==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 14-FEB-12 2LPJ . COMPND 2 MOLECULE: MAJOR AMPULLATE SPIDROIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: EUPROSTHENOPS AUSTRALIS; . AUTHOR K.JAUDZEMS,K.NORDLING,M.LANDREH,A.RISING,G.ASKARIEH,S.D.KNIG . 137 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7385.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 74.5 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 . 0 0.0 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 . 0 0.0 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 . 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 . 7 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 57.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 1 1 1 1 0 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 132 0, 0.0 2,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.7 5.8 -0.7 -10.3 2 2 A S + 0 0 121 2,-0.1 2,-0.7 1,-0.0 0, 0.0 -0.614 360.0 173.4 -79.4 103.0 3.5 0.9 -7.8 3 3 A G - 0 0 51 -2,-1.0 2,-0.5 1,-0.1 4,-0.1 -0.894 13.6-170.7-112.2 102.6 0.2 1.4 -9.5 4 4 A N + 0 0 156 -2,-0.7 2,-0.3 2,-0.1 -1,-0.1 -0.059 66.5 54.9 -85.7 36.4 -2.4 2.7 -7.0 5 5 A S S S+ 0 0 94 -2,-0.5 3,-0.1 108,-0.0 108,-0.0 -0.983 92.5 30.2-162.4 154.6 -5.3 2.3 -9.5 6 6 A H S S+ 0 0 113 -2,-0.3 2,-0.2 1,-0.2 -2,-0.1 0.580 72.6 171.0 69.6 11.1 -7.0 -0.3 -11.7 7 7 A T - 0 0 61 -4,-0.1 -1,-0.2 2,-0.1 109,-0.1 -0.340 18.2-155.7 -57.0 118.3 -5.8 -2.9 -9.2 8 8 A T > - 0 0 8 -2,-0.2 3,-1.8 -3,-0.1 4,-0.2 -0.786 22.4-122.7-100.7 145.0 -7.5 -6.2 -10.2 9 9 A P T 3 S+ 0 0 0 0, 0.0 3,-0.4 0, 0.0 10,-0.2 0.534 106.4 70.6 -65.0 -4.2 -8.2 -9.0 -7.6 10 10 A W T 3 + 0 0 0 1,-0.2 6,-0.0 5,-0.1 -3,-0.0 0.323 68.0 95.8 -95.6 7.2 -6.2 -11.4 -9.8 11 11 A T S < S+ 0 0 58 -3,-1.8 -1,-0.2 1,-0.2 50,-0.2 0.860 92.4 33.2 -63.0 -36.0 -2.9 -9.7 -9.0 12 12 A N S > S- 0 0 91 -3,-0.4 4,-2.8 -4,-0.2 5,-0.2 -0.985 71.9-143.8-126.9 130.9 -2.2 -12.2 -6.2 13 13 A P H > S+ 0 0 30 0, 0.0 4,-1.6 0, 0.0 40,-0.2 0.838 107.3 46.7 -60.7 -34.0 -3.3 -15.9 -6.3 14 14 A G H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.853 111.0 50.7 -75.6 -35.9 -3.9 -15.7 -2.5 15 15 A L H > S+ 0 0 38 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.898 108.1 53.7 -66.1 -41.0 -5.8 -12.5 -2.9 16 16 A A H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.915 108.0 51.0 -57.1 -44.7 -7.9 -14.1 -5.6 17 17 A E H X S+ 0 0 83 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.967 113.3 43.5 -56.9 -56.2 -8.7 -16.9 -3.2 18 18 A N H X S+ 0 0 72 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.895 116.8 48.4 -56.0 -44.0 -9.8 -14.5 -0.4 19 19 A F H X S+ 0 0 3 -4,-3.1 4,-2.1 -10,-0.2 -2,-0.2 0.958 115.4 40.9 -63.6 -53.1 -11.7 -12.4 -2.9 20 20 A M H X S+ 0 0 4 -4,-3.2 4,-3.1 2,-0.2 5,-0.2 0.859 114.5 53.3 -69.5 -36.1 -13.6 -15.2 -4.7 21 21 A N H X S+ 0 0 76 -4,-2.7 4,-2.5 -5,-0.3 5,-0.2 0.968 112.2 43.1 -59.6 -54.5 -14.3 -17.1 -1.4 22 22 A S H X S+ 0 0 26 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.853 114.8 54.3 -60.0 -34.8 -15.8 -14.0 0.2 23 23 A F H X S+ 0 0 8 -4,-2.1 4,-2.9 -5,-0.2 5,-0.2 0.976 111.0 41.1 -60.8 -58.5 -17.6 -13.4 -3.1 24 24 A M H X S+ 0 0 29 -4,-3.1 4,-1.1 1,-0.2 -2,-0.2 0.821 117.1 50.8 -65.5 -30.9 -19.2 -16.9 -3.3 25 25 A Q H X S+ 0 0 114 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.953 115.9 39.0 -69.1 -51.0 -20.0 -16.8 0.5 26 26 A G H >< S+ 0 0 18 -4,-2.5 3,-1.1 1,-0.2 4,-0.3 0.873 112.4 56.4 -68.8 -37.5 -21.7 -13.4 0.5 27 27 A L H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.3 6,-0.2 0.816 96.7 64.8 -65.7 -30.9 -23.5 -14.0 -2.8 28 28 A S H 3< S+ 0 0 69 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.778 102.4 49.6 -61.9 -26.4 -25.1 -17.1 -1.5 29 29 A S T << S+ 0 0 110 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.504 98.0 89.2 -90.7 -6.2 -26.9 -14.8 1.0 30 30 A M S X S- 0 0 41 -3,-1.4 3,-0.5 -4,-0.3 66,-0.0 -0.619 79.8-113.7 -93.0 152.2 -28.0 -12.5 -1.8 31 31 A P T 3 S+ 0 0 89 0, 0.0 2,-0.4 0, 0.0 65,-0.1 -0.068 88.7 54.5 -74.0 178.5 -31.3 -12.9 -3.7 32 32 A G T 3 S+ 0 0 2 55,-0.3 2,-0.2 1,-0.2 56,-0.2 -0.119 94.5 83.4 89.8 -39.4 -31.6 -13.8 -7.4 33 33 A F < - 0 0 17 -3,-0.5 2,-0.3 -2,-0.4 -1,-0.2 -0.635 65.1-145.7-100.1 155.5 -29.5 -16.9 -7.2 34 34 A T >> - 0 0 31 -2,-0.2 4,-1.8 -3,-0.1 3,-1.8 -0.858 31.1-108.7-115.2 155.9 -30.4 -20.4 -6.1 35 35 A A H 3> S+ 0 0 75 -2,-0.3 4,-1.9 1,-0.3 5,-0.1 0.815 117.7 60.4 -55.0 -34.6 -28.1 -22.8 -4.2 36 36 A S H 3> S+ 0 0 90 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.823 107.8 45.6 -62.3 -30.5 -27.6 -25.0 -7.3 37 37 A Q H <> S+ 0 0 14 -3,-1.8 4,-2.2 2,-0.2 3,-0.4 0.850 108.6 53.5 -82.4 -36.8 -26.1 -21.9 -9.1 38 38 A L H X S+ 0 0 14 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.822 101.0 64.4 -64.4 -30.2 -23.9 -21.0 -6.2 39 39 A D H X S+ 0 0 111 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.2 0.880 106.6 41.3 -56.7 -39.9 -22.7 -24.6 -6.4 40 40 A D H X S+ 0 0 57 -4,-0.7 4,-2.5 -3,-0.4 -2,-0.2 0.880 110.0 56.0 -80.2 -38.6 -21.3 -23.8 -9.8 41 41 A M H X S+ 0 0 4 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.824 102.0 59.2 -60.1 -31.4 -19.9 -20.4 -8.8 42 42 A S H X S+ 0 0 48 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.913 107.4 45.8 -60.1 -41.9 -18.0 -22.3 -6.1 43 43 A T H X S+ 0 0 68 -4,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.896 110.6 52.3 -67.2 -41.4 -16.4 -24.2 -9.0 44 44 A I H X S+ 0 0 15 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.914 111.3 48.5 -60.1 -41.8 -15.8 -21.0 -10.9 45 45 A A H X S+ 0 0 7 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.961 113.9 44.2 -61.3 -52.8 -14.1 -19.6 -7.8 46 46 A Q H X S+ 0 0 94 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.858 115.3 50.6 -63.3 -33.7 -12.0 -22.7 -7.3 47 47 A S H X S+ 0 0 53 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.956 112.2 43.6 -70.2 -51.8 -11.1 -22.8 -11.0 48 48 A M H X S+ 0 0 17 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.925 115.5 49.5 -60.6 -46.1 -10.1 -19.2 -11.3 49 49 A V H X S+ 0 0 16 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.948 112.6 45.9 -58.2 -51.9 -8.1 -19.3 -8.1 50 50 A Q H X S+ 0 0 118 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.854 110.2 55.5 -62.5 -35.6 -6.2 -22.5 -9.0 51 51 A S H X S+ 0 0 62 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.952 112.4 41.0 -60.3 -49.3 -5.5 -21.1 -12.5 52 52 A I H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.834 110.8 60.3 -69.3 -32.0 -3.9 -18.0 -11.1 53 53 A Q H X S+ 0 0 82 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.966 111.7 37.5 -56.4 -53.9 -2.2 -20.2 -8.5 54 54 A S H X S+ 0 0 76 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.876 116.3 54.6 -67.4 -38.3 -0.4 -22.2 -11.1 55 55 A L H < S+ 0 0 37 -4,-2.3 4,-0.5 -5,-0.2 5,-0.3 0.939 114.3 38.1 -62.1 -49.4 0.2 -19.1 -13.3 56 56 A A H < S+ 0 0 31 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.736 111.5 62.9 -76.4 -22.5 1.9 -17.1 -10.6 57 57 A A H < S+ 0 0 85 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.975 113.1 28.7 -66.9 -56.2 3.7 -20.1 -9.3 58 58 A Q S < S- 0 0 138 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.400 142.0 -25.8 -91.2 4.4 5.9 -21.0 -12.3 59 59 A G S S- 0 0 45 -4,-0.5 2,-0.3 -5,-0.2 -3,-0.1 -0.407 82.3 -80.3-169.0-110.3 6.1 -17.5 -13.6 60 60 A R - 0 0 190 -5,-0.3 2,-0.5 -2,-0.1 -3,-0.1 -0.954 31.2 -97.5-168.7 179.3 3.9 -14.4 -13.3 61 61 A T - 0 0 34 -2,-0.3 -5,-0.0 -50,-0.2 -9,-0.0 -0.971 28.9-150.5-121.2 121.7 0.9 -12.5 -14.5 62 62 A S >> - 0 0 35 -2,-0.5 3,-1.6 1,-0.1 4,-0.9 -0.531 31.3-108.6 -85.2 158.0 1.1 -9.8 -17.2 63 63 A P H 3> S+ 0 0 92 0, 0.0 4,-1.3 0, 0.0 3,-0.3 0.803 118.3 64.5 -54.6 -30.0 -1.4 -6.8 -17.3 64 64 A N H 34 S+ 0 0 127 1,-0.2 5,-0.1 2,-0.2 -3,-0.0 0.820 96.2 57.0 -64.1 -31.4 -2.9 -8.4 -20.5 65 65 A K H X> S+ 0 0 84 -3,-1.6 4,-3.4 1,-0.2 3,-1.4 0.871 101.9 54.7 -68.6 -37.6 -4.0 -11.4 -18.4 66 66 A L H 3X S+ 0 0 14 -4,-0.9 4,-1.3 1,-0.3 -1,-0.2 0.869 106.0 52.1 -64.3 -36.5 -6.0 -9.2 -16.1 67 67 A Q H 3< S+ 0 0 69 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.250 117.2 40.1 -87.6 12.1 -7.9 -7.7 -19.0 68 68 A A H X> S+ 0 0 46 -3,-1.4 4,-1.4 -5,-0.1 3,-0.7 0.606 110.8 52.1-119.6 -45.3 -8.7 -11.2 -20.2 69 69 A L H 3X S+ 0 0 35 -4,-3.4 4,-1.9 1,-0.2 5,-0.3 0.793 102.5 64.0 -63.7 -27.5 -9.5 -13.1 -16.9 70 70 A N H 3< S+ 0 0 7 -4,-1.3 4,-0.4 -5,-0.3 -1,-0.2 0.854 110.2 36.6 -65.5 -34.4 -11.9 -10.3 -16.1 71 71 A M H <> S+ 0 0 72 -3,-0.7 4,-1.2 2,-0.1 -1,-0.2 0.658 111.1 64.8 -91.3 -17.1 -14.1 -11.2 -19.0 72 72 A A H >X S+ 0 0 34 -4,-1.4 4,-1.5 2,-0.2 3,-0.5 0.979 107.6 35.7 -69.9 -57.5 -13.4 -14.9 -18.6 73 73 A F H 3X S+ 0 0 3 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.748 113.0 62.8 -71.0 -21.2 -15.1 -15.5 -15.2 74 74 A A H 3> S+ 0 0 0 -4,-0.4 4,-1.3 -5,-0.3 -1,-0.2 0.865 102.9 49.4 -67.7 -35.4 -17.7 -12.9 -16.3 75 75 A S H 4 S+ 0 0 7 -4,-0.3 3,-1.5 -3,-0.2 -2,-0.2 0.838 109.3 53.4 -83.6 -37.6 -25.5 -18.6 -14.4 81 81 A A H 3< S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.3 12,-0.2 0.834 108.3 51.8 -64.8 -32.3 -27.0 -15.1 -14.3 82 82 A A T 3< S+ 0 0 48 -4,-2.0 2,-0.5 -5,-0.2 -1,-0.3 0.224 86.9 114.5 -88.7 15.0 -29.2 -16.2 -17.3 83 83 A S < - 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