REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 20-AUG-04 1WOL COMPND 122AA LONG CONSERVED HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: ST0689; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; SOURCE 3 ORGANISM_TAXID: 273063; SOURCE 4 STRAIN: STR. 7; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: B834, BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET23A AUTHOR T.ARAKAWA,J.AKUTSU,M.YOHDA HET TBU A 123 5 HET TBU A 124 5 SSBOND 1 CYS A 31 CYS A 106 1555 1555 2.62 SSBOND 2 CYS A 72 CYS A 109 1555 1555 2.07 SITE 1 AC1 4 LEU A 33 HOH A 138 HOH A 147 HOH A 181 >MET.A 1 29.85 32.81 -16.51 32.87 33.54 -19.19 31.36 33.17 -17.85 2 0 28.57 -999 ? C3 TBU A 123 >LYS.A 2 26.36 31.67 -17.63 23.31 32.62 -12.20 24.84 32.15 -14.92 2 0 17.56 -999 ? C3 TBU A 123 >ARG~A 3 25.52 28.78 -23.28 26.24 25.82 -23.18 25.88 27.30 -23.23 2 0 29.52 -999 ? C3 TBU A 123 >VAL~A 4 20.78 32.43 -21.13 19.54 33.66 -22.55 20.16 33.05 -21.84 3 0 25.60 -999 ? C2 TBU A 124 >GLU~A 5 21.56 27.27 -22.10 21.95 25.85 -23.81 21.75 26.56 -22.96 2 0 28.87 -999 ? C3 TBU A 123 >ASP~A 6 22.98 28.77 -17.33 24.27 27.52 -18.37 23.63 28.15 -17.85 2 0 24.08 -999 ? C3 TBU A 123 >TRP~A 7 21.55 33.91 -17.39 22.12 35.30 -13.77 21.84 34.60 -15.58 3 0 20.30 -999 ? C3 TBU A 123 >ILE~A 8 15.81 29.59 -18.77 14.75 30.53 -18.67 15.28 30.06 -18.72 3 0 21.37 -999 ? C2 TBU A 124 >LYS~A 9 17.33 26.16 -15.98 21.95 23.00 -18.60 19.64 24.58 -17.29 2 0 24.64 -999 ? O TBU A 123 >GLN~A 10 20.52 28.59 -12.34 21.53 30.34 -11.62 21.03 29.47 -11.98 2 0 16.45 -999 ? C3 TBU A 123 >ALA~A 11 14.75 29.39 -12.60 14.24 30.50 -13.66 14.49 29.95 -13.13 2 0 17.21 -999 ? C2 TBU A 123 >GLU~A 12 12.76 26.33 -15.96 12.45 25.61 -17.67 12.60 25.97 -16.82 2 0 21.51 -999 ? C3 TBU A 124 >ARG~A 13 16.25 21.66 -10.11 16.89 18.82 -9.86 16.57 20.24 -9.99 2 0 18.03 -999 ? O TBU A 123 >ASP~A 14 14.30 28.59 -8.36 16.31 28.94 -8.10 15.30 28.77 -8.23 2 0 12.09 -999 ? C2 TBU A 123 >LEU~A 15 9.60 27.03 -10.62 7.45 27.22 -11.04 8.52 27.13 -10.83 3 0 15.01 -999 ? C3 TBU A 124 >GLU~A 16 11.01 20.59 -9.11 12.06 19.20 -10.35 11.53 19.90 -9.73 2 0 18.24 -999 ? C2 TBU A 123 >GLU~A 17 14.37 23.05 -5.71 16.34 23.92 -5.75 15.35 23.49 -5.73 2 0 11.71 -999 ? O TBU A 123 >ALA~A 18 9.31 26.08 -4.39 9.00 27.40 -5.18 9.15 26.74 -4.79 2 0 10.51 -999 ? C2 TBU A 123 >ARG~A 19 5.17 23.13 -8.64 3.47 24.82 -10.64 4.32 23.97 -9.64 2 0 14.73 -999 ? C3 TBU A 124 >TYR~A 20 10.20 19.28 -2.80 11.37 17.27 -1.25 10.79 18.28 -2.02 3 0 14.09 -999 ? C2 TBU A 123 >ALA~A 21 8.83 23.26 -0.25 9.53 24.67 -0.25 9.18 23.97 -0.25 2 0 8.40 -999 ? C2 TBU A 123 >LYS~A 22 5.06 24.13 -0.23 -0.49 25.01 -2.91 2.28 24.57 -1.57 2 0 13.47 -999 ? C3 TBU A 124 >SER~A 23 4.30 20.37 -0.22 4.24 18.10 -1.11 4.27 19.23 -0.66 2 0 16.58 -999 ? C2 TBU A 123 >GLY~A 24 6.35 20.00 2.88 5.87 20.63 2.80 6.11 20.32 2.84 1 0 13.16 -999 ? C2 TBU A 123 >GLY.A 25 4.62 22.94 4.64 5.34 23.01 4.26 4.98 22.97 4.45 1 0 12.13 -999 ? C2 TBU A 123 >TYR~A 26 9.32 23.32 4.75 9.81 20.97 6.14 9.57 22.14 5.45 3 0 9.87 -999 ? C2 TBU A 123 >TYR~A 27 3.55 27.57 3.74 1.78 25.39 4.13 2.66 26.48 3.93 3 0 11.90 -999 ? C2 TBU A 123 >GLU~A 28 10.48 30.51 5.54 10.29 28.46 5.95 10.38 29.49 5.75 2 0 4.83 -999 ? C2 TBU A 123 >LEU~A 29 11.34 27.29 2.21 13.18 26.36 1.46 12.26 26.83 1.83 3 0 4.64 -999 ? C2 TBU A 123 >ALA~A 30 8.49 28.38 -1.10 7.07 27.95 -0.93 7.78 28.17 -1.02 2 0 8.52 -999 ? C2 TBU A 123 >CSS~A 31 8.29 32.25 -1.14 5.90 33.04 0.00 7.09 32.65 -0.57 2 0 8.84 -999 ? C2 TBU A 123 >PHE~A 32 14.41 32.27 -0.33 17.10 32.53 -1.01 15.76 32.40 -0.67 3 0 4.31 -999 ? C3 TBU A 123 >LEU~A 33 12.29 28.64 -3.77 13.69 27.27 -3.02 12.99 27.96 -3.39 3 0 -7.57 -999 ? C2 TBU A 123s >SER~A 34 9.75 31.87 -5.97 7.67 30.93 -5.24 8.71 31.40 -5.61 2 0 10.65 -999 ? C2 TBU A 123 >GLN~A 35 12.73 37.21 -5.09 14.24 38.08 -4.10 13.49 37.64 -4.59 2 0 9.78 -999 ? C3 TBU A 123 >GLN~A 36 16.06 32.58 -4.80 17.86 33.69 -5.16 16.96 33.14 -4.98 2 0 9.16 -999 ? C3 TBU A 123 >CYH~A 37 12.90 31.84 -9.75 10.80 30.78 -11.29 11.85 31.31 -10.52 2 0 14.41 -999 ? C3 TBU A 124 >ALA~A 38 11.70 35.25 -10.98 10.66 36.11 -10.23 11.18 35.68 -10.60 2 0 11.28 -999 ? C2 TBU A 124 >GLU~A 39 17.14 37.97 -9.32 18.58 37.93 -7.80 17.86 37.95 -8.56 2 0 13.07 -999 ? C3 TBU A 123 >LYS~A 40 16.94 34.21 -12.44 20.19 34.16 -8.19 18.56 34.19 -10.32 2 0 12.78 -999 ? C3 TBU A 123 >ALA~A 41 14.39 34.31 -15.28 12.88 34.08 -15.05 13.63 34.20 -15.16 2 0 15.92 -999 ? C2 TBU A 124 >VAL~A 42 14.60 38.13 -15.58 13.43 39.71 -14.84 14.01 38.92 -15.21 3 0 15.79 -999 ? C2 TBU A 124 >LYS~A 43 18.40 37.94 -15.59 20.86 39.29 -9.98 19.63 38.62 -12.78 2 0 16.15 -999 ? C3 TBU A 123 >GLY~A 44 18.14 35.33 -18.32 17.85 36.14 -18.30 17.99 35.74 -18.31 1 0 21.45 -999 ? C2 TBU A 124 >LEU~A 45 14.60 38.29 -19.85 13.15 39.28 -21.04 13.87 38.79 -20.44 3 0 19.01 -999 ? C2 TBU A 124 >LEU~A 46 18.73 41.22 -18.49 17.35 42.43 -17.44 18.04 41.83 -17.97 3 0 20.68 -999 ? C2 TBU A 124 >GLN~A 47 23.18 36.95 -21.07 24.33 35.50 -19.91 23.76 36.23 -20.49 2 0 25.28 -999 ? C3 TBU A 123 >PHE~A 48 17.24 36.52 -25.44 16.00 36.22 -27.98 16.62 36.37 -26.71 3 0 25.76 -999 ? C2 TBU A 124 >GLN~A 49 16.04 41.26 -23.84 14.72 42.39 -22.63 15.38 41.82 -23.23 2 0 21.25 -999 ? C2 TBU A 124 >GLY.A 50 22.08 41.99 -24.33 21.37 42.33 -23.99 21.72 42.16 -24.16 1 0 27.70 -999 ? C2 TBU A 124 >ILE.A 51 19.12 44.90 -22.00 19.19 45.89 -22.92 19.15 45.39 -22.46 3 0 24.74 -999 ? C2 TBU A 124 >GLU.A 52 24.36 42.56 -18.78 22.46 41.65 -18.37 23.41 42.10 -18.57 2 0 24.67 -999 ? C2 TBU A 124 >LYS.A 53 21.52 45.96 -15.37 16.00 48.22 -16.14 18.76 47.09 -15.75 2 0 19.63 -999 ? C2 TBU A 124 >ARG.A 54 25.69 43.59 -12.28 26.28 41.14 -10.54 25.99 42.37 -11.41 2 0 19.77 -999 ? C3 TBU A 123 >GLY.A 55 20.88 44.63 -8.30 20.84 43.90 -8.86 20.86 44.26 -8.58 1 0 17.92 -999 ? C3 TBU A 123 >HIS.A 56 20.24 40.52 -5.79 22.19 39.75 -5.87 21.21 40.13 -5.83 3 0 13.46 -999 ? C3 TBU A 123 >SER~A 57 15.34 43.95 -7.20 13.90 45.77 -7.54 14.62 44.86 -7.37 2 0 14.33 -999 ? C2 TBU A 124 >ILE~A 58 12.30 41.09 -9.70 11.85 39.89 -9.62 12.07 40.49 -9.66 3 0 11.71 -999 ? C2 TBU A 124 >SER~A 59 11.35 45.38 -10.44 9.83 47.14 -9.96 10.59 46.26 -10.20 2 0 11.88 -999 ? C2 TBU A 124 >HIS~A 60 14.99 48.71 -8.88 14.32 50.06 -7.41 14.66 49.39 -8.14 3 0 16.75 -999 ? C2 TBU A 124 >LEU~A 61 15.93 43.46 -13.27 17.65 42.38 -12.54 16.79 42.92 -12.90 3 0 17.41 -999 ? C2 TBU A 124 >LEU~A 62 11.21 44.94 -15.31 10.55 43.00 -14.81 10.88 43.97 -15.06 3 0 13.63 -999 ? C2 TBU A 124 >THR.A 63 11.99 48.02 -18.34 13.59 48.82 -19.48 12.79 48.42 -18.91 2 0 20.02 -999 ? C2 TBU A 124 >ASN.A 64 8.43 49.60 -20.44 9.18 51.62 -20.24 8.80 50.61 -20.34 2 0 19.57 -999 ? C2 TBU A 124 >PRO.A 65 7.62 45.75 -16.09 7.36 46.07 -18.31 7.49 45.91 -17.20 3 0 13.67 -999 ? C2 TBU A 124 >PRO~A 66 3.73 42.75 -19.78 3.93 44.63 -18.55 3.83 43.69 -19.16 3 0 13.22 -999 ? C2 TBU A 124 >ALA~A 67 1.26 45.77 -15.36 -0.21 46.32 -15.39 0.52 46.04 -15.37 2 0 10.59 -999 ? C2 TBU A 124 >ASP~A 68 0.01 41.06 -14.74 0.93 40.40 -16.53 0.47 40.73 -15.64 2 0 9.74 -999 ? C2 TBU A 124 >ILE~A 69 5.25 41.53 -15.63 5.89 40.10 -15.72 5.57 40.82 -15.68 3 0 10.14 -999 ? C2 TBU A 124 >LEU~A 70 5.10 46.12 -12.88 6.32 47.77 -12.33 5.71 46.94 -12.61 3 0 10.21 -999 ? C2 TBU A 124 >GLN~A 71 0.66 44.84 -10.32 -1.26 44.61 -11.07 -0.30 44.72 -10.70 2 0 6.46 -999 ? C2 TBU A 124 >CSS~A 72 4.29 40.32 -9.28 2.67 38.19 -10.15 3.48 39.25 -9.72 2 0 4.37 -999 ? C2 TBU A 124 >ALA~A 73 7.92 41.57 -9.45 8.58 42.37 -10.58 8.25 41.97 -10.02 2 0 8.99 -999 ? C2 TBU A 124 >THR~A 74 7.07 44.18 -6.70 6.19 46.18 -6.64 6.63 45.18 -6.67 2 0 8.11 -999 ? C2 TBU A 124 >PHE~A 75 3.64 39.61 -4.20 2.84 37.54 -2.38 3.24 38.58 -3.29 3 0 4.23 -999 ? C3 TBU A 124 >LEU~A 76 8.66 38.23 -6.23 7.79 36.30 -6.72 8.23 37.27 -6.47 3 0 8.07 -999 ? C2 TBU A 124 >ASP~A 77 10.85 43.06 -4.88 11.92 43.15 -6.75 11.38 43.10 -5.82 2 0 11.58 -999 ? C2 TBU A 124 >LYS~A 78 9.41 41.86 -0.76 8.43 45.47 -3.20 8.92 43.67 -1.98 2 0 10.01 -999 ? C2 TBU A 124 >GLN.A 79 8.60 37.19 -1.48 6.89 37.59 -0.14 7.75 37.39 -0.81 2 0 9.04 -999 ? C3 TBU A 124 >TYR.A 80 15.27 37.09 3.90 16.92 38.81 5.70 16.10 37.95 4.80 3 0 5.79 -999 ? C3 TBU A 123 >THR.A 81 15.80 40.44 2.55 16.31 41.91 1.07 16.05 41.18 1.81 2 0 9.98 -999 ? C3 TBU A 123 >PRO.A 82 12.86 43.06 4.72 14.71 42.07 4.16 13.78 42.56 4.44 3 0 10.49 -999 ? C3 TBU A 123 >SER.A 83 16.90 43.33 6.88 18.40 45.19 6.20 17.65 44.26 6.54 2 0 13.42 -999 ? C3 TBU A 123 >ARG.A 84 17.28 46.83 8.86 19.30 48.65 7.39 18.29 47.74 8.13 2 0 17.15 -999 ? C3 TBU A 123 >TYR.A 85 14.26 49.26 1.86 13.38 49.99 -0.71 13.82 49.63 0.57 3 0 17.71 -999 ? C3 TBU A 123 >PRO.A 86 12.43 45.14 -0.43 12.57 46.18 1.52 12.50 45.66 0.55 3 0 14.11 -999 ? C3 TBU A 123 >ASP.A 87 10.41 48.01 6.00 8.46 47.75 7.10 9.43 47.88 6.55 2 0 16.48 -999 ? C1 TBU A 124 >VAL.A 88 7.77 44.62 6.00 5.81 45.55 6.05 6.79 45.08 6.03 3 0 13.73 -999 ? C1 TBU A 124 >TYR.A 89 11.45 43.12 9.06 11.82 45.11 11.10 11.64 44.11 10.08 3 0 13.79 -999 ? C1 TBU A 123 >TYR.A 90 6.51 38.09 9.32 4.42 37.76 7.46 5.46 37.93 8.39 3 0 11.69 -999 ? C1 TBU A 123 >GLU.A 91 7.94 42.16 14.91 9.64 43.29 15.09 8.79 42.73 15.00 2 0 15.96 -999 ? C1 TBU A 123 >GLY.A 92 10.38 36.88 15.72 10.59 37.10 14.94 10.48 36.99 15.33 1 0 12.18 -999 ? C1 TBU A 123 >ALA~A 93 11.06 33.67 13.68 10.95 32.30 14.31 11.01 32.98 13.99 2 0 9.39 -999 ? C1 TBU A 123 >PRO~A 94 11.63 35.94 9.97 10.10 34.47 10.84 10.86 35.21 10.41 3 0 7.17 -999 ? C1 TBU A 123 >TYR~A 95 9.74 29.20 10.46 9.95 27.95 12.98 9.84 28.57 11.72 3 0 8.23 -999 ? C1 TBU A 123 >GLU~A 96 7.33 30.25 13.94 7.30 30.29 16.04 7.32 30.27 14.99 2 0 12.75 -999 ? C1 TBU A 123 >TYR~A 97 4.64 35.00 12.18 4.84 34.97 14.95 4.74 34.99 13.57 3 0 13.22 -999 ? C1 TBU A 123 >TYR~A 98 5.98 33.07 5.30 7.74 35.04 4.51 6.86 34.05 4.90 3 0 7.66 -999 ? C2 TBU A 123 >THR~A 99 0.81 30.67 5.22 -0.55 32.32 5.43 0.13 31.50 5.33 2 0 12.58 -999 ? C3 TBU A 124 >GLU~A 100 -1.09 26.31 1.30 -2.02 24.42 1.76 -1.55 25.37 1.53 2 0 15.75 -999 ? C3 TBU A 124 >ARG~A 101 -4.31 34.38 0.67 -2.89 36.85 1.87 -3.60 35.62 1.27 2 0 7.84 -999 ? C1 TBU A 124 >ASP~A 102 2.47 33.44 1.81 1.66 34.62 3.37 2.07 34.03 2.59 2 0 9.92 -999 ? C3 TBU A 124 >ALA~A 103 3.18 30.19 -0.98 3.29 28.83 -0.35 3.23 29.51 -0.67 2 0 11.31 -999 ? C2 TBU A 123 >ASP~A 104 -1.03 29.83 -3.51 -1.57 27.93 -2.87 -1.30 28.88 -3.19 2 0 10.72 -999 ? C3 TBU A 124 >GLU~A 105 -1.09 34.87 -3.20 -1.78 36.43 -1.95 -1.43 35.65 -2.58 2 0 4.41 -999 ? C3 TBU A 124 >CSS~A 106 4.56 33.69 -4.55 5.56 34.59 -2.10 5.06 34.14 -3.32 2 0 7.70 -999 ? C3 TBU A 124 >ILE~A 107 4.22 29.09 -6.27 4.45 27.69 -6.00 4.34 28.39 -6.13 3 0 10.82 -999 ? C3 TBU A 124 >ASN~A 108 0.61 31.83 -8.73 -0.25 29.94 -8.32 0.18 30.89 -8.53 2 0 8.66 -999 ? C3 TBU A 124 >CSS~A 109 3.82 35.08 -9.53 2.84 37.36 -8.26 3.33 36.22 -8.90 2 0 3.83 -999 ? C2 TBU A 124 >ALA~A 110 7.09 33.17 -10.24 7.85 32.16 -9.26 7.47 32.67 -9.75 2 0 10.69 -999 ? C3 TBU A 124 >ILE~A 111 4.03 30.27 -12.53 3.31 29.02 -12.52 3.67 29.65 -12.53 3 0 11.62 -999 ? C3 TBU A 124 >ARG~A 112 0.96 36.57 -13.35 -0.55 35.80 -15.69 0.20 36.19 -14.52 2 0 9.96 -999 ? O TBU A 124 >ILE~A 113 8.01 36.54 -13.52 8.62 37.63 -12.79 8.32 37.08 -13.15 3 0 10.38 -999 ? C2 TBU A 124 >LEU~A 114 9.09 31.46 -15.04 10.37 29.74 -15.53 9.73 30.60 -15.28 3 0 15.66 -999 ? C2 TBU A 124 >ASN~A 115 4.88 31.90 -18.47 4.25 30.15 -17.64 4.56 31.03 -18.05 2 0 15.08 -999 ? C3 TBU A 124 >TRP~A 116 5.50 39.01 -20.27 8.75 40.83 -18.96 7.12 39.92 -19.62 3 0 14.33 -999 ? C2 TBU A 124 >VAL~A 117 10.27 35.64 -19.94 12.01 35.70 -18.60 11.14 35.67 -19.27 3 0 16.87 -999 ? C2 TBU A 124 >LYS~A 118 10.15 32.31 -21.86 9.27 27.00 -19.50 9.71 29.66 -20.68 2 0 20.15 -999 ? C3 TBU A 124 >GLY~A 119 7.74 33.89 -24.31 8.52 34.17 -24.11 8.13 34.03 -24.21 1 0 19.89 -999 ? C2 TBU A 124 >GLN~A 120 9.31 38.47 -23.92 9.73 39.84 -22.35 9.52 39.15 -23.13 2 0 17.97 -999 ? C2 TBU A 124 >ILE~A 121 13.98 33.56 -24.52 14.97 33.22 -23.52 14.47 33.39 -24.02 3 0 23.06 -999 ? C2 TBU A 124 >LYS.A 122 12.40 34.21 -29.43 16.59 31.50 -31.14 14.50 32.85 -30.28 2 0 30.33 -999 ? C2 TBU A 124