REM -------------------------------------------------------------------- 4HJM REM 4HJM REM STRIDE: Knowledge-based secondary structure assignment 4HJM REM Please cite: D.Frishman & P.Argos, Proteins XX, XXX-XXX, 1995 4HJM REM 4HJM REM Residue accessible surface area calculation 4HJM REM Please cite: F.Eisenhaber & P.Argos, J.Comp.Chem. 14, 1272-1280, 1993 4HJM REM F.Eisenhaber et al., J.Comp.Chem., 1994, submitted 4HJM REM 4HJM REM ------------------------ General information ----------------------- 4HJM REM 4HJM HDR OXIDOREDUCTASE 13-OCT-12 4HJM 4HJM CMP MOL_ID: 1; 4HJM CMP MOLECULE: GLUTAREDOXIN; 4HJM CMP CHAIN: A; 4HJM CMP SYNONYM: GLUTAREDOXIN 1; 4HJM CMP EC: 1.20.4.1; 4HJM CMP ENGINEERED: YES 4HJM SRC MOL_ID: 1; 4HJM SRC ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; 4HJM SRC ORGANISM_TAXID: 36329; 4HJM SRC STRAIN: 3D7; 4HJM SRC GENE: GRX1, PFC0271C; 4HJM SRC EXPRESSION_SYSTEM: ESCHERICHIA COLI; 4HJM SRC EXPRESSION_SYSTEM_TAXID: 1007065; 4HJM SRC EXPRESSION_SYSTEM_STRAIN: M15; 4HJM SRC EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; 4HJM SRC EXPRESSION_SYSTEM_PLASMID: PQE30 4HJM AUT Y.MANICKAM,A.SHARMA 4HJM REM 4HJM REM -------------------- Secondary structure summary ------------------- 4HJM REM 4HJM CHN /home/proj/stride/tmp/tmp4npmZCpdb A 4HJM REM 4HJM REM . . . . . 4HJM SEQ 1 EAVKKWVNKIIEENIIAVFAKTECPYCIKAISILKGYNLNSHMHVENIEK 50 4HJM STR HHHHHHHHHHHHHTTEEEEETTTTHHHHHHHHHHHHH GGGEEEEETTT 4HJM REM 4HJM REM . . . . . 4HJM SEQ 51 NPDMANIQAYLKELTGKSSVPRIFINKDVVGGCDDLVKENDEGKLKERLQ 100 4HJM STR T HHHHHHHHHHHHH TTTEEEETTEEEE HHHHHHHHHH HHHHHHH 4HJM REM 4HJM REM 4HJM SEQ 101 KLGLVN 106 4HJM STR HH 4HJM REM 4HJM REM 4HJM REM 4HJM LOC AlphaHelix GLU 6 A GLU 18 A 4HJM LOC AlphaHelix PRO 30 A TYR 42 A 4HJM LOC AlphaHelix ASP 58 A THR 70 A 4HJM LOC AlphaHelix CYS 88 A GLU 97 A 4HJM LOC AlphaHelix LYS 99 A LEU 107 A 4HJM LOC 310Helix ASN 45 A HIS 47 A 4HJM LOC Strand ILE 21 A ALA 25 A 4HJM LOC Strand MET 48 A ASN 52 A 4HJM LOC Strand ARG 77 A ILE 80 A 4HJM LOC Strand ASP 83 A GLY 86 A 4HJM LOC TurnVIII ASN 19 A ALA 22 A 4HJM LOC TurnIV LYS 26 A CYS 29 A 4HJM LOC TurnI ASN 52 A LYS 55 A 4HJM LOC TurnIV ILE 53 A ASN 56 A 4HJM LOC TurnIV SER 74 A ARG 77 A 4HJM LOC TurnIV PHE 79 A LYS 82 A 4HJM LOC TurnI' ILE 80 A ASP 83 A 4HJM LOC Disulfide CYS 29 A CYS 32 A PDB 4HJM REM 4HJM REM --------------- Detailed secondary structure assignment------------- 4HJM REM 4HJM REM |---Residue---| |--Structure--| |-Phi-| |-Psi-| |-Area-| 4HJM ASG GLU A 6 1 H AlphaHelix 360.00 -53.54 97.8 4HJM ASG ALA A 7 2 H AlphaHelix -58.46 -46.23 78.2 4HJM ASG VAL A 8 3 H AlphaHelix -62.16 -46.53 31.1 4HJM ASG LYS A 9 4 H AlphaHelix -61.78 -42.87 91.2 4HJM ASG LYS A 10 5 H AlphaHelix -61.32 -39.13 139.0 4HJM ASG TRP A 11 6 H AlphaHelix -67.29 -44.82 90.0 4HJM ASG VAL A 12 7 H AlphaHelix -62.04 -47.19 0.0 4HJM ASG ASN A 13 8 H AlphaHelix -55.09 -44.11 47.9 4HJM ASG LYS A 14 9 H AlphaHelix -59.49 -40.93 119.0 4HJM ASG ILE A 15 10 H AlphaHelix -62.54 -45.68 15.1 4HJM ASG ILE A 16 11 H AlphaHelix -68.04 -37.12 11.2 4HJM ASG GLU A 17 12 H AlphaHelix -85.04 -26.72 114.4 4HJM ASG GLU A 18 13 H AlphaHelix -92.10 -7.04 139.4 4HJM ASG ASN A 19 14 T Turn -129.60 125.67 43.9 4HJM ASG ILE A 20 15 T Turn -58.53 -46.10 48.4 4HJM ASG ILE A 21 16 E Strand -108.76 116.23 0.0 4HJM ASG ALA A 22 17 E Strand -119.82 125.98 0.2 4HJM ASG VAL A 23 18 E Strand -123.57 124.15 0.2 4HJM ASG PHE A 24 19 E Strand -98.34 127.55 0.0 4HJM ASG ALA A 25 20 E Strand -136.17 -179.81 5.6 4HJM ASG LYS A 26 21 T Turn -137.41 177.92 85.5 4HJM ASG THR A 27 22 T Turn -70.83 136.14 46.1 4HJM ASG GLU A 28 23 T Turn 51.06 58.79 178.0 4HJM ASG CYS A 29 24 T Turn -122.68 100.21 12.5 4HJM ASG PRO A 30 25 H AlphaHelix -58.16 -38.90 94.9 4HJM ASG TYR A 31 26 H AlphaHelix -75.87 -24.82 138.3 4HJM ASG CYS A 32 27 H AlphaHelix -63.79 -49.37 2.4 4HJM ASG ILE A 33 28 H AlphaHelix -60.37 -46.48 107.7 4HJM ASG LYS A 34 29 H AlphaHelix -59.06 -47.32 104.0 4HJM ASG ALA A 35 30 H AlphaHelix -62.29 -45.36 0.0 4HJM ASG ILE A 36 31 H AlphaHelix -61.79 -40.50 27.5 4HJM ASG SER A 37 32 H AlphaHelix -64.90 -41.68 80.7 4HJM ASG ILE A 38 33 H AlphaHelix -61.21 -45.98 34.1 4HJM ASG LEU A 39 34 H AlphaHelix -64.67 -42.20 0.0 4HJM ASG LYS A 40 35 H AlphaHelix -65.44 -24.58 97.0 4HJM ASG GLY A 41 36 H AlphaHelix -63.85 -22.96 59.2 4HJM ASG TYR A 42 37 H AlphaHelix -91.87 14.42 55.0 4HJM ASG ASN A 43 38 C Coil 56.49 44.28 134.9 4HJM ASG LEU A 44 39 C Coil -95.51 2.91 0.8 4HJM ASG ASN A 45 40 G 310Helix -44.95 -43.98 84.5 4HJM ASG SER A 46 41 G 310Helix -64.80 -20.74 100.7 4HJM ASG HIS A 47 42 G 310Helix -119.93 23.23 81.1 4HJM ASG MET A 48 43 E Strand -114.22 139.94 24.9 4HJM ASG HIS A 49 44 E Strand -129.01 131.19 58.2 4HJM ASG VAL A 50 45 E Strand -112.50 124.48 57.9 4HJM ASG GLU A 51 46 E Strand -112.36 123.40 44.3 4HJM ASG ASN A 52 47 E Strand -85.40 103.85 44.7 4HJM ASG ILE A 53 48 T Turn -84.49 -9.71 0.0 4HJM ASG GLU A 54 49 T Turn -73.86 -36.46 84.2 4HJM ASG LYS A 55 50 T Turn -83.46 66.78 153.4 4HJM ASG ASN A 56 51 T Turn -164.10 137.88 35.0 4HJM ASG PRO A 57 52 C Coil -69.41 -16.00 123.6 4HJM ASG ASP A 58 53 H AlphaHelix -113.29 33.34 66.8 4HJM ASG MET A 59 54 H AlphaHelix -48.92 -49.05 37.2 4HJM ASG ALA A 60 55 H AlphaHelix -62.59 -40.65 72.0 4HJM ASG ASN A 61 56 H AlphaHelix -64.21 -41.62 89.7 4HJM ASG ILE A 62 57 H AlphaHelix -64.06 -46.84 0.8 4HJM ASG GLN A 63 58 H AlphaHelix -60.42 -41.92 47.7 4HJM ASG ALA A 64 59 H AlphaHelix -62.70 -42.46 49.8 4HJM ASG TYR A 65 60 H AlphaHelix -64.57 -41.51 25.4 4HJM ASG LEU A 66 61 H AlphaHelix -62.11 -33.79 0.0 4HJM ASG LYS A 67 62 H AlphaHelix -69.49 -38.80 116.1 4HJM ASG GLU A 68 63 H AlphaHelix -59.96 -37.40 125.3 4HJM ASG LEU A 69 64 H AlphaHelix -79.36 -31.45 67.1 4HJM ASG THR A 70 65 H AlphaHelix -128.36 -14.70 31.4 4HJM ASG GLY A 71 66 C Coil 96.81 -12.20 50.4 4HJM ASG LYS A 72 67 C Coil -133.76 148.48 113.4 4HJM ASG SER A 73 68 C Coil -97.83 -4.83 47.3 4HJM ASG SER A 74 69 T Turn -81.17 156.29 57.5 4HJM ASG VAL A 75 70 T Turn -108.50 151.13 22.1 4HJM ASG PRO A 76 71 T Turn -74.27 151.68 5.8 4HJM ASG ARG A 77 72 E Strand -122.26 124.23 5.4 4HJM ASG ILE A 78 73 E Strand -121.04 128.42 0.9 4HJM ASG PHE A 79 74 E Strand -119.77 140.64 5.2 4HJM ASG ILE A 80 75 E Strand -127.86 117.41 3.2 4HJM ASG ASN A 81 76 T Turn 47.99 47.41 84.3 4HJM ASG LYS A 82 77 T Turn 72.05 -5.26 120.1 4HJM ASG ASP A 83 78 E Strand -87.43 141.21 85.1 4HJM ASG VAL A 84 79 E Strand -77.57 118.84 52.3 4HJM ASG VAL A 85 80 E Strand -88.21 -48.49 9.4 4HJM ASG GLY A 86 81 E Strand 120.91 -130.22 2.7 4HJM ASG GLY A 87 82 C Coil -103.61 -170.61 8.2 4HJM ASG CYS A 88 83 H AlphaHelix -61.77 -40.79 4.3 4HJM ASG ASP A 89 84 H AlphaHelix -63.48 -40.19 117.9 4HJM ASG ASP A 90 85 H AlphaHelix -60.82 -40.31 62.2 4HJM ASG LEU A 91 86 H AlphaHelix -65.53 -40.94 0.0 4HJM ASG VAL A 92 87 H AlphaHelix -63.51 -42.22 39.9 4HJM ASG LYS A 93 88 H AlphaHelix -63.06 -47.37 117.9 4HJM ASG GLU A 94 89 H AlphaHelix -61.73 -40.53 22.7 4HJM ASG ASN A 95 90 H AlphaHelix -64.33 -51.06 42.4 4HJM ASG ASP A 96 91 H AlphaHelix -65.96 -27.56 124.3 4HJM ASG GLU A 97 92 H AlphaHelix -100.72 3.82 132.2 4HJM ASG GLY A 98 93 C Coil 91.40 -4.38 34.8 4HJM ASG LYS A 99 94 H AlphaHelix -69.75 -38.44 96.3 4HJM ASG LEU A 100 95 H AlphaHelix -63.43 -45.90 0.0 4HJM ASG LYS A 101 96 H AlphaHelix -61.60 -41.59 99.6 4HJM ASG GLU A 102 97 H AlphaHelix -57.78 -46.12 93.7 4HJM ASG ARG A 103 98 H AlphaHelix -55.32 -48.61 31.7 4HJM ASG LEU A 104 99 H AlphaHelix -69.84 -34.81 0.0 4HJM ASG GLN A 105 100 H AlphaHelix -63.30 -41.79 86.1 4HJM ASG LYS A 106 101 H AlphaHelix -68.44 -17.41 158.2 4HJM ASG LEU A 107 102 H AlphaHelix -97.57 0.49 55.6 4HJM ASG GLY A 108 103 C Coil 71.92 18.06 66.4 4HJM ASG LEU A 109 104 C Coil -90.09 -23.85 35.6 4HJM ASG VAL A 110 105 C Coil -136.12 148.26 28.6 4HJM ASG ASN A 111 106 C Coil -72.03 360.00 132.2 4HJM