==== 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 30-SEP-03 1UMG . COMPND 2 MOLECULE: 385AA LONG CONSERVED HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII STR. 7; . AUTHOR H.NISHIMASU,S.FUSHINOBU,H.SHOUN,T.WAKAGI . 359 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 24.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 1 0.3 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 . 27 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 0 1 1 1 1 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 0 2 1 2 1 4 1 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 2 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 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 3 A K 0 0 151 0, 0.0 2,-0.4 0, 0.0 116,-0.2 0.000 360.0 360.0 360.0 110.1 25.4 29.4 33.0 2 4 A T E -A 116 0A 9 114,-3.1 114,-3.4 59,-0.1 2,-0.5 -0.935 360.0-152.1-120.1 140.2 27.2 32.7 32.7 3 5 A T E -AB 115 59A 0 56,-3.2 56,-2.0 -2,-0.4 2,-0.6 -0.939 2.3-158.5-113.3 129.6 26.0 35.9 31.1 4 6 A I E -AB 114 58A 0 110,-2.3 110,-1.9 -2,-0.5 2,-0.5 -0.935 15.8-172.4-104.9 118.0 28.4 38.5 29.7 5 7 A S E -AB 113 57A 0 52,-3.8 52,-3.2 -2,-0.6 2,-0.7 -0.954 13.2-173.9-119.9 120.5 26.7 41.9 29.5 6 8 A V E +AB 112 56A 0 106,-2.9 106,-2.1 -2,-0.5 2,-0.5 -0.938 14.3 173.4-110.9 110.0 28.2 44.9 27.7 7 9 A I E +AB 111 55A 1 48,-2.6 48,-2.1 -2,-0.7 2,-0.3 -0.978 3.6 175.6-121.6 125.7 26.1 48.0 28.3 8 10 A K E +AB 110 54A 2 102,-2.1 102,-2.8 -2,-0.5 2,-0.3 -0.903 6.8 168.5-130.0 158.4 27.2 51.4 27.2 9 11 A A E - B 0 53A 0 44,-1.7 44,-2.1 -2,-0.3 2,-0.7 -0.973 36.3-115.4-163.6 151.8 25.9 54.9 27.1 10 12 A D + 0 0 0 -2,-0.3 84,-3.2 42,-0.2 85,-0.4 -0.849 35.5 165.6 -93.4 116.5 27.0 58.5 26.5 11 13 A I - 0 0 0 -2,-0.7 81,-1.9 1,-0.5 72,-0.1 0.143 63.8 -56.5-117.0 17.6 26.5 60.4 29.7 12 14 A G - 0 0 0 39,-0.4 -1,-0.5 79,-0.3 9,-0.3 -0.319 53.5-143.5 122.0 153.7 28.6 63.5 28.8 13 15 A S B > -D 89 0B 0 76,-2.5 76,-2.2 7,-0.2 3,-0.6 -0.985 23.1 -93.8-151.9 159.7 32.1 64.2 27.6 14 16 A L B 3>>S-E 19 0C 82 5,-2.3 5,-0.6 -2,-0.3 4,-0.5 -0.574 97.9 -10.0 -80.5 132.7 35.0 66.8 27.9 15 17 A A T 345S- 0 0 97 -2,-0.3 2,-0.3 3,-0.1 -1,-0.2 0.612 131.0 -38.8 59.4 18.2 35.4 69.6 25.3 16 18 A G T <45S- 0 0 17 -3,-0.6 2,-0.8 3,-0.1 3,-0.4 -0.934 109.9 -29.5 133.3-157.9 32.8 68.1 23.0 17 19 A H T 45S+ 0 0 25 -2,-0.3 34,-0.4 1,-0.2 262,-0.2 -0.238 107.6 108.9 -89.0 46.3 31.8 64.5 22.0 18 20 A H T <5S- 0 0 51 -2,-0.8 261,-1.8 -4,-0.5 2,-0.3 0.925 74.7 -14.0 -90.7 -59.3 35.5 63.8 22.5 19 21 A I B < -E 14 0C 36 -5,-0.6 -5,-2.3 -3,-0.4 2,-0.3 -0.998 59.5-105.8-155.4 150.6 36.2 61.7 25.6 20 22 A V - 0 0 2 30,-1.3 -7,-0.2 -2,-0.3 32,-0.1 -0.609 41.5-121.9 -76.5 132.8 34.7 60.3 28.8 21 23 A H >> - 0 0 43 -2,-0.3 3,-1.5 -9,-0.3 4,-1.1 -0.607 14.1-128.4 -78.3 133.1 36.0 62.2 31.9 22 24 A P H 3> S+ 0 0 84 0, 0.0 4,-2.0 0, 0.0 3,-0.3 0.821 105.7 62.3 -48.0 -39.3 37.7 59.9 34.5 23 25 A D H 3> S+ 0 0 81 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.841 100.6 52.8 -60.1 -34.2 35.6 61.3 37.3 24 26 A T H <> S+ 0 0 0 -3,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.848 108.6 49.2 -71.5 -33.0 32.4 60.0 35.6 25 27 A M H X S+ 0 0 34 -4,-1.1 4,-2.1 -3,-0.3 -2,-0.2 0.848 106.5 57.2 -73.0 -31.8 33.8 56.5 35.4 26 28 A A H X S+ 0 0 46 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.898 106.5 49.3 -63.9 -39.2 34.8 56.7 39.0 27 29 A A H X S+ 0 0 12 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.911 110.6 49.9 -65.6 -41.5 31.1 57.4 39.9 28 30 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.848 107.1 56.5 -65.2 -33.7 30.0 54.4 37.7 29 31 A N H X S+ 0 0 69 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.896 100.8 55.5 -66.0 -41.5 32.6 52.2 39.5 30 32 A K H X S+ 0 0 150 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.910 109.4 48.8 -57.7 -41.6 31.2 52.9 43.0 31 33 A V H X S+ 0 0 30 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.913 114.9 41.9 -65.4 -45.4 27.8 51.7 41.7 32 34 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.820 109.7 58.8 -72.8 -29.8 29.1 48.5 40.2 33 35 A A H X S+ 0 0 37 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.902 109.7 44.8 -63.7 -38.8 31.4 47.9 43.1 34 36 A S H X S+ 0 0 46 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.919 110.9 52.4 -69.8 -44.4 28.2 47.9 45.3 35 37 A A H <>S+ 0 0 3 -4,-2.1 5,-2.3 1,-0.2 6,-1.0 0.870 111.0 48.3 -59.3 -37.8 26.3 45.7 42.9 36 38 A K H ><5S+ 0 0 90 -4,-2.4 3,-1.0 4,-0.2 -1,-0.2 0.907 111.0 49.9 -68.7 -42.4 29.2 43.2 43.0 37 39 A E H 3<5S+ 0 0 170 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.870 110.3 51.1 -62.9 -37.6 29.3 43.3 46.8 38 40 A Q T 3<5S- 0 0 131 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.521 116.5-116.8 -77.9 -7.0 25.5 42.7 46.8 39 41 A G T < 5S+ 0 0 52 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.563 81.2 123.2 83.1 7.2 25.9 39.7 44.5 40 42 A I S S-C 52 0A 0 3,-1.5 3,-1.9 -2,-0.3 229,-0.2 -0.915 76.3 -40.5-146.3 115.3 35.7 54.6 23.8 50 52 A G T 3 S- 0 0 0 227,-2.5 -30,-1.3 -2,-0.3 -32,-0.2 -0.403 126.2 -21.5 62.3-135.2 35.3 58.2 22.6 51 53 A D T 3 S+ 0 0 3 -34,-0.4 2,-0.6 -32,-0.3 -39,-0.4 0.117 114.3 105.3 -94.1 22.4 32.4 59.7 24.6 52 54 A D E < - C 0 49A 0 -3,-1.9 -3,-1.5 -42,-0.2 2,-0.4 -0.903 61.6-145.8-112.3 117.2 30.8 56.3 25.4 53 55 A L E -BC 9 48A 0 -44,-2.1 -44,-1.7 -2,-0.6 2,-0.5 -0.649 19.6-148.8 -80.0 125.4 31.1 54.9 28.9 54 56 A Q E -BC 8 47A 0 -7,-3.2 -7,-1.7 -2,-0.4 2,-0.6 -0.841 14.5-169.6-104.0 129.7 31.4 51.1 28.8 55 57 A L E -BC 7 46A 0 -48,-2.1 -48,-2.6 -2,-0.5 2,-0.7 -0.926 5.4-173.4-117.9 104.2 30.1 48.7 31.5 56 58 A I E +BC 6 45A 0 -11,-2.8 -11,-2.3 -2,-0.6 2,-0.4 -0.885 17.1 173.0 -98.8 116.1 31.4 45.1 31.0 57 59 A M E -BC 5 44A 0 -52,-3.2 -52,-3.8 -2,-0.7 2,-0.4 -0.960 24.0-160.2-130.7 144.7 29.7 42.9 33.5 58 60 A T E +BC 4 43A 0 -15,-2.3 -16,-2.5 -2,-0.4 -15,-1.6 -0.953 31.3 136.8-119.2 140.3 29.5 39.1 34.1 59 61 A H E -B 3 0A 0 -56,-2.0 -56,-3.2 -2,-0.4 3,-0.1 -0.902 56.2-111.9-162.6-173.7 26.6 37.6 36.1 60 62 A T S S+ 0 0 87 -20,-0.4 -19,-0.1 -2,-0.3 -58,-0.1 -0.072 83.7 97.8-126.6 33.3 24.2 34.7 36.3 61 63 A R S S- 0 0 86 1,-0.2 7,-0.1 -58,-0.1 -1,-0.1 0.235 80.0-129.3-106.7 12.7 20.9 36.6 35.7 62 64 A G > - 0 0 6 -3,-0.1 3,-0.5 -61,-0.1 -1,-0.2 0.078 42.6 -35.5 68.3 179.5 20.6 35.9 32.0 63 65 A E T 3 S+ 0 0 69 1,-0.2 -58,-0.1 50,-0.1 -60,-0.0 -0.389 121.5 13.8 -76.2 151.3 19.9 38.3 29.1 64 66 A L T 3 S+ 0 0 140 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.899 82.4 175.3 50.2 48.4 17.7 41.3 29.3 65 67 A D <> - 0 0 31 -3,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.739 29.7-144.8 -87.9 129.9 17.6 41.2 33.1 66 68 A T H > S+ 0 0 111 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.886 97.6 47.1 -58.7 -44.5 15.8 44.0 34.8 67 69 A K H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.885 112.8 48.0 -68.7 -39.8 18.1 44.3 37.8 68 70 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.946 116.1 44.4 -65.6 -46.3 21.3 44.1 35.8 69 71 A H H X S+ 0 0 50 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.872 112.9 51.1 -65.5 -36.6 20.0 46.8 33.4 70 72 A E H X S+ 0 0 115 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.865 108.9 52.0 -68.1 -35.4 18.7 48.9 36.3 71 73 A T H X S+ 0 0 11 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.926 110.6 47.9 -64.6 -44.2 22.1 48.6 37.9 72 74 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.929 110.4 52.2 -61.7 -45.5 23.7 49.8 34.6 73 75 A W H X S+ 0 0 97 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.906 109.5 48.3 -58.8 -42.9 21.2 52.7 34.5 74 76 A N H X S+ 0 0 69 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.872 109.1 54.1 -66.0 -35.5 22.0 53.8 38.0 75 77 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.933 111.9 44.2 -62.6 -45.4 25.7 53.6 37.2 76 78 A F H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.871 111.0 54.8 -66.4 -38.5 25.1 55.9 34.2 77 79 A K H X S+ 0 0 75 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.924 109.7 45.9 -61.5 -45.2 22.9 58.2 36.3 78 80 A E H X S+ 0 0 75 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.869 114.1 49.2 -65.9 -35.8 25.6 58.7 38.9 79 81 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.911 110.0 51.5 -68.9 -40.8 28.2 59.3 36.1 80 82 A A H X S+ 0 0 12 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.844 105.6 55.4 -64.3 -35.2 25.8 61.8 34.5 81 83 A K H X S+ 0 0 106 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.896 109.9 45.6 -65.6 -39.3 25.4 63.7 37.7 82 84 A V H X S+ 0 0 37 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.915 111.3 53.1 -68.3 -41.8 29.2 64.1 38.0 83 85 A A H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 4,-0.3 0.909 110.3 48.3 -58.3 -42.1 29.3 65.1 34.3 84 86 A K H ><5S+ 0 0 146 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.925 110.8 49.1 -65.1 -45.4 26.6 67.7 35.1 85 87 A D H 3<5S+ 0 0 136 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.794 112.2 49.6 -64.5 -28.9 28.5 69.0 38.1 86 88 A L T 3<5S- 0 0 75 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.457 111.9-124.8 -87.4 -3.1 31.7 69.2 36.0 87 89 A G T < 5 + 0 0 62 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.770 47.5 173.4 65.4 26.5 29.7 71.1 33.3 88 90 A L > < - 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0 0 50 123,-0.1 3,-0.2 -2,-0.1 2,-0.2 -0.512 66.8-172.3 -68.0 115.7 19.9 62.3 19.0 105 107 A R + 0 0 85 -2,-0.5 -11,-0.2 -8,-0.3 -8,-0.2 -0.615 47.1 24.8-110.4 166.6 19.4 62.2 22.8 106 108 A G + 0 0 30 -13,-2.6 -9,-0.2 -10,-0.6 -12,-0.2 0.618 68.2 128.5 60.5 21.1 17.6 60.1 25.4 107 109 A L - 0 0 39 -3,-0.2 -12,-0.1 1,-0.2 121,-0.1 0.688 65.7-125.6 -78.9 -16.7 17.4 56.8 23.5 108 110 A G - 0 0 10 -14,-2.1 -1,-0.2 -98,-0.1 -98,-0.1 -0.260 40.7 -33.7 98.9 171.5 18.9 54.8 26.3 109 111 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -100,-0.2 -0.293 54.7-125.9 -68.0 150.0 21.9 52.5 26.8 110 112 A G E -A 8 0A 3 -102,-2.8 -102,-2.1 120,-0.1 2,-0.4 -0.718 30.6-158.5 -92.6 147.8 23.1 50.2 24.0 111 113 A V E +A 7 0A 24 -2,-0.3 2,-0.4 -104,-0.2 106,-0.4 -0.987 26.6 177.9-139.8 141.7 23.4 46.5 24.9 112 114 A A E +A 6 0A 1 -106,-2.1 -106,-2.9 -2,-0.4 2,-0.4 -0.981 25.6 167.2-133.8 116.3 25.2 43.4 23.7 113 115 A E E -A 5 0A 8 -2,-0.4 2,-0.4 -108,-0.2 -108,-0.2 -0.993 17.1-179.1-138.0 144.1 24.5 40.3 25.9 114 116 A M E -A 4 0A 0 -110,-1.9 -110,-2.3 -2,-0.4 2,-0.6 -0.955 13.4-156.2-144.8 121.1 25.1 36.6 25.7 115 117 A E E +A 3 0A 75 -2,-0.4 2,-0.3 -112,-0.2 -112,-0.3 -0.865 34.5 159.9 -94.9 124.1 24.1 33.9 28.2 116 118 A I E -A 2 0A 5 -114,-3.4 -114,-3.1 -2,-0.6 2,-0.7 -0.841 48.2-111.2-138.9 174.0 26.3 30.9 27.8 117 119 A E - 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0 0 143 -4,-1.3 2,-0.4 -7,-0.1 -7,-0.0 -0.651 66.2-155.2 -77.1 125.5 11.7 75.5 -8.4 359 363 A K 0 0 170 -2,-0.4 -2,-0.1 1,-0.2 -3,-0.0 -0.847 360.0 360.0-109.8 141.5 10.3 75.7 -11.9 360 364 A K 0 0 278 -2,-0.4 -1,-0.2 0, 0.0 -2,-0.0 0.969 360.0 360.0 -80.1 360.0 8.6 73.1 -14.0