360.0 6.6 6.9 -2.1 46 !* 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 47 101 B G 0 0 143 0, 0.0 2,-2.4 0, 0.0 43,-0.0 0.000 360.0 360.0 360.0 150.8 19.3 8.3 16.0 48 102 B E + 0 0 88 2,-0.0 43,-2.5 44,-0.0 2,-0.4 -0.447 360.0 23.9 76.2 -64.8 18.8 11.9 14.8 49 103 B W E S+D 90 0A 103 -2,-2.4 2,-0.3 41,-0.3 41,-0.2 -0.998 80.5 161.0-129.3 127.7 16.8 10.5 11.9 50 104 B E E -D 89 0A 83 39,-1.7 39,-3.1 -2,-0.4 2,-0.5 -0.988 39.4-117.6-147.7 152.7 15.1 7.1 12.1 51 105 B I E -D 88 0A 96 -2,-0.3 2,-0.2 37,-0.2 37,-0.2 -0.814 35.8-166.3 -88.4 131.8 12.4 5.2 10.3 52 106 B I E -D 87 0A 25 35,-2.6 35,-0.7 -2,-0.5 2,-0.0 -0.714 22.2 -98.2-114.7 166.9 9.5 4.4 12.6 53 107 B D - 0 0 92 -2,-0.2 -1,-0.1 33,-0.1 5,-0.0 -0.203 23.7-123.4 -75.6 176.3 6.6 2.0 12.2 54 108 B I + 0 0 45 4,-0.1 29,-0.2 3,-0.1 -1,-0.1 -0.089 61.7 134.2-113.2 35.7 3.1 2.9 11.1 55 109 B G S >> S- 0 0 23 3,-0.1 4,-2.4 4,-0.1 3,-1.0 0.018 77.9 -66.4 -72.2-174.9 1.2 1.5 14.1 56 110 B P H 3> S+ 0 0 103 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.843 132.8 56.5 -40.7 -48.9 -1.6 3.3 16.2 57 111 B F H 3> S+ 0 0 99 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.897 111.9 40.8 -53.6 -48.6 0.8 5.9 17.4 58 112 B T H <> S+ 0 0 2 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.886 112.9 55.3 -68.0 -39.4 1.8 7.0 13.9 59 113 B Q H X S+ 0 0 44 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.918 107.6 49.8 -60.7 -41.1 -1.8 6.7 12.7 60 114 B N H X S+ 0 0 97 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.794 105.2 56.7 -69.3 -28.8 -2.8 9.1 15.5 61 115 B L H X S+ 0 0 0 -4,-1.1 4,-2.3 -5,-0.2 -1,-0.2 0.913 108.6 48.4 -66.0 -40.2 -0.1 11.5 14.4 62 116 B G H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.906 109.3 51.4 -64.2 -41.7 -1.7 11.4 11.0 63 117 B K H X S+ 0 0 103 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.918 110.2 50.1 -62.1 -41.8 -5.1 12.1 12.5 64 118 B F H X S+ 0 0 41 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.909 108.9 51.7 -62.6 -44.8 -3.7 15.1 14.4 65 119 B A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.929 112.8 45.0 -59.8 -45.0 -2.1 16.4 11.2 66 120 B V H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 12,-0.2 0.888 111.9 51.7 -67.6 -39.3 -5.5 16.2 9.4 67 121 B D H X S+ 0 0 56 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.909 113.1 45.7 -63.4 -42.7 -7.4 17.7 12.3 68 122 B E H >X S+ 0 0 57 -4,-2.4 4,-1.4 1,-0.2 3,-0.6 0.920 112.8 49.6 -66.1 -44.5 -5.0 20.6 12.4 69 123 B E H 3X S+ 0 0 5 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.856 104.9 58.8 -63.7 -34.9 -5.1 21.1 8.6 70 124 B N H 3< S+ 0 0 19 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.819 103.2 53.0 -64.5 -30.1 -8.9 21.0 8.7 71 125 B K H << S+ 0 0 154 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.869 110.9 46.8 -70.8 -38.1 -8.8 24.0 11.0 72 126 B I H < S- 0 0 110 -4,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.922 92.9-154.3 -69.1 -45.9 -6.6 25.9 8.6 73 127 B G >< + 0 0 38 -4,-2.8 3,-2.0 3,-0.2 -3,-0.1 0.432 48.7 133.4 86.2 1.7 -8.8 25.0 5.6 74 128 B Q T 3 S+ 0 0 127 -5,-0.4 3,-0.1 1,-0.3 -4,-0.1 0.779 83.5 32.6 -55.8 -29.2 -6.2 25.2 2.9 75 129 B Y T 3 S- 0 0 59 1,-0.5 -1,-0.3 -6,-0.3 -5,-0.1 0.081 111.5-120.1-117.2 25.7 -7.3 21.8 1.5 76 130 B G < - 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