==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-NOV-07 3BDI . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN TA0194; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM DSM 1728; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 207 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 19 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 2 0 1 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 . 0 0 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 0 A G 0 0 125 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-175.3 6.0 30.6 4.5 2 1 A X - 0 0 98 19,-0.1 2,-0.4 21,-0.0 21,-0.1 -0.551 360.0-179.9 -80.1 132.7 9.2 30.5 6.6 3 2 A A - 0 0 52 -2,-0.3 2,-0.8 19,-0.3 19,-0.4 -0.988 30.7-133.0-132.1 137.7 9.1 28.5 9.8 4 3 A L - 0 0 60 -2,-0.4 2,-0.4 17,-0.1 17,-0.2 -0.856 31.6-159.7 -89.7 111.5 11.6 27.8 12.5 5 4 A Q E -A 20 0A 81 15,-2.7 15,-2.6 -2,-0.8 2,-0.4 -0.756 9.4-167.6 -94.9 133.7 11.2 24.0 13.0 6 5 A E E +A 19 0A 98 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.991 29.2 134.6-123.0 126.4 12.4 22.5 16.3 7 6 A E E -A 18 0A 56 11,-2.5 11,-3.0 -2,-0.4 2,-0.4 -0.967 51.8-101.7-161.9 169.1 12.7 18.7 16.2 8 7 A F E -A 17 0A 86 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.915 32.6-170.1-109.7 135.5 14.7 15.6 17.1 9 8 A I E -A 16 0A 28 7,-2.9 7,-3.0 -2,-0.4 2,-0.6 -0.909 23.3-122.6-119.4 145.6 16.7 13.8 14.4 10 9 A D E -A 15 0A 102 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.866 22.7-172.0 -87.4 123.7 18.5 10.4 14.7 11 10 A V E > S-A 14 0A 0 3,-2.6 3,-1.8 -2,-0.6 82,-0.1 -0.899 73.9 -46.1-114.4 95.2 22.1 10.7 13.8 12 11 A N T 3 S- 0 0 107 -2,-0.6 63,-0.1 1,-0.3 3,-0.1 0.838 123.7 -35.0 45.1 44.9 23.4 7.1 13.7 13 12 A G T 3 S+ 0 0 61 1,-0.3 2,-0.5 62,-0.0 -1,-0.3 0.324 115.4 109.9 100.3 -5.5 21.7 6.1 16.9 14 13 A T E < -A 11 0A 11 -3,-1.8 -3,-2.6 59,-0.1 2,-0.9 -0.910 66.8-131.5-106.1 127.5 22.1 9.4 18.8 15 14 A R E -A 10 0A 143 -2,-0.5 56,-2.6 57,-0.2 2,-0.5 -0.661 31.5-170.8 -81.3 104.3 19.0 11.5 19.4 16 15 A V E -A 9 0A 0 -7,-3.0 -7,-2.9 -2,-0.9 2,-0.4 -0.835 16.9-142.0-104.6 127.7 19.9 15.0 18.4 17 16 A F E +A 8 0A 10 -2,-0.5 46,-2.4 46,-0.3 2,-0.3 -0.706 30.6 175.0 -79.9 135.5 17.8 18.2 19.0 18 17 A Q E -AB 7 62A 0 -11,-3.0 -11,-2.5 -2,-0.4 2,-0.4 -0.994 27.5-151.4-141.6 157.5 17.9 20.7 16.1 19 18 A R E +AB 6 61A 6 42,-2.5 42,-2.2 -2,-0.3 2,-0.3 -0.967 27.2 173.1-118.7 136.2 16.5 23.9 15.0 20 19 A K E -AB 5 60A 33 -15,-2.6 -15,-2.7 -2,-0.4 2,-0.4 -0.996 29.0-165.4-147.6 150.8 16.1 24.6 11.3 21 20 A X E + B 0 59A 6 38,-2.2 38,-2.5 -2,-0.3 2,-0.3 -0.932 38.7 149.7-133.1 106.2 14.7 27.1 8.8 22 21 A V - 0 0 38 -19,-0.4 2,-0.3 -2,-0.4 -19,-0.3 -0.944 32.1-166.4-138.5 158.0 14.7 25.7 5.3 23 22 A T > - 0 0 50 -2,-0.3 3,-1.4 -21,-0.1 -2,-0.0 -0.982 32.5-124.0-142.9 145.0 13.0 25.6 2.0 24 23 A D T 3 S+ 0 0 112 -2,-0.3 34,-0.0 1,-0.3 -1,-0.0 0.636 107.0 61.4 -63.2 -19.3 13.5 23.0 -0.8 25 24 A S T 3 S+ 0 0 95 2,-0.0 -1,-0.3 -3,-0.0 2,-0.1 0.682 77.5 102.3 -77.0 -27.5 14.4 25.8 -3.3 26 25 A N < - 0 0 40 -3,-1.4 31,-0.1 1,-0.1 30,-0.0 -0.383 49.6-168.8 -64.7 141.4 17.4 27.1 -1.5 27 26 A R + 0 0 121 29,-0.4 2,-0.4 -2,-0.1 -1,-0.1 0.127 67.2 74.8-115.0 15.5 20.7 26.0 -3.1 28 27 A R E -c 57 0A 83 28,-0.6 30,-3.3 2,-0.0 2,-0.3 -0.993 59.2-171.9-132.3 136.5 22.7 27.2 -0.1 29 28 A S E -c 58 0A 15 -2,-0.4 74,-2.8 28,-0.3 2,-0.4 -0.955 7.3-175.8-127.9 147.6 23.1 25.7 3.4 30 29 A I E -cd 59 103A 0 28,-3.0 30,-2.3 -2,-0.3 2,-0.4 -0.995 7.1-163.2-139.0 136.5 24.6 26.8 6.6 31 30 A A E -cd 60 104A 0 72,-2.0 74,-2.8 -2,-0.4 2,-0.4 -0.978 10.3-148.5-121.8 137.8 24.9 24.8 9.8 32 31 A L E - d 0 105A 0 28,-2.5 2,-0.5 -2,-0.4 74,-0.2 -0.919 7.3-165.0-115.2 129.8 25.7 26.4 13.2 33 32 A F E - d 0 106A 5 72,-2.1 74,-2.3 -2,-0.4 77,-0.1 -0.965 17.2-138.8-125.3 119.9 27.6 24.7 16.0 34 33 A H - 0 0 3 28,-0.5 76,-0.3 -2,-0.5 2,-0.1 -0.159 14.0-106.6 -77.3 167.3 27.6 26.1 19.5 35 34 A G > - 0 0 1 74,-0.2 3,-1.4 4,-0.1 73,-0.1 -0.304 41.5 -92.8 -83.3 170.5 30.1 26.7 22.3 36 35 A Y T 3 S+ 0 0 156 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.808 123.4 44.4 -52.5 -37.5 30.5 24.7 25.5 37 36 A S T 3 S+ 0 0 95 30,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.461 112.6 48.9 -95.3 -3.4 28.3 27.2 27.5 38 37 A F < - 0 0 58 -3,-1.4 2,-0.3 3,-0.0 30,-0.1 -0.620 62.0-149.3-131.3 177.4 25.5 27.7 25.0 39 38 A T > - 0 0 30 -2,-0.2 3,-1.5 24,-0.1 4,-0.3 -0.824 46.2 -79.1-135.9-174.5 23.0 25.7 22.8 40 39 A S G > S+ 0 0 0 1,-0.3 3,-0.7 -2,-0.3 4,-0.1 0.715 122.9 67.3 -63.6 -18.8 21.1 26.0 19.6 41 40 A X G > S+ 0 0 56 1,-0.2 3,-1.8 2,-0.1 -1,-0.3 0.808 87.1 68.1 -66.8 -28.1 18.6 28.2 21.5 42 41 A D G X S+ 0 0 54 -3,-1.5 3,-1.3 1,-0.3 4,-0.3 0.646 78.4 75.4 -76.7 -12.2 21.2 30.9 21.9 43 42 A W G X >S+ 0 0 2 -3,-0.7 5,-1.8 -4,-0.3 3,-0.5 0.585 78.3 80.7 -69.0 -11.3 21.3 31.8 18.2 44 43 A D G X 5S+ 0 0 83 -3,-1.8 3,-1.2 1,-0.2 -1,-0.3 0.806 78.2 68.5 -58.9 -33.8 17.9 33.5 19.0 45 44 A K G < 5S+ 0 0 122 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.870 110.1 31.6 -62.7 -36.7 19.8 36.5 20.4 46 45 A A G < 5S- 0 0 6 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.258 105.1-126.2-100.0 10.2 21.1 37.5 16.9 47 46 A D T <>5 + 0 0 75 -3,-1.2 4,-2.4 -4,-0.2 -3,-0.2 0.890 47.2 166.7 51.5 45.1 18.1 36.2 15.1 48 47 A L H >< + 0 0 0 -5,-1.8 4,-2.3 1,-0.2 5,-0.3 0.812 63.6 57.9 -68.6 -28.6 20.4 34.1 12.9 49 48 A F H > S+ 0 0 6 -6,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.979 113.4 38.0 -66.4 -52.0 17.8 31.9 11.3 50 49 A N H > S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.909 117.0 52.1 -63.5 -44.7 15.8 34.8 9.8 51 50 A N H < S+ 0 0 46 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.867 115.9 38.4 -64.5 -37.0 19.0 36.7 9.0 52 51 A Y H ><>S+ 0 0 0 -4,-2.3 5,-1.9 -5,-0.2 3,-0.9 0.838 113.2 56.3 -81.8 -30.2 20.7 33.9 7.1 53 52 A S H ><5S+ 0 0 15 -4,-2.3 3,-1.8 -5,-0.3 -2,-0.2 0.833 98.6 61.8 -64.1 -34.9 17.5 32.7 5.5 54 53 A K T 3<5S+ 0 0 164 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.641 102.1 51.5 -71.2 -15.5 16.8 36.1 4.0 55 54 A I T < 5S- 0 0 25 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 -0.002 129.7 -94.4-105.4 22.2 20.1 35.8 2.0 56 55 A G T < 5S+ 0 0 21 -3,-1.8 -28,-0.6 1,-0.2 2,-0.4 0.570 79.2 135.8 82.7 14.1 19.0 32.4 0.6 57 56 A Y E < - c 0 28A 13 -5,-1.9 2,-0.4 -30,-0.1 -28,-0.3 -0.770 52.6-134.1 -92.0 133.9 20.7 29.9 3.0 58 57 A N E - c 0 29A 14 -30,-3.3 -28,-3.0 -2,-0.4 2,-0.5 -0.773 32.9-146.0 -73.2 131.9 18.9 26.9 4.5 59 58 A V E +Bc 21 30A 0 -38,-2.5 -38,-2.2 -2,-0.4 2,-0.4 -0.917 22.5 176.8-116.6 128.7 19.9 27.1 8.2 60 59 A Y E +Bc 20 31A 17 -30,-2.3 -28,-2.5 -2,-0.5 -40,-0.2 -0.978 2.8 175.0-128.7 138.3 20.5 24.1 10.6 61 60 A A E -B 19 0A 0 -42,-2.2 -42,-2.5 -2,-0.4 2,-0.2 -0.850 7.8-174.8-147.1 107.5 21.6 24.2 14.2 62 61 A P E -B 18 0A 1 0, 0.0 2,-0.5 0, 0.0 -28,-0.5 -0.620 31.5-116.0 -92.9 160.2 21.9 21.1 16.5 63 62 A D - 0 0 0 -46,-2.4 -46,-0.3 -2,-0.2 3,-0.1 -0.843 45.2-114.6 -83.1 126.5 22.7 20.7 20.2 64 63 A Y > - 0 0 5 -2,-0.5 3,-2.5 1,-0.1 6,-0.3 -0.404 43.5 -84.8 -60.9 140.5 26.0 18.8 20.2 65 64 A P T 3 S+ 0 0 2 0, 0.0 13,-0.3 0, 0.0 7,-0.3 -0.226 121.2 24.5 -47.0 130.5 25.6 15.3 21.7 66 65 A G T 3 S+ 0 0 45 5,-0.7 2,-0.3 4,-0.6 6,-0.2 0.305 113.1 85.0 91.4 -3.1 25.9 15.6 25.4 67 66 A F S X S- 0 0 32 -3,-2.5 3,-2.2 4,-0.2 -1,-0.3 -0.840 90.7 -16.0-128.2 159.6 24.9 19.2 25.4 68 67 A G T 3 S- 0 0 51 -2,-0.3 -29,-0.1 1,-0.3 -2,-0.0 -0.248 126.4 -20.8 53.1-123.8 21.5 21.1 25.5 69 68 A R T 3 S+ 0 0 138 -52,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.332 109.9 107.4-100.1 4.5 18.6 18.8 24.6 70 69 A S S < S- 0 0 12 -3,-2.2 -4,-0.6 -6,-0.3 -54,-0.2 -0.575 71.6-109.0 -91.7 148.6 20.7 16.1 22.8 71 70 A A - 0 0 42 -56,-2.6 -5,-0.7 -2,-0.2 -4,-0.2 -0.291 36.2 -99.9 -67.2 153.3 21.5 12.7 24.1 72 71 A S - 0 0 104 -7,-0.3 2,-0.3 -6,-0.2 -57,-0.2 -0.262 44.3-153.0 -60.8 160.0 24.9 11.7 25.2 73 72 A S > - 0 0 17 -8,-0.1 4,-1.5 1,-0.1 -59,-0.1 -0.958 29.3-162.9-148.8 126.5 26.8 9.7 22.6 74 73 A E T 4 S+ 0 0 191 -2,-0.3 -1,-0.1 2,-0.2 -60,-0.0 0.902 100.8 46.0 -68.7 -42.4 29.5 7.0 22.5 75 74 A K T 4 S+ 0 0 103 1,-0.2 -1,-0.2 -63,-0.1 14,-0.1 0.859 129.9 20.4 -67.5 -39.3 30.2 7.6 18.8 76 75 A Y T 4 S+ 0 0 0 12,-0.1 -2,-0.2 13,-0.1 -1,-0.2 0.460 87.2 128.1-112.8 -5.9 30.2 11.5 19.0 77 76 A G < - 0 0 13 -4,-1.5 5,-0.3 1,-0.1 3,-0.2 -0.225 42.2-159.4 -63.7 146.1 30.9 12.4 22.6 78 77 A I > + 0 0 19 -13,-0.3 3,-2.1 1,-0.2 -1,-0.1 0.273 59.2 112.5-110.0 14.6 33.7 14.8 23.2 79 78 A D T 3 S+ 0 0 160 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.775 82.4 45.8 -52.7 -35.0 34.3 13.9 26.9 80 79 A R T 3 S- 0 0 237 -3,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.177 119.2-107.5 -99.1 12.8 37.7 12.4 26.1 81 80 A G < + 0 0 59 -3,-2.1 2,-1.3 1,-0.2 3,-0.1 0.703 64.2 152.8 75.2 22.6 38.8 15.3 23.9 82 81 A D >> + 0 0 68 -5,-0.3 3,-1.6 1,-0.2 4,-0.6 -0.662 17.8 178.4 -92.7 94.7 38.5 13.5 20.5 83 82 A L H 3> S+ 0 0 20 -2,-1.3 4,-1.6 1,-0.3 3,-0.5 0.737 77.3 69.3 -66.8 -24.7 37.8 16.3 18.0 84 83 A K H 3> S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.827 92.4 61.6 -62.5 -27.3 37.8 13.8 15.2 85 84 A H H <> S+ 0 0 55 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.852 102.4 51.1 -60.7 -37.3 34.5 12.6 16.8 86 85 A A H X S+ 0 0 0 -4,-0.6 4,-2.5 -3,-0.5 -2,-0.2 0.840 105.6 53.3 -72.5 -33.0 33.1 16.0 16.1 87 86 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.909 109.9 49.2 -63.4 -43.3 34.1 16.0 12.5 88 87 A E H X S+ 0 0 43 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.950 110.7 52.0 -55.8 -47.9 32.3 12.6 12.1 89 88 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.935 109.8 46.7 -55.9 -50.6 29.3 14.2 13.8 90 89 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.946 114.9 46.4 -63.5 -43.7 29.2 17.2 11.5 91 90 A R H X S+ 0 0 66 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.942 117.2 43.8 -56.9 -50.3 29.6 15.1 8.4 92 91 A D H X S+ 0 0 10 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.823 111.7 53.9 -67.5 -35.2 26.9 12.6 9.6 93 92 A Y H X S+ 0 0 0 -4,-2.8 4,-1.2 -5,-0.3 -1,-0.2 0.915 109.5 47.0 -66.7 -44.3 24.6 15.4 10.8 94 93 A L H ><>S+ 0 0 3 -4,-2.5 5,-2.6 -5,-0.2 3,-0.6 0.948 113.0 50.3 -62.3 -43.8 24.6 17.0 7.4 95 94 A K H ><5S+ 0 0 111 -4,-2.3 3,-1.8 1,-0.3 -2,-0.2 0.900 105.9 55.8 -60.9 -41.5 24.0 13.6 5.7 96 95 A A H 3<5S+ 0 0 47 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.813 108.5 48.3 -61.5 -30.5 21.1 12.9 8.0 97 96 A N T <<5S- 0 0 28 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.335 119.2-111.0 -89.4 2.5 19.5 16.2 6.9 98 97 A G T < 5 + 0 0 70 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.721 70.0 144.6 78.7 20.3 20.1 15.4 3.2 99 98 A V < - 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