==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 15-APR-07 2YVT . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN AQ_1956; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR R.ISHII,Y.BESSHO,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEO . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12328.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 15 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 23.7 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+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 1 0 0 2 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 1 2 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 0 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A X 0 0 177 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 70.2 39.7 54.2 21.6 2 5 A P - 0 0 59 0, 0.0 2,-0.4 0, 0.0 243,-0.1 -0.316 360.0-156.9 -70.6 153.7 39.4 50.4 22.2 3 6 A R - 0 0 34 2,-0.0 243,-2.8 28,-0.0 2,-0.4 -0.884 22.0-166.3-128.6 94.8 37.0 48.4 20.0 4 7 A K E -A 245 0A 60 -2,-0.4 28,-1.9 241,-0.2 27,-1.9 -0.701 9.6-168.6-100.0 135.2 36.3 45.3 22.1 5 8 A V E -Ab 244 32A 2 239,-3.0 239,-3.1 -2,-0.4 2,-0.5 -0.978 8.4-163.5-124.4 126.6 34.6 42.1 20.9 6 9 A L E -Ab 243 33A 0 26,-2.5 28,-3.0 -2,-0.4 2,-0.4 -0.963 21.0-173.1-104.1 123.5 33.3 39.3 23.1 7 10 A A E +Ab 242 34A 0 235,-2.6 235,-2.7 -2,-0.5 2,-0.3 -0.952 12.5 174.0-122.9 138.6 32.8 36.2 20.9 8 11 A I E - b 0 35A 0 26,-2.4 28,-2.7 -2,-0.4 2,-0.3 -0.896 9.8-161.0-128.0 163.9 31.2 32.8 21.6 9 12 A K E +cb 235 36A 0 225,-0.6 227,-1.8 231,-0.3 29,-0.2 -0.980 64.7 26.4-143.1 156.4 30.4 29.8 19.5 10 13 A N + 0 0 2 27,-1.1 227,-0.4 26,-0.8 -1,-0.2 0.957 55.4 175.4 54.8 58.1 28.2 26.7 19.7 11 14 A F > - 0 0 0 25,-0.7 3,-1.8 27,-0.3 28,-0.2 0.897 12.7-175.9 -53.4 -43.7 25.6 28.2 22.1 12 15 A K T 3 - 0 0 61 26,-2.9 28,-0.2 1,-0.3 27,-0.2 0.839 67.8 -58.3 46.9 47.2 23.7 24.9 21.7 13 16 A E T 3 S+ 0 0 38 26,-2.0 2,-1.7 1,-0.2 3,-0.3 0.734 87.8 153.6 61.0 27.5 20.7 26.0 23.8 14 17 A R X + 0 0 72 -3,-1.8 3,-1.7 1,-0.2 4,-0.4 -0.392 3.5 150.4 -87.2 61.6 22.9 26.7 26.9 15 18 A F G > + 0 0 27 -2,-1.7 3,-1.5 1,-0.3 -1,-0.2 0.818 65.8 69.7 -60.5 -29.4 20.6 29.3 28.5 16 19 A D G 3 S+ 0 0 98 -3,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.710 97.2 52.4 -60.6 -23.6 21.9 28.1 31.9 17 20 A L G X> S+ 0 0 24 -3,-1.7 4,-1.7 1,-0.2 3,-0.6 0.532 83.1 88.9 -90.9 -7.0 25.3 29.6 31.0 18 21 A L H <> S+ 0 0 9 -3,-1.5 4,-3.1 -4,-0.4 5,-0.2 0.856 78.9 61.4 -64.3 -36.5 23.9 33.1 30.1 19 22 A P H 3> S+ 0 0 94 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.892 106.8 47.0 -54.7 -36.9 24.2 34.4 33.7 20 23 A K H <> S+ 0 0 117 -3,-0.6 4,-1.9 -4,-0.2 -2,-0.2 0.897 110.9 51.1 -71.4 -37.4 27.9 33.8 33.5 21 24 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.924 107.7 53.6 -62.9 -42.1 28.1 35.5 30.1 22 25 A K H X S+ 0 0 108 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.892 106.6 53.3 -55.0 -42.8 26.2 38.5 31.6 23 26 A G H X S+ 0 0 39 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.904 108.4 48.3 -60.8 -43.8 28.9 38.7 34.3 24 27 A V H X S+ 0 0 10 -4,-1.9 4,-3.1 2,-0.2 5,-0.4 0.906 109.8 53.0 -64.1 -42.0 31.7 38.8 31.8 25 28 A I H X S+ 0 0 18 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.917 110.9 47.0 -59.3 -43.5 29.9 41.5 29.9 26 29 A A H < S+ 0 0 65 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.906 118.0 41.8 -63.4 -43.8 29.6 43.6 33.1 27 30 A E H < S+ 0 0 137 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.908 126.7 29.2 -70.2 -44.6 33.2 43.1 34.0 28 31 A K H < S- 0 0 55 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.581 86.7-146.4-103.6 -14.0 34.8 43.5 30.5 29 32 A Q < - 0 0 135 -4,-2.1 -25,-0.2 -5,-0.4 -3,-0.1 0.901 19.1-160.5 51.9 58.5 32.4 45.9 28.8 30 33 A P - 0 0 12 0, 0.0 -25,-0.2 0, 0.0 58,-0.2 -0.352 18.5-143.2 -66.5 151.7 32.6 44.7 25.2 31 34 A D S S+ 0 0 44 -27,-1.9 57,-0.6 1,-0.2 2,-0.3 0.794 86.5 20.9 -80.9 -33.9 31.5 47.0 22.4 32 35 A I E -bd 5 88A 6 -28,-1.9 -26,-2.5 55,-0.1 2,-0.5 -0.988 65.4-149.0-135.5 147.5 30.1 44.1 20.5 33 36 A L E -bd 6 89A 0 55,-2.6 57,-2.6 -2,-0.3 2,-0.5 -0.962 14.0-162.0-108.4 129.6 29.0 40.6 21.2 34 37 A V E -bd 7 90A 0 -28,-3.0 -26,-2.4 -2,-0.5 2,-0.6 -0.969 4.6-171.3-113.6 123.2 29.4 38.0 18.5 35 38 A V E -bd 8 91A 0 55,-2.8 57,-2.2 -2,-0.5 2,-0.4 -0.955 4.8-169.4-114.2 110.8 27.4 34.7 18.8 36 39 A V E -bd 9 92A 0 -28,-2.7 -26,-0.8 -2,-0.6 -25,-0.7 -0.795 31.1 -84.0 -93.7 141.9 28.4 32.1 16.2 37 40 A G S S+ 0 0 0 55,-2.3 -27,-1.1 -2,-0.4 180,-0.6 -0.030 85.1 100.0 -62.3 176.8 26.2 29.0 15.9 38 41 A N + 0 0 3 2,-0.2 -26,-2.9 -29,-0.2 -27,-0.3 0.315 46.3 161.1 -72.5 134.1 25.2 26.4 16.5 39 42 A I + 0 0 1 -28,-0.2 -26,-2.0 -29,-0.2 2,-0.2 0.892 66.3 42.7 -79.3 -48.8 22.4 28.2 18.3 40 43 A L - 0 0 0 -28,-0.2 -2,-0.2 1,-0.2 56,-0.2 -0.536 64.0-147.8 -94.3 159.2 20.2 25.0 18.3 41 44 A K + 0 0 105 -2,-0.2 -1,-0.2 -29,-0.1 -2,-0.0 0.901 33.4 166.1 -79.9 -63.2 20.8 21.4 18.9 42 45 A N > + 0 0 1 1,-0.1 4,-1.4 3,-0.1 3,-0.2 0.849 5.4 162.4 56.8 43.4 18.2 20.3 16.3 43 46 A E H > + 0 0 109 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.846 62.4 58.8 -67.3 -38.0 19.4 16.7 16.2 44 47 A A H > S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 105.6 48.8 -62.4 -42.4 16.3 15.1 14.6 45 48 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.932 113.1 47.0 -63.8 -44.5 16.4 17.3 11.5 46 49 A E H X S+ 0 0 49 -4,-1.4 4,-2.6 1,-0.2 5,-0.2 0.925 111.9 50.4 -64.1 -44.0 20.1 16.6 10.9 47 50 A K H X S+ 0 0 132 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.899 109.9 49.9 -62.7 -41.4 19.8 12.9 11.5 48 51 A E H X S+ 0 0 25 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.932 112.1 48.5 -62.9 -44.8 16.9 12.6 9.0 49 52 A Y H X S+ 0 0 6 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.939 115.7 42.8 -57.8 -49.5 18.8 14.5 6.4 50 53 A E H X S+ 0 0 58 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.925 115.6 48.3 -67.3 -44.4 22.0 12.4 6.8 51 54 A R H X S+ 0 0 170 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.911 111.7 50.6 -60.4 -44.2 20.0 9.1 7.0 52 55 A A H <>S+ 0 0 0 -4,-2.7 5,-2.7 -5,-0.3 4,-0.4 0.916 112.4 45.9 -62.8 -43.8 18.0 10.0 3.9 53 56 A H H ><5S+ 0 0 93 -4,-2.2 3,-0.8 3,-0.2 -2,-0.2 0.908 112.4 49.8 -69.4 -39.2 21.1 10.8 1.9 54 57 A L H 3<5S+ 0 0 140 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.867 116.0 43.5 -62.2 -37.0 23.0 7.7 3.0 55 58 A A T 3<5S- 0 0 63 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.431 110.6-125.3 -86.5 -2.2 20.0 5.6 2.0 56 59 A R T < 5 + 0 0 236 -3,-0.8 2,-0.3 -4,-0.4 -3,-0.2 0.940 66.0 130.3 52.2 52.8 19.5 7.6 -1.2 57 60 A R < - 0 0 103 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.895 68.9 -84.8-129.3 162.9 15.8 8.4 -0.4 58 61 A E - 0 0 161 -2,-0.3 -5,-0.0 -3,-0.1 3,-0.0 -0.515 52.3-109.8 -69.9 120.0 13.8 11.6 -0.3 59 62 A P - 0 0 18 0, 0.0 2,-0.9 0, 0.0 -10,-0.1 -0.236 32.6-116.4 -52.1 136.5 14.3 13.4 3.0 60 63 A N > - 0 0 69 1,-0.2 3,-1.7 -12,-0.1 4,-0.5 -0.676 23.8-167.0 -84.8 103.6 11.1 13.3 5.1 61 64 A R T 3> S+ 0 0 108 -2,-0.9 4,-2.3 1,-0.3 3,-0.2 0.625 80.2 79.0 -67.6 -12.6 9.8 16.8 5.5 62 65 A K H 3> S+ 0 0 144 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.851 87.0 60.7 -60.0 -31.9 7.4 15.6 8.2 63 66 A V H <> S+ 0 0 14 -3,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.892 105.9 46.0 -62.7 -39.5 10.5 15.6 10.5 64 67 A I H >> S+ 0 0 1 -4,-0.5 3,-1.2 -3,-0.2 4,-0.9 0.972 113.4 48.6 -63.3 -52.8 10.8 19.4 9.8 65 68 A H H >< S+ 0 0 104 -4,-2.3 3,-0.8 1,-0.3 4,-0.4 0.887 109.8 50.8 -59.7 -40.2 7.1 20.0 10.4 66 69 A E H 3< S+ 0 0 139 -4,-2.7 -1,-0.3 1,-0.2 4,-0.2 0.661 114.9 44.3 -74.6 -14.0 6.9 18.0 13.7 67 70 A N H S+ 0 0 143 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.938 112.2 44.5 -59.3 -47.1 7.2 24.3 17.3 70 73 A Y H > S+ 0 0 66 -4,-0.2 4,-2.5 2,-0.2 5,-0.3 0.912 114.0 50.0 -59.6 -46.5 10.4 23.5 19.2 71 74 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.943 114.3 44.0 -61.8 -47.9 12.7 25.3 16.7 72 75 A I H X S+ 0 0 66 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.927 114.9 47.5 -63.3 -47.8 10.6 28.5 16.8 73 76 A E H X S+ 0 0 116 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.906 114.9 46.7 -61.0 -42.2 10.1 28.5 20.6 74 77 A T H X S+ 0 0 19 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.914 113.2 47.6 -72.0 -41.2 13.8 27.9 21.2 75 78 A L H X S+ 0 0 1 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.916 111.2 51.5 -64.3 -41.7 15.0 30.5 18.6 76 79 A D H X S+ 0 0 60 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.919 110.7 49.1 -60.6 -41.6 12.6 33.1 20.1 77 80 A K H X S+ 0 0 83 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.896 109.7 52.6 -64.8 -39.9 14.0 32.4 23.6 78 81 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.4 0.945 110.2 46.4 -60.2 -50.0 17.5 32.8 22.2 79 82 A F H X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.919 114.8 48.1 -64.1 -38.2 16.8 36.2 20.7 80 83 A R H X S+ 0 0 100 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.960 115.7 42.2 -62.1 -51.3 15.1 37.4 23.9 81 84 A E H < S+ 0 0 46 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.869 119.2 43.3 -72.8 -35.0 17.8 36.2 26.3 82 85 A I H >< S+ 0 0 0 -4,-2.7 3,-1.5 -5,-0.3 5,-0.4 0.927 113.3 53.5 -68.6 -45.0 20.6 37.4 24.1 83 86 A G H >< S+ 0 0 4 -4,-2.6 3,-2.1 -5,-0.4 -2,-0.2 0.898 101.3 59.8 -54.6 -43.6 18.8 40.6 23.4 84 87 A E T 3< S+ 0 0 119 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.611 86.0 75.4 -64.8 -13.7 18.3 41.3 27.1 85 88 A L T < S- 0 0 19 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.728 96.5-143.6 -69.0 -22.4 22.1 41.3 27.6 86 89 A G < + 0 0 59 -3,-2.1 2,-0.3 -4,-0.4 -2,-0.1 0.507 51.8 126.5 80.3 8.6 21.9 44.7 26.0 87 90 A V S S- 0 0 15 -5,-0.4 2,-0.3 1,-0.1 -1,-0.2 -0.677 74.4 -95.5 -95.6 148.7 25.0 44.8 23.8 88 91 A K E -d 32 0A 67 -57,-0.6 -55,-2.6 -2,-0.3 2,-0.4 -0.536 59.4-166.5 -56.1 125.7 25.3 45.4 20.1 89 92 A T E -de 33 117A 0 27,-3.2 29,-2.5 -2,-0.3 2,-0.4 -0.972 26.8-162.4-133.8 134.1 25.3 41.9 18.9 90 93 A F E -de 34 118A 1 -57,-2.6 -55,-2.8 -2,-0.4 2,-0.4 -0.966 14.2-166.1-112.0 133.7 26.0 40.0 15.6 91 94 A V E -de 35 119A 0 27,-2.0 29,-2.6 -2,-0.4 -55,-0.2 -0.972 6.2-172.3-121.9 132.5 24.6 36.5 15.2 92 95 A V E -d 36 0A 0 -57,-2.2 -55,-2.3 -2,-0.4 29,-0.1 -0.993 26.4-123.0-126.8 122.8 25.7 34.0 12.5 93 96 A P - 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