==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JAN-10 3LE2 . COMPND 2 MOLECULE: SERPIN-ZX; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR S.J.HARROP,T.V.JOSS,P.M.G.CUMI,T.H.ROBERTS . 393 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18073.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 1 2 1 0 0 0 4 0 0 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 2 1 2 0 1 3 1 1 0 1 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 1 1 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 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 A 0 0 135 0, 0.0 2,-0.2 0, 0.0 64,-0.0 0.000 360.0 360.0 360.0-114.4 10.6 8.2 39.7 2 0 A G + 0 0 55 2,-0.0 2,-0.3 64,-0.0 63,-0.0 -0.713 360.0 166.9 169.2 135.9 11.5 4.5 40.4 3 1 A M - 0 0 84 -2,-0.2 2,-0.2 4,-0.0 63,-0.1 -0.995 36.3 -91.1-169.1 151.5 9.4 1.4 39.9 4 2 A D >> - 0 0 88 -2,-0.3 4,-2.3 1,-0.1 3,-0.8 -0.449 30.4-129.2 -75.7 140.4 9.3 -2.4 39.8 5 3 A V H 3> S+ 0 0 59 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.864 108.8 60.5 -55.5 -35.9 9.6 -4.2 36.4 6 4 A R H 3> S+ 0 0 151 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.896 108.1 42.4 -58.4 -42.3 6.5 -6.1 37.2 7 5 A E H <> S+ 0 0 98 -3,-0.8 4,-3.1 2,-0.2 -2,-0.2 0.877 111.7 55.2 -76.1 -35.3 4.4 -2.9 37.5 8 6 A S H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.954 111.4 44.6 -54.1 -53.4 6.1 -1.5 34.4 9 7 A I H X S+ 0 0 10 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.880 113.1 51.3 -60.1 -40.9 5.1 -4.6 32.4 10 8 A S H X S+ 0 0 27 -4,-1.9 4,-1.1 -5,-0.3 251,-0.3 0.918 112.9 44.6 -66.3 -43.6 1.6 -4.4 33.9 11 9 A L H X S+ 0 0 75 -4,-3.1 4,-1.9 1,-0.2 3,-0.4 0.937 112.7 52.6 -63.0 -45.5 1.2 -0.8 33.0 12 10 A Q H X S+ 0 0 14 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.895 105.2 54.1 -55.7 -45.1 2.7 -1.4 29.5 13 11 A N H X S+ 0 0 13 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.829 107.3 50.9 -64.3 -30.8 0.3 -4.2 28.7 14 12 A Q H X S+ 0 0 26 -4,-1.1 4,-1.4 -3,-0.4 -1,-0.2 0.911 111.5 46.3 -72.1 -44.3 -2.7 -2.0 29.5 15 13 A V H X S+ 0 0 33 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.884 108.7 59.0 -60.5 -38.9 -1.5 0.8 27.2 16 14 A S H X S+ 0 0 3 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.871 101.8 52.5 -60.2 -38.4 -0.8 -2.0 24.6 17 15 A M H X S+ 0 0 1 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.881 109.6 48.8 -66.0 -36.6 -4.5 -3.0 24.7 18 16 A N H X S+ 0 0 49 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.909 109.1 52.5 -68.8 -40.3 -5.5 0.6 24.0 19 17 A L H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.958 108.6 51.2 -54.5 -48.8 -2.9 0.7 21.2 20 18 A A H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.877 108.0 52.9 -56.7 -38.4 -4.7 -2.5 19.9 21 19 A K H X S+ 0 0 38 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.945 110.4 46.7 -61.0 -48.8 -8.0 -0.6 20.1 22 20 A H H X S+ 0 0 57 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.862 111.1 51.3 -64.5 -37.8 -6.6 2.3 18.1 23 21 A V H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 4,-0.4 0.957 108.6 51.6 -62.1 -48.5 -5.2 -0.1 15.5 24 22 A I H >< S+ 0 0 29 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.825 102.0 61.7 -56.3 -32.0 -8.5 -1.8 15.1 25 23 A T H 3< S+ 0 0 107 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.821 100.8 54.4 -64.7 -28.3 -10.1 1.6 14.6 26 24 A T T << S+ 0 0 93 -3,-1.4 -1,-0.2 -4,-0.8 2,-0.2 0.454 100.5 70.0 -87.3 -4.4 -8.0 2.0 11.5 27 25 A V S < S- 0 0 36 -3,-1.2 6,-0.0 -4,-0.4 5,-0.0 -0.715 91.5 -88.0-111.5 166.7 -9.1 -1.2 9.7 28 26 A S > - 0 0 72 -2,-0.2 3,-2.3 1,-0.1 -1,-0.1 -0.250 45.2 -98.6 -68.8 162.1 -12.4 -2.3 8.2 29 27 A Q T 3 S+ 0 0 107 1,-0.3 167,-0.1 -4,-0.1 -1,-0.1 0.833 122.5 37.6 -46.2 -45.7 -15.1 -4.0 10.2 30 28 A N T 3 S+ 0 0 41 165,-0.1 2,-0.6 166,-0.1 -1,-0.3 0.084 87.3 122.1-102.6 22.9 -14.1 -7.5 9.1 31 29 A S < - 0 0 37 -3,-2.3 -4,-0.1 -7,-0.1 356,-0.0 -0.782 56.7-136.3 -91.5 118.1 -10.3 -7.1 9.1 32 30 A N - 0 0 15 -2,-0.6 2,-0.4 358,-0.2 356,-0.2 -0.326 21.2-156.0 -62.2 150.8 -8.4 -9.4 11.3 33 31 A V E +A 387 0A 1 354,-2.0 354,-1.8 253,-0.1 2,-0.3 -0.991 21.2 164.0-130.9 141.1 -5.5 -7.8 13.3 34 32 A I E +A 386 0A 2 -2,-0.4 2,-0.3 352,-0.2 297,-0.3 -0.928 13.6 151.1-148.9 134.5 -2.3 -9.2 14.8 35 33 A F E -A 385 0A 0 350,-1.8 350,-2.1 -2,-0.3 252,-0.1 -0.986 41.8-115.3-156.2 161.1 0.7 -7.2 16.0 36 34 A S > - 0 0 0 -2,-0.3 4,-2.0 348,-0.2 348,-0.2 -0.856 17.5-174.1-106.6 106.1 3.5 -7.4 18.6 37 35 A P H > S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.864 89.1 57.7 -61.7 -38.9 3.4 -4.7 21.3 38 36 A A H > S+ 0 0 9 344,-0.9 4,-1.8 1,-0.2 5,-0.1 0.929 108.2 45.7 -55.3 -48.6 6.8 -5.9 22.6 39 37 A S H > S+ 0 0 1 344,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.861 112.0 51.1 -64.2 -39.3 8.3 -5.2 19.2 40 38 A I H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.941 111.2 48.2 -61.8 -45.3 6.6 -1.8 18.9 41 39 A N H X S+ 0 0 11 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.789 105.6 58.9 -69.1 -28.1 8.0 -0.9 22.4 42 40 A V H X S+ 0 0 12 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.889 107.8 46.4 -62.6 -42.4 11.4 -2.1 21.3 43 41 A V H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.939 111.1 50.6 -63.8 -47.8 11.3 0.5 18.5 44 42 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.860 108.5 53.3 -60.7 -35.7 10.1 3.2 20.8 45 43 A S H X S+ 0 0 6 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.899 108.1 50.4 -63.1 -42.8 13.0 2.4 23.2 46 44 A I H X S+ 0 0 2 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.904 112.5 47.3 -59.4 -41.6 15.4 2.7 20.3 47 45 A I H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.894 108.3 53.5 -69.4 -40.8 13.9 6.1 19.5 48 46 A A H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.919 104.4 57.8 -57.8 -40.3 14.0 7.3 23.1 49 47 A A H 3< S+ 0 0 20 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.728 107.3 46.4 -66.2 -24.1 17.7 6.5 23.2 50 48 A G T << S+ 0 0 0 -3,-0.8 261,-1.6 -4,-0.7 262,-0.4 0.190 111.5 64.0-101.0 15.0 18.4 8.8 20.2 51 49 A S < - 0 0 4 -3,-1.9 2,-0.3 260,-0.2 258,-0.1 -0.672 55.6-174.5-127.6 179.6 16.4 11.7 21.6 52 50 A A > + 0 0 31 256,-0.5 3,-1.2 -2,-0.2 4,-0.4 -0.976 45.1 31.9-163.0 178.3 16.2 14.1 24.5 53 51 A G T 3> S- 0 0 39 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 -0.336 121.3 -10.4 68.2-148.1 14.1 16.8 26.2 54 52 A A H 3> S+ 0 0 59 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.697 138.5 56.5 -60.9 -19.4 10.4 16.7 25.9 55 53 A T H <> S+ 0 0 0 -3,-1.2 4,-2.0 2,-0.2 5,-0.3 0.957 106.7 44.7 -77.3 -54.3 10.7 14.0 23.4 56 54 A K H > S+ 0 0 66 -4,-0.4 4,-3.1 1,-0.2 -2,-0.2 0.944 117.0 49.5 -50.6 -46.6 12.7 11.6 25.5 57 55 A D H X S+ 0 0 89 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.877 107.0 52.6 -63.6 -40.4 10.3 12.3 28.3 58 56 A Q H X S+ 0 0 66 -4,-1.6 4,-1.1 -5,-0.2 -1,-0.2 0.869 115.2 41.4 -66.3 -34.6 7.1 11.8 26.3 59 57 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.914 110.8 56.7 -77.8 -43.5 8.3 8.4 25.2 60 58 A L H X>S+ 0 0 11 -4,-3.1 5,-1.8 -5,-0.3 4,-0.7 0.891 110.6 44.8 -52.0 -43.5 9.7 7.5 28.7 61 59 A S H <5S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.817 110.5 54.4 -73.9 -30.3 6.2 8.1 30.1 62 60 A F H <5S+ 0 0 26 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.850 112.9 43.1 -68.1 -32.6 4.5 6.2 27.3 63 61 A L H <5S- 0 0 0 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.486 108.3-123.7 -97.9 -7.0 6.7 3.2 28.0 64 62 A K T <5S+ 0 0 71 -4,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.810 71.2 112.9 71.7 35.6 6.4 3.3 31.8 65 63 A F < - 0 0 15 -5,-1.8 -1,-0.2 1,-0.1 -2,-0.2 -0.971 62.7-137.1-134.7 151.7 10.1 3.5 32.7 66 64 A S S S+ 0 0 49 -2,-0.3 2,-0.3 -63,-0.1 -6,-0.1 0.780 77.9 21.8 -83.3 -30.2 12.0 6.4 34.2 67 65 A S S > S- 0 0 42 -7,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.933 70.5-115.7-138.4 161.3 15.2 6.5 32.1 68 66 A T H > S+ 0 0 30 -2,-0.3 4,-3.0 1,-0.2 5,-0.1 0.815 118.0 58.7 -60.2 -32.1 16.7 5.4 28.7 69 67 A D H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 104.4 49.1 -63.6 -43.4 19.0 3.2 30.8 70 68 A Q H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.941 113.3 47.1 -61.0 -47.5 16.0 1.4 32.3 71 69 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.967 110.2 52.7 -56.4 -53.5 14.5 0.9 28.8 72 70 A N H X S+ 0 0 19 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.874 114.3 41.9 -49.9 -46.8 17.8 -0.3 27.3 73 71 A S H X>S+ 0 0 60 -4,-2.2 4,-3.2 2,-0.2 5,-0.6 0.869 109.4 55.7 -70.8 -44.0 18.2 -3.0 30.0 74 72 A F H X>S+ 0 0 17 -4,-2.5 5,-2.4 -5,-0.2 4,-1.5 0.907 111.8 48.1 -57.4 -38.7 14.6 -4.1 30.1 75 73 A S H <>S+ 0 0 6 -4,-2.5 5,-3.0 -5,-0.2 6,-0.3 0.982 119.1 34.5 -64.4 -57.2 15.1 -4.7 26.4 76 74 A S H <5S+ 0 0 27 -4,-2.2 -2,-0.2 3,-0.2 -3,-0.2 0.816 126.3 38.7 -72.9 -31.9 18.4 -6.7 26.5 77 75 A E H <5S+ 0 0 129 -4,-3.2 -3,-0.2 -5,-0.2 -1,-0.2 0.881 135.1 9.7 -85.8 -41.6 17.8 -8.5 29.8 78 76 A I T X > + 0 0 0 6,-1.9 5,-2.7 -2,-0.1 3,-1.4 0.478 61.9 93.9-111.0 -3.6 13.1 -21.5 21.4 87 85 A S G > 5S+ 0 0 49 5,-0.5 3,-2.0 1,-0.3 6,-0.1 0.856 75.3 64.0 -62.5 -38.4 13.2 -24.1 18.7 88 86 A A G 3 5S+ 0 0 92 1,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.807 113.1 38.2 -52.5 -27.9 16.8 -25.1 19.4 89 87 A N G < 5S- 0 0 94 -3,-1.4 142,-3.2 3,-0.2 143,-0.5 0.263 126.8 -96.0-110.5 10.3 15.4 -26.2 22.8 90 88 A G T < 5S+ 0 0 39 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.441 90.0 113.5 92.3 0.9 12.1 -27.6 21.7 91 89 A G S - 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