==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-NOV-11 3UFC . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR H.M.PARK,J.S.KIM . 243 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12466.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 29.6 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 24 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 0 0 0 0 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 3 1 2 1 0 3 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 X G 0 0 61 0, 0.0 84,-0.1 0, 0.0 82,-0.1 0.000 360.0 360.0 360.0 -22.9 -21.8 26.3 15.3 2 0 X G - 0 0 6 82,-0.7 2,-0.3 80,-0.1 82,-0.3 0.017 360.0 -95.7 60.6-175.5 -21.0 26.5 11.6 3 1 X M E -A 83 0A 80 80,-2.0 80,-1.7 220,-0.1 2,-0.4 -0.985 17.5-151.8-144.2 153.6 -20.8 29.8 9.7 4 2 X R E -A 82 0A 11 113,-0.5 113,-3.0 -2,-0.3 2,-0.3 -0.986 22.8-175.4-124.1 129.2 -23.0 32.0 7.5 5 3 X I E -AB 81 116A 2 76,-3.0 76,-2.1 -2,-0.4 2,-0.5 -0.887 20.2-142.4-128.6 160.5 -21.4 34.3 4.9 6 4 X E E -AB 80 115A 23 109,-3.1 109,-2.7 -2,-0.3 2,-0.5 -0.985 12.6-161.6-121.9 127.5 -22.5 37.0 2.4 7 5 X I E -AB 79 114A 0 72,-2.9 72,-2.3 -2,-0.5 2,-0.4 -0.950 9.4-148.9-111.9 120.3 -20.8 37.2 -1.0 8 6 X K E -AB 78 113A 35 105,-3.0 104,-2.5 -2,-0.5 105,-1.1 -0.748 15.2-156.6 -88.7 135.4 -21.2 40.5 -2.8 9 7 X L E -AB 77 111A 5 68,-2.5 68,-0.5 -2,-0.4 102,-0.2 -0.917 9.5-160.3-117.4 142.6 -21.2 40.1 -6.6 10 8 X L E - B 0 110A 56 100,-2.5 100,-2.8 -2,-0.4 2,-0.2 -0.976 18.6-135.8-121.1 117.7 -20.3 42.7 -9.2 11 9 X P E - B 0 109A 8 0, 0.0 98,-0.2 0, 0.0 4,-0.1 -0.547 3.7-147.5 -74.0 136.8 -21.6 42.2 -12.8 12 10 X L S S+ 0 0 88 96,-2.1 2,-0.2 -2,-0.2 97,-0.1 0.858 84.3 54.6 -70.8 -35.2 -18.9 42.8 -15.4 13 11 X Q S S- 0 0 79 95,-0.5 2,-0.3 1,-0.0 94,-0.0 -0.625 92.7-110.4 -97.4 157.8 -21.6 44.0 -17.9 14 12 X D S S- 0 0 147 1,-0.2 59,-0.1 -2,-0.2 -2,-0.1 -0.679 89.8 -5.6 -91.8 143.1 -24.2 46.8 -17.2 15 13 X N S S- 0 0 100 -2,-0.3 -1,-0.2 1,-0.1 58,-0.1 0.870 90.3-178.6 44.2 46.5 -27.9 46.1 -16.7 16 14 X P - 0 0 13 0, 0.0 56,-2.8 0, 0.0 2,-0.5 -0.251 24.6-133.7 -72.6 163.3 -27.3 42.4 -17.6 17 15 X V E -F 71 0B 55 54,-0.2 89,-0.3 51,-0.0 54,-0.2 -0.977 20.8-165.8-120.2 116.7 -30.1 39.8 -17.8 18 16 X I E -F 70 0B 0 52,-2.6 52,-3.4 -2,-0.5 87,-0.1 -0.753 27.5-104.2-101.4 150.4 -29.4 36.5 -16.1 19 17 X P - 0 0 44 0, 0.0 3,-0.3 0, 0.0 50,-0.2 -0.315 23.2-128.0 -67.9 157.0 -31.5 33.4 -16.7 20 18 X F S S+ 0 0 60 1,-0.2 2,-1.2 2,-0.1 3,-0.2 0.877 98.5 60.7 -72.3 -38.8 -33.9 32.4 -13.9 21 19 X N + 0 0 64 1,-0.2 -1,-0.2 174,-0.1 177,-0.2 -0.510 59.0 128.5 -93.8 69.1 -32.7 28.8 -13.6 22 20 X Y > + 0 0 1 -2,-1.2 4,-2.8 -3,-0.3 5,-0.3 0.425 34.5 108.0-101.1 0.7 -29.0 29.1 -12.6 23 21 X N H > S+ 0 0 0 173,-0.3 4,-2.9 1,-0.2 5,-0.2 0.879 80.9 42.4 -46.6 -55.1 -29.0 26.8 -9.6 24 22 X Y H > S+ 0 0 88 172,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.883 115.8 49.8 -64.1 -37.4 -27.0 23.9 -11.0 25 23 X E H > S+ 0 0 71 -3,-0.2 4,-1.9 -4,-0.2 -1,-0.2 0.910 114.7 43.9 -66.2 -42.7 -24.5 26.2 -12.7 26 24 X L H X S+ 0 0 2 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.945 114.1 50.4 -66.3 -48.8 -23.9 28.2 -9.5 27 25 X Y H X S+ 0 0 16 -4,-2.9 4,-2.5 -5,-0.3 5,-0.2 0.917 109.5 52.0 -52.8 -49.0 -23.7 25.1 -7.4 28 26 X S H X S+ 0 0 42 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.900 109.3 48.6 -57.8 -45.4 -21.2 23.5 -9.8 29 27 X Q H X S+ 0 0 32 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.895 110.8 49.9 -65.3 -40.8 -18.9 26.5 -9.7 30 28 X I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.950 114.7 44.6 -62.8 -47.3 -18.9 26.8 -5.9 31 29 X V H X S+ 0 0 9 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.911 113.4 51.0 -62.9 -42.7 -18.1 23.0 -5.6 32 30 X E H X S+ 0 0 114 -4,-2.8 4,-1.5 -5,-0.2 -2,-0.2 0.946 113.1 45.4 -60.3 -47.9 -15.4 23.3 -8.4 33 31 X K H X S+ 0 0 12 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.899 115.7 45.5 -64.0 -41.7 -13.8 26.3 -6.6 34 32 X A H >X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 3,-0.8 0.880 109.7 55.1 -70.2 -37.7 -13.9 24.7 -3.1 35 33 X G H 3< S+ 0 0 10 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.820 96.4 65.2 -65.1 -31.6 -12.6 21.3 -4.4 36 34 X A H 3< S+ 0 0 57 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.811 111.5 36.3 -60.8 -30.2 -9.5 22.9 -6.0 37 35 X I H << S+ 0 0 54 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.752 137.9 12.3 -94.4 -28.5 -8.4 23.9 -2.5 38 36 X E >< - 0 0 32 -4,-1.7 3,-2.0 53,-0.1 4,-0.3 -0.643 58.8-173.3-153.3 88.2 -9.6 20.8 -0.6 39 37 X P G > S+ 0 0 89 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.674 80.9 73.1 -54.9 -19.4 -10.7 17.8 -2.7 40 38 X R G 3 S+ 0 0 167 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.669 91.3 52.6 -74.0 -18.0 -11.9 16.1 0.5 41 39 X I G <> S+ 0 0 8 -3,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.468 84.1 86.7 -96.3 -1.6 -14.9 18.3 1.0 42 40 X V H <> S+ 0 0 35 -3,-0.8 4,-2.3 -4,-0.3 5,-0.2 0.904 86.9 54.1 -62.6 -39.4 -16.3 17.7 -2.5 43 41 X K H > S+ 0 0 130 -4,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.862 111.2 45.5 -62.5 -36.4 -18.1 14.6 -1.3 44 42 X L H 4 S+ 0 0 38 -4,-0.3 7,-0.7 2,-0.2 3,-0.4 0.895 112.0 51.9 -72.7 -41.0 -19.8 16.6 1.5 45 43 X L H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.850 115.0 41.2 -63.3 -36.4 -20.7 19.4 -0.9 46 44 X E H < S+ 0 0 106 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.526 85.9 117.9 -91.6 -7.8 -22.3 17.0 -3.4 47 45 X S >< - 0 0 18 -4,-0.7 3,-1.6 -3,-0.4 4,-0.4 -0.382 64.0-138.7 -64.5 132.6 -24.1 14.8 -0.9 48 46 X P T 3 S+ 0 0 98 0, 0.0 181,-0.5 0, 0.0 182,-0.2 0.561 95.0 79.1 -68.3 -6.1 -27.9 14.9 -1.2 49 47 X H T 3 S- 0 0 71 179,-0.1 124,-0.2 180,-0.1 123,-0.1 0.552 105.4-120.4 -79.1 -5.1 -28.2 15.0 2.6 50 48 X G < - 0 0 0 -3,-1.6 -5,-0.1 -6,-0.1 123,-0.1 0.999 38.2-179.8 66.6 76.5 -27.4 18.7 2.5 51 49 X Y S S+ 0 0 28 -7,-0.7 34,-0.5 -4,-0.4 33,-0.4 0.452 76.1 4.1 -82.2 -1.5 -24.2 19.5 4.5 52 50 X W - 0 0 0 172,-0.2 2,-0.3 31,-0.2 31,-0.2 -0.955 66.8-149.0-165.4 177.0 -24.7 23.1 3.5 53 51 X T E -C 82 0A 0 29,-2.4 29,-2.4 170,-0.3 2,-0.3 -0.957 3.4-160.4-152.5 164.8 -27.1 25.5 1.7 54 52 X F E -C 81 0A 0 176,-0.7 182,-0.4 -2,-0.3 27,-0.2 -0.986 19.1-118.5-149.9 155.2 -27.1 28.7 -0.3 55 53 X S - 0 0 0 25,-2.7 77,-0.3 -2,-0.3 2,-0.2 -0.210 33.9 -94.4 -84.9 177.3 -29.6 31.4 -1.2 56 54 X R - 0 0 31 75,-2.2 2,-0.5 180,-0.1 24,-0.4 -0.477 62.6 -80.1 -82.0 163.6 -30.9 32.6 -4.5 57 55 X I - 0 0 2 -2,-0.2 2,-0.7 22,-0.1 22,-0.2 -0.584 50.1-143.3 -69.7 119.5 -28.9 35.6 -5.9 58 56 X I E -D 78 0A 66 20,-3.2 20,-2.7 -2,-0.5 2,-0.6 -0.794 19.0-173.1 -92.1 112.6 -30.4 38.5 -4.0 59 57 X I E -D 77 0A 12 -2,-0.7 3,-0.2 18,-0.2 18,-0.2 -0.922 18.6-152.1-110.6 117.5 -30.7 41.6 -6.2 60 58 X R S S+ 0 0 197 16,-2.2 2,-0.5 -2,-0.6 -1,-0.1 0.888 89.9 24.2 -52.8 -47.0 -31.8 44.9 -4.6 61 59 X K S S+ 0 0 129 15,-0.3 12,-2.6 2,-0.0 2,-0.3 -0.946 83.0 153.6-128.2 111.1 -33.3 46.3 -7.8 62 60 X R E -G 72 0B 106 -2,-0.5 2,-0.4 -3,-0.2 10,-0.2 -0.871 29.8-151.0-133.7 165.1 -34.5 43.8 -10.4 63 61 X E E -G 71 0B 96 8,-1.6 8,-3.1 -2,-0.3 2,-0.6 -0.975 19.1-133.6-141.2 122.4 -36.9 43.4 -13.3 64 62 X I E -G 70 0B 84 -2,-0.4 6,-0.2 6,-0.2 -2,-0.0 -0.659 17.6-165.0 -78.8 118.8 -38.5 40.2 -14.4 65 63 X I E >> -G 69 0B 48 4,-2.6 4,-2.1 -2,-0.6 3,-1.2 -0.864 24.2-126.4-107.1 98.0 -38.3 39.9 -18.2 66 64 X P T 34 S+ 0 0 101 0, 0.0 4,-0.0 0, 0.0 -2,-0.0 -0.105 91.7 8.3 -44.2 130.8 -40.7 37.1 -19.2 67 65 X E T 34 S+ 0 0 185 1,-0.1 0, 0.0 0, 0.0 0, 0.0 0.822 128.9 60.5 63.4 34.1 -38.9 34.5 -21.4 68 66 X K T <4 S- 0 0 155 -3,-1.2 2,-0.3 1,-0.1 -1,-0.1 0.373 95.5-118.6-150.5 -48.6 -35.5 36.1 -20.8 69 67 X G E < - G 0 65B 0 -4,-2.1 -4,-2.6 -50,-0.2 2,-0.5 -0.983 52.4 -22.0 138.4-149.2 -34.6 36.1 -17.1 70 68 X I E -FG 18 64B 1 -52,-3.4 -52,-2.6 -2,-0.3 2,-0.7 -0.908 51.2-145.9-107.4 123.4 -33.9 38.6 -14.4 71 69 X K E -FG 17 63B 63 -8,-3.1 -8,-1.6 -2,-0.5 2,-0.6 -0.800 15.1-139.7 -91.5 117.5 -32.7 42.1 -15.4 72 70 X I E + G 0 62B 2 -56,-2.8 -10,-0.2 -2,-0.7 -57,-0.1 -0.665 26.0 173.3 -80.1 116.4 -30.2 43.5 -12.9 73 71 X L + 0 0 54 -12,-2.6 2,-0.3 -2,-0.6 -11,-0.2 0.054 62.1 44.9-109.9 23.2 -30.8 47.2 -12.3 74 72 X S - 0 0 29 -13,-0.2 -14,-0.0 1,-0.0 -1,-0.0 -0.989 65.8-135.4-162.5 154.7 -28.3 47.5 -9.4 75 73 X D S S+ 0 0 107 -2,-0.3 2,-1.4 1,-0.1 -66,-0.1 0.453 82.2 100.3 -89.9 -3.6 -24.8 46.7 -8.4 76 74 X D + 0 0 66 -68,-0.1 -16,-2.2 -15,-0.1 2,-0.4 -0.682 51.3 149.4 -86.7 88.7 -26.1 45.7 -4.9 77 75 X I E -AD 9 59A 0 -2,-1.4 -68,-2.5 -68,-0.5 2,-0.3 -0.988 21.8-174.2-127.9 130.1 -26.1 41.9 -5.4 78 76 X S E -AD 8 58A 5 -20,-2.7 -20,-3.2 -2,-0.4 2,-0.4 -0.940 16.1-166.2-130.1 148.8 -25.6 39.3 -2.7 79 77 X L E -A 7 0A 0 -72,-2.3 -72,-2.9 -2,-0.3 2,-0.4 -0.997 17.7-155.4-128.3 121.2 -25.3 35.5 -2.5 80 78 X Y E -A 6 0A 46 -2,-0.4 -25,-2.7 -24,-0.4 2,-0.3 -0.815 11.3-176.6-102.8 141.9 -25.6 34.0 1.0 81 79 X I E +AC 5 54A 0 -76,-2.1 -76,-3.0 -2,-0.4 2,-0.3 -0.980 4.0 176.7-134.6 145.1 -24.0 30.6 2.0 82 80 X S E +AC 4 53A 3 -29,-2.4 -29,-2.4 -2,-0.3 2,-0.3 -0.994 8.2 165.5-150.1 155.5 -24.2 28.7 5.2 83 81 X S E -A 3 0A 0 -80,-1.7 -80,-2.0 -2,-0.3 141,-0.2 -0.954 39.0-133.8-165.5 148.9 -23.2 25.4 6.8 84 82 X S S S+ 0 0 20 -33,-0.4 2,-0.8 -2,-0.3 -82,-0.7 0.682 94.8 80.4 -77.8 -16.9 -23.0 23.9 10.3 85 83 X N >> - 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