REM -------------------------------------------------------------------- 5AUI REM 5AUI REM STRIDE: Knowledge-based secondary structure assignment 5AUI REM Please cite: D.Frishman & P.Argos, Proteins XX, XXX-XXX, 1995 5AUI REM 5AUI REM Residue accessible surface area calculation 5AUI REM Please cite: F.Eisenhaber & P.Argos, J.Comp.Chem. 14, 1272-1280, 1993 5AUI REM F.Eisenhaber et al., J.Comp.Chem., 1994, submitted 5AUI REM 5AUI REM ------------------------ General information ----------------------- 5AUI REM 5AUI HDR ELECTRON TRANSPORT 21-APR-15 5AUI 5AUI CMP MOL_ID: 1; 5AUI CMP MOLECULE: FERREDOXIN-1; 5AUI CMP CHAIN: A; 5AUI CMP SYNONYM: FERREDOXIN I; 5AUI CMP ENGINEERED: YES; 5AUI CMP OTHER_DETAILS: IT CONTAINS AN EXPECTED POST-TRANSLATIONAL 5AUI CMP MODIFICATION REVEALED BY THIS HIGH-RESOLUTION X-RAY ANALYSIS 5AUI SRC MOL_ID: 1; 5AUI SRC ORGANISM_SCIENTIFIC: THERMOSYNECHOCOCCUS ELONGATUS (STRAIN B 5AUI SRC ORGANISM_TAXID: 197221; 5AUI SRC STRAIN: BP-1; 5AUI SRC GENE: PETF1, PETF; 5AUI SRC EXPRESSION_SYSTEM: ESCHERICHIA COLI; 5AUI SRC EXPRESSION_SYSTEM_TAXID: 562 5AUI AUT G.KURISU,K.SHINMURA 5AUI REM 5AUI REM -------------------- Secondary structure summary ------------------- 5AUI REM 5AUI CHN /home/proj/stride/tmp/tmp4xsEjmpdb A 5AUI REM 5AUI REM . . . . . 5AUI SEQ 1 ATYKVTLVRPDGSETTIDVPEDEYILDVAEEQGLDLPFSCRAGACSTCAG 50 5AUI STR EEEEEEETTTT EEEEEEETTT HHHHHHHH TTTT TTTEE 5AUI REM 5AUI REM . . . . 5AUI SEQ 51 KLLEGEVDQSDQSFLDDDQIEKGFVLTCVAYPRSDKILTNQEEELY 96 5AUI STR EEEEEEEETTTT HHHHHH EEETTTTEEEEEEEE GGGG 5AUI REM 5AUI REM 5AUI REM 5AUI LOC AlphaHelix ILE 25 A GLN 32 A 5AUI LOC AlphaHelix ASP 67 A LYS 72 A 5AUI LOC 310Helix GLU 93 A LEU 96 A 5AUI LOC Strand THR 2 A VAL 8 A 5AUI LOC Strand GLU 14 A PRO 20 A 5AUI LOC Strand ALA 49 A ASP 58 A 5AUI LOC Strand PHE 74 A LEU 76 A 5AUI LOC Strand TYR 81 A LEU 89 A 5AUI LOC TurnI ARG 9 A GLY 12 A 5AUI LOC TurnI PRO 20 A GLU 23 A 5AUI LOC TurnIV PHE 38 A ARG 41 A 5AUI LOC TurnI SER 46 A ALA 49 A 5AUI LOC TurnIV LEU 52 A GLY 55 A 5AUI LOC TurnI GLN 59 A GLN 62 A 5AUI LOC TurnI LEU 76 A VAL 79 A 5AUI LOC TurnI THR 77 A ALA 80 A 5AUI REM 5AUI REM --------------- Detailed secondary structure assignment------------- 5AUI REM 5AUI REM |---Residue---| |--Structure--| |-Phi-| |-Psi-| |-Area-| 5AUI ASG ALA A 1 1 C Coil 360.00 150.64 72.2 5AUI ASG THR A 2 2 E Strand -125.20 136.50 86.9 5AUI ASG TYR A 3 3 E Strand -119.05 149.58 51.9 5AUI ASG LYS A 4 4 E Strand -82.94 116.58 117.8 5AUI ASG VAL A 5 5 E Strand -110.67 114.16 5.4 5AUI ASG THR A 6 6 E Strand -96.72 123.13 23.7 5AUI ASG LEU A 7 7 E Strand -102.40 121.26 0.0 5AUI ASG VAL A 8 8 E Strand -104.19 114.87 12.8 5AUI ASG ARG A 9 9 T Turn -89.90 166.35 49.8 5AUI ASG PRO A 10 10 T Turn -63.74 -20.47 97.5 5AUI ASG ASP A 11 11 T Turn -85.06 2.87 131.7 5AUI ASG GLY A 12 12 T Turn 88.26 -5.28 47.3 5AUI ASG SER A 13 13 C Coil -64.72 145.17 49.5 5AUI ASG GLU A 14 14 E Strand -125.21 133.09 105.1 5AUI ASG THR A 15 15 E Strand -129.74 122.51 60.5 5AUI ASG THR A 16 16 E Strand -95.69 131.28 73.8 5AUI ASG ILE A 17 17 E Strand -125.69 158.02 8.4 5AUI ASG ASP A 18 18 E Strand -94.72 119.89 106.0 5AUI ASG VAL A 19 19 E Strand -120.06 117.13 0.0 5AUI ASG PRO A 20 20 E Strand -60.78 149.04 28.3 5AUI ASG GLU A 21 21 T Turn -60.76 -21.46 82.7 5AUI ASG ASP A 22 22 T Turn -105.27 20.58 117.1 5AUI ASG GLU A 23 23 T Turn -125.49 146.90 72.5 5AUI ASG TYR A 24 24 C Coil -77.06 144.27 54.0 5AUI ASG ILE A 25 25 H AlphaHelix -58.63 -43.27 1.2 5AUI ASG LEU A 26 26 H AlphaHelix -61.60 -43.76 0.0 5AUI ASG ASP A 27 27 H AlphaHelix -59.95 -44.37 60.7 5AUI ASG VAL A 28 28 H AlphaHelix -70.18 -36.70 0.6 5AUI ASG ALA A 29 29 H AlphaHelix -59.97 -45.03 0.0 5AUI ASG GLU A 30 30 H AlphaHelix -65.86 -37.34 44.8 5AUI ASG GLU A 31 31 H AlphaHelix -61.20 -33.68 133.2 5AUI ASG GLN A 32 32 H AlphaHelix -87.40 7.18 116.8 5AUI ASG GLY A 33 33 C Coil 86.38 10.79 57.2 5AUI ASG LEU A 34 34 C Coil -76.98 150.92 24.1 5AUI ASG ASP A 35 35 C Coil -117.48 92.28 136.0 5AUI ASG LEU A 36 36 C Coil -95.97 151.46 9.8 5AUI ASG PRO A 37 37 C Coil -73.04 142.02 38.7 5AUI ASG PHE A 38 38 T Turn -155.76 172.93 87.8 5AUI ASG SER A 39 39 T Turn -144.38 -75.91 84.4 5AUI ASG CYS A 40 40 T Turn -72.65 -30.31 54.3 5AUI ASG ARG A 41 41 T Turn 52.49 26.93 97.0 5AUI ASG ALA A 42 42 C Coil -128.36 9.66 62.2 5AUI ASG GLY A 43 43 C Coil 76.70 11.87 0.8 5AUI ASG ALA A 44 44 C Coil -114.92 15.53 56.8 5AUI ASG CYS A 45 45 C Coil -142.40 -171.34 29.4 5AUI ASG SER A 46 46 T Turn -112.17 3.29 1.4 5AUI ASG THR A 47 47 T Turn -63.80 -36.20 33.4 5AUI ASG CYS A 48 48 T Turn -94.25 14.18 6.1 5AUI ASG ALA A 49 49 E Strand -59.16 141.01 0.5 5AUI ASG GLY A 50 50 E Strand -133.26 172.86 0.0 5AUI ASG LYS A 51 51 E Strand -127.18 125.25 66.5 5AUI ASG LEU A 52 52 E Strand -68.37 125.48 35.7 5AUI ASG LEU A 53 53 E Strand -98.89 -30.77 86.6 5AUI ASG GLU A 54 54 E Strand -155.50 151.85 122.0 5AUI ASG GLY A 55 55 E Strand 96.83 -171.16 42.5 5AUI ASG GLU A 56 56 E Strand -140.63 143.52 129.9 5AUI ASG VAL A 57 57 E Strand -126.80 164.75 26.2 5AUI ASG ASP A 58 58 E Strand -112.32 111.30 52.8 5AUI ASG GLN A 59 59 T Turn -123.06 42.68 23.1 5AUI ASG SER A 60 60 T Turn -60.90 -23.28 95.4 5AUI ASG ASP A 61 61 T Turn -74.23 -7.34 81.9 5AUI ASG GLN A 62 62 T Turn -71.25 140.17 38.8 5AUI ASG SER A 63 63 C Coil -136.58 35.03 87.0 5AUI ASG PHE A 64 64 C Coil -123.77 -35.29 74.8 5AUI ASG LEU A 65 65 C Coil -85.03 134.90 12.1 5AUI ASG ASP A 66 66 C Coil -82.23 176.67 82.7 5AUI ASG ASP A 67 67 H AlphaHelix -61.94 -41.40 126.7 5AUI ASG ASP A 68 68 H AlphaHelix -66.66 -37.91 82.2 5AUI ASG GLN A 69 69 H AlphaHelix -63.88 -44.56 30.1 5AUI ASG ILE A 70 70 H AlphaHelix -56.77 -47.20 63.9 5AUI ASG GLU A 71 71 H AlphaHelix -62.72 -26.40 152.2 5AUI ASG LYS A 72 72 H AlphaHelix -84.14 -5.14 103.7 5AUI ASG GLY A 73 73 C Coil 103.96 0.42 13.0 5AUI ASG PHE A 74 74 E Strand -67.73 143.46 10.4 5AUI ASG VAL A 75 75 E Strand -140.02 145.92 1.2 5AUI ASG LEU A 76 76 E Strand -96.46 106.47 0.0 5AUI ASG THR A 77 77 T Turn -62.05 -24.08 5.0 5AUI ASG CYS A 78 78 T Turn -74.18 -14.80 4.9 5AUI ASG VAL A 79 79 T Turn -129.30 18.85 5.5 5AUI ASG ALA A 80 80 T Turn -103.62 118.49 0.0 5AUI ASG TYR A 81 81 E Strand -89.44 142.11 56.1 5AUI ASG PRO A 82 82 E Strand -73.84 143.57 1.8 5AUI ASG ARG A 83 83 E Strand -120.06 -1.06 82.1 5AUI ASG SER A 84 84 E Strand -162.23 176.06 35.9 5AUI ASG ASP A 85 85 E Strand -52.62 360.00 92.0 5AUI ASG LYS A 87 86 E Strand 360.00 125.04 60.1 5AUI ASG ILE A 88 87 E Strand -128.57 125.31 2.6 5AUI ASG LEU A 89 88 E Strand -76.00 123.06 50.3 5AUI ASG THR A 90 89 C Coil -87.64 171.05 5.7 5AUI ASG ASN A 91 90 C Coil 60.40 44.29 62.6 5AUI ASG GLN A 92 91 C Coil -94.33 4.98 26.7 5AUI ASG GLU A 93 92 G 310Helix -43.47 -46.24 70.9 5AUI ASG GLU A 94 93 G 310Helix -68.56 -21.29 153.5 5AUI ASG GLU A 95 94 G 310Helix -68.91 -15.69 118.1 5AUI ASG LEU A 96 95 G 310Helix -86.61 -3.16 19.4 5AUI ASG TYR A 97 96 C Coil -121.19 360.00 185.4 5AUI