==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-DEC-09 2WZN . COMPND 2 MOLECULE: 354AA LONG HYPOTHETICAL OPERON PROTEIN FRV; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR E.ROSENBAUM,M.A.DURA,F.M.VELLIEUX,B.FRANZETTI . 338 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14879.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 14.8 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 29 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 2 0 0 1 2 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 0 0 1 0 1 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 . 3 3 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 0 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 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 8 A S 0 0 29 0, 0.0 319,-0.1 0, 0.0 318,-0.1 0.000 360.0 360.0 360.0-101.8 -0.5 28.1 51.5 2 9 A M - 0 0 129 1,-0.1 2,-0.4 314,-0.1 314,-0.0 0.822 360.0 -97.9 45.5 125.7 1.8 25.2 52.4 3 10 A V - 0 0 23 312,-0.1 2,-0.9 1,-0.1 -1,-0.1 -0.545 23.1-157.0 -79.4 124.7 1.1 21.6 51.2 4 11 A D > - 0 0 66 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 -0.855 10.1-166.8 -96.6 97.3 -0.7 19.3 53.6 5 12 A W H > S+ 0 0 56 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.826 82.2 51.0 -60.2 -33.4 0.4 16.0 52.0 6 13 A K H > S+ 0 0 142 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.944 114.0 41.6 -71.9 -48.6 -2.1 13.9 54.0 7 14 A L H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.900 113.9 54.4 -64.1 -41.1 -5.2 16.0 53.1 8 15 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.935 110.0 45.8 -60.5 -45.5 -4.0 16.3 49.5 9 16 A Q H X S+ 0 0 66 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.902 111.0 53.0 -65.0 -39.3 -3.7 12.5 49.2 10 17 A E H X S+ 0 0 84 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.917 110.6 47.9 -60.3 -41.8 -7.1 12.0 50.8 11 18 A I H < S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.882 113.0 48.4 -65.4 -40.8 -8.6 14.4 48.3 12 19 A I H < S+ 0 0 2 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.920 115.3 43.1 -65.0 -42.5 -6.9 12.7 45.4 13 20 A E H < S+ 0 0 47 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.609 81.9 114.6 -89.2 -9.5 -7.9 9.2 46.4 14 21 A A S < S- 0 0 8 -4,-1.3 10,-0.2 -5,-0.2 11,-0.1 -0.327 76.0-103.2 -61.0 136.7 -11.6 9.8 47.3 15 22 A P + 0 0 15 0, 0.0 10,-2.6 0, 0.0 11,-0.2 -0.257 64.2 125.1 -58.7 145.8 -14.0 8.0 45.0 16 23 A G + 0 0 0 8,-0.2 51,-1.9 7,-0.2 5,-0.2 0.222 23.3 177.1 160.8 79.6 -15.8 10.0 42.3 17 24 A V B > -a 67 0A 0 3,-0.3 3,-3.1 49,-0.3 51,-0.2 -0.415 60.6 -60.4 -77.6 165.4 -15.9 9.5 38.6 18 25 A S T 3 S+ 0 0 6 49,-1.8 -1,-0.2 1,-0.3 180,-0.1 -0.223 129.6 12.1 -49.3 125.7 -18.1 11.8 36.5 19 26 A G T 3 S+ 0 0 25 26,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.301 122.3 69.2 88.8 -8.4 -21.7 11.4 37.6 20 27 A Y X + 0 0 73 -3,-3.1 3,-2.0 1,-0.1 -3,-0.3 -0.046 50.2 125.9-131.1 33.2 -20.7 9.5 40.7 21 28 A E G > > + 0 0 5 1,-0.3 5,-2.2 -5,-0.2 3,-1.2 0.694 65.3 73.4 -67.5 -16.1 -19.0 12.2 42.7 22 29 A H G 3 5S+ 0 0 94 1,-0.2 -1,-0.3 3,-0.2 5,-0.1 0.569 74.5 83.4 -73.1 -8.2 -21.4 11.3 45.6 23 30 A L G < 5S- 0 0 69 -3,-2.0 -1,-0.2 -6,-0.2 -7,-0.2 0.623 122.7 -48.0 -72.8 -12.7 -19.4 8.1 46.1 24 31 A G T <>5S+ 0 0 15 -3,-1.2 4,-1.3 -9,-0.2 3,-0.3 0.124 123.0 70.3-178.9 -50.2 -16.9 9.9 48.3 25 32 A I H >5S+ 0 0 0 -10,-2.6 4,-2.5 1,-0.2 3,-0.4 0.904 94.6 61.2 -60.9 -40.8 -15.3 13.2 47.1 26 33 A R H > S+ 0 0 79 -3,-0.3 4,-2.4 -6,-0.3 -1,-0.2 0.841 111.2 51.9 -65.5 -32.5 -18.8 14.6 51.3 28 35 A I H X S+ 0 0 49 -4,-1.3 4,-2.6 -3,-0.4 5,-0.3 0.943 111.0 46.6 -68.4 -45.5 -15.2 15.5 51.8 29 36 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.933 114.1 48.2 -62.1 -46.4 -15.5 18.8 50.0 30 37 A V H X S+ 0 0 30 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.953 112.5 48.8 -58.0 -50.5 -18.7 19.7 51.9 31 38 A D H X S+ 0 0 100 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.905 114.0 43.9 -59.2 -46.3 -17.2 18.8 55.2 32 39 A V H >< S+ 0 0 19 -4,-2.6 3,-0.5 1,-0.2 4,-0.3 0.921 118.5 43.5 -68.2 -41.6 -14.0 20.8 54.7 33 40 A L H >X S+ 0 0 0 -4,-2.4 4,-3.2 -5,-0.3 3,-1.5 0.822 101.8 66.6 -72.7 -30.8 -15.8 23.9 53.3 34 41 A K H 3< S+ 0 0 157 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.792 95.3 61.0 -60.6 -24.8 -18.7 23.8 55.9 35 42 A E T << S+ 0 0 148 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.731 121.2 19.3 -73.6 -23.3 -16.0 24.7 58.5 36 43 A V T <4 S+ 0 0 57 -3,-1.5 -2,-0.2 -4,-0.3 -1,-0.1 0.619 106.3 85.6-122.0 -23.6 -15.1 28.0 56.8 37 44 A A S < S- 0 0 15 -4,-3.2 15,-0.2 1,-0.1 3,-0.2 -0.436 71.3-132.2 -83.2 155.6 -18.0 28.9 54.4 38 45 A D S S+ 0 0 101 13,-2.3 2,-0.3 1,-0.3 14,-0.2 0.809 92.7 0.3 -71.4 -29.7 -21.1 30.9 55.4 39 46 A E E -B 51 0B 116 12,-1.2 12,-3.2 -6,-0.1 2,-0.4 -0.967 61.9-165.1-160.5 138.9 -23.2 28.3 53.7 40 47 A V E +B 50 0B 33 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -1.000 16.1 170.6-130.8 133.8 -22.6 25.1 51.7 41 48 A K E -B 49 0B 98 8,-2.2 8,-3.3 -2,-0.4 2,-0.4 -0.947 25.5-139.5-137.9 158.2 -25.2 23.4 49.5 42 49 A V E -B 48 0B 62 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.984 23.2-147.4-118.4 130.0 -25.3 20.6 47.0 43 50 A D > - 0 0 39 4,-1.9 3,-1.0 -2,-0.4 167,-0.0 -0.199 34.8 -85.8 -90.8-174.4 -27.4 21.0 43.8 44 51 A K T 3 S+ 0 0 212 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.692 128.1 47.7 -68.9 -21.8 -29.4 18.5 41.7 45 52 A L T 3 S- 0 0 70 161,-0.1 -1,-0.3 2,-0.1 -26,-0.1 0.592 123.4-103.5 -91.2 -11.9 -26.4 17.5 39.6 46 53 A G < + 0 0 14 -3,-1.0 -2,-0.1 1,-0.3 2,-0.1 0.484 65.3 154.6 105.7 3.8 -24.3 17.1 42.7 47 54 A N - 0 0 0 159,-0.1 -4,-1.9 151,-0.1 2,-0.6 -0.386 40.3-134.7 -60.1 139.1 -22.2 20.4 42.6 48 55 A V E -BC 42 196B 0 148,-2.6 148,-2.3 -6,-0.2 2,-0.6 -0.885 23.6-171.2 -94.5 123.0 -20.9 21.5 45.9 49 56 A I E -BC 41 195B 3 -8,-3.3 -8,-2.2 -2,-0.6 2,-0.5 -0.943 3.2-173.9-121.0 110.6 -21.5 25.3 46.2 50 57 A A E -BC 40 194B 0 144,-2.8 144,-2.9 -2,-0.6 2,-0.5 -0.915 11.5-149.9-108.6 126.4 -19.9 27.0 49.2 51 58 A H E -BC 39 193B 22 -12,-3.2 -13,-2.3 -2,-0.5 -12,-1.2 -0.840 13.3-174.1-101.3 120.7 -20.7 30.7 49.8 52 59 A F E - C 0 192B 9 140,-3.2 140,-2.1 -2,-0.5 -15,-0.1 -0.908 35.6-129.4-107.6 98.4 -18.2 33.0 51.4 53 60 A K + 0 0 129 -2,-0.7 2,-0.2 138,-0.2 135,-0.1 -0.170 45.8 139.5 -60.7 134.0 -20.3 36.2 51.8 54 61 A G - 0 0 34 1,-0.1 137,-0.3 135,-0.0 136,-0.2 -0.776 50.9-103.5-150.6-162.4 -18.9 39.4 50.5 55 62 A S S S+ 0 0 93 134,-2.7 135,-0.2 1,-0.3 -1,-0.1 0.916 73.3 24.5 -98.6 -67.7 -19.8 42.6 48.7 56 63 A S S S+ 0 0 35 133,-1.7 -1,-0.3 1,-0.2 2,-0.1 -0.955 94.7 25.3-174.8 145.7 -18.7 42.8 45.1 57 64 A P S S- 0 0 3 0, 0.0 134,-1.7 0, 0.0 2,-0.6 0.642 72.1-131.4 -77.7 165.4 -17.9 41.6 42.5 58 65 A R E -d 191 0B 75 132,-0.2 159,-2.6 -2,-0.1 160,-2.1 -0.724 32.0-172.5 -80.4 118.2 -19.6 38.2 42.7 59 66 A I E -de 192 218B 2 132,-2.8 134,-3.1 -2,-0.6 2,-0.5 -0.933 17.2-159.9-118.2 138.7 -17.0 35.6 41.8 60 67 A M E -de 193 219B 0 158,-2.4 160,-2.8 -2,-0.4 2,-0.5 -0.961 6.7-169.5-111.1 127.1 -17.3 31.8 41.2 61 68 A V E -de 194 220B 5 132,-3.0 134,-3.4 -2,-0.5 2,-0.4 -0.978 11.9-170.4-113.7 130.5 -14.2 29.7 41.5 62 69 A A E +de 195 221B 0 158,-2.5 160,-3.3 -2,-0.5 2,-0.4 -0.981 19.1 171.0-129.6 131.9 -14.6 26.1 40.2 63 70 A A E -d 196 0B 0 132,-2.0 134,-2.0 -2,-0.4 2,-0.3 -0.988 38.6-115.2-127.4 140.9 -12.4 23.0 40.4 64 71 A H E -d 197 0B 0 158,-0.5 111,-0.2 -2,-0.4 134,-0.2 -0.581 17.0-163.2 -90.5 140.8 -13.9 19.7 39.3 65 72 A M + 0 0 0 132,-3.4 133,-0.2 -2,-0.3 -1,-0.1 0.711 60.7 98.5 -84.5 -22.3 -14.6 16.8 41.6 66 73 A D - 0 0 0 131,-0.7 2,-0.3 105,-0.1 -49,-0.3 -0.394 55.1-156.0 -78.4 146.5 -15.0 14.2 38.9 67 74 A K B -a 17 0A 2 -51,-1.9 -49,-1.8 -2,-0.1 2,-0.1 -0.811 26.2-109.5-105.0 151.4 -12.3 11.7 37.7 68 75 A I + 0 0 4 102,-0.3 84,-0.4 -2,-0.3 2,-0.2 -0.458 57.5 140.7 -67.1 156.8 -12.2 10.0 34.4 69 76 A G E -I 86 0C 1 17,-2.5 17,-3.4 82,-0.1 2,-0.3 -0.847 41.6 -87.5-170.8-156.1 -13.0 6.3 34.7 70 77 A V E -IJ 85 150C 2 80,-2.4 80,-2.4 15,-0.3 2,-0.4 -0.897 19.6-148.9-138.7 164.2 -14.7 3.3 33.2 71 78 A M E -IJ 84 149C 53 13,-2.8 13,-2.4 -2,-0.3 2,-0.5 -0.993 26.7-112.4-135.7 142.8 -18.1 1.6 33.2 72 79 A V E -I 83 0C 1 76,-2.7 75,-2.8 -2,-0.4 11,-0.3 -0.657 27.8-178.1 -74.4 120.4 -19.0 -2.1 32.9 73 80 A N E - 0 0 91 9,-3.2 2,-0.3 -2,-0.5 10,-0.2 0.893 66.2 -24.6 -83.0 -50.2 -20.9 -2.6 29.6 74 81 A H E -I 82 0C 81 8,-1.3 8,-2.7 72,-0.1 2,-0.4 -0.985 53.4-124.9-158.6 163.9 -21.5 -6.3 30.1 75 82 A I E -I 81 0C 11 -2,-0.3 6,-0.2 6,-0.2 61,-0.1 -0.953 31.9-138.3-112.1 132.4 -20.2 -9.4 31.9 76 83 A D > - 0 0 35 4,-2.6 3,-2.4 -2,-0.4 6,-0.0 -0.317 29.5 -94.6 -92.9 175.8 -19.5 -12.4 29.8 77 84 A K T 3 S+ 0 0 162 1,-0.3 59,-1.1 2,-0.1 60,-0.2 0.747 124.1 52.7 -63.5 -22.7 -20.2 -16.0 30.4 78 85 A D T 3 S- 0 0 80 57,-0.3 -1,-0.3 58,-0.1 57,-0.1 0.335 121.6-104.0 -96.0 7.9 -16.7 -16.6 31.9 79 86 A G S < S+ 0 0 1 -3,-2.4 52,-0.4 1,-0.3 54,-0.4 0.553 73.6 139.5 87.7 8.7 -17.1 -13.8 34.3 80 87 A Y - 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