Header list of 1roo.pdb file
Complete list - 29 20 Bytes
HEADER POTASSIUM CHANNEL INHIBITOR 11-JAN-96 1ROO TITLE NMR SOLUTION STRUCTURE OF SHK TOXIN, NMR, 20 STRUCTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: SHK TOXIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: SHKTX; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STICHODACTYLA HELIANTHUS; SOURCE 3 ORGANISM_TAXID: 6123 KEYWDS NEUROTOXIN, POTASSIUM CHANNEL INHIBITOR EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR J.E.TUDOR,P.K.PALLAGHY,M.W.PENNINGTON,R.S.NORTON REVDAT 3 29-NOV-17 1ROO 1 REMARK HELIX REVDAT 2 24-FEB-09 1ROO 1 VERSN REVDAT 1 27-JAN-97 1ROO 0 JRNL AUTH J.E.TUDOR,P.K.PALLAGHY,M.W.PENNINGTON,R.S.NORTON JRNL TITL SOLUTION STRUCTURE OF SHK TOXIN, A NOVEL POTASSIUM CHANNEL JRNL TITL 2 INHIBITOR FROM A SEA ANEMONE. JRNL REF NAT.STRUCT.BIOL. V. 3 317 1996 JRNL REFN ISSN 1072-8368 JRNL PMID 8599755 JRNL DOI 10.1038/NSB0496-317 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.POHL,F.HUBALEK,M.E.BYRNES,K.R.NIELSEN,A.WOODS, REMARK 1 AUTH 2 M.W.PENNINGTON REMARK 1 TITL ASSIGNMENT OF THE THREE DISULFIDE BONDS IN SHK TOXIN: A REMARK 1 TITL 2 POTENT POTASSIUM CHANNEL INHIBITOR FROM THE SEA ANEMONE REMARK 1 TITL 3 STICHODACTYLA HELIANTHUS REMARK 1 REF LETT.PEPT.SCI. V. 1 291 1995 REMARK 1 REFN ISSN 0929-5666 REMARK 1 REFERENCE 2 REMARK 1 AUTH M.W.PENNINGTON,M.E.BYRNES,I.ZAYDENBERG,I.KHAYTIN, REMARK 1 AUTH 2 J.DE CHASTONAY,D.S.KRAFTE,R.HILL,V.M.MAHNIR,W.A.VOLBERG, REMARK 1 AUTH 3 W.GORCZYCA REMARK 1 TITL CHEMICAL SYNTHESIS AND CHARACTERIZATION OF SHK TOXIN: A REMARK 1 TITL 2 POTENT POTASSIUM CHANNEL INHIBITOR FROM A SEA ANEMONE REMARK 1 REF INT.J.PEPT.PROTEIN RES. V. 46 354 1995 REMARK 1 REFN ISSN 0367-8377 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1ROO COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000176165. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 4.8 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 1 HIS A 19 CG HIS A 19 ND1 -0.098 REMARK 500 2 HIS A 19 CG HIS A 19 ND1 -0.099 REMARK 500 3 HIS A 19 CG HIS A 19 ND1 -0.101 REMARK 500 4 HIS A 19 CG HIS A 19 ND1 -0.100 REMARK 500 5 CYS A 12 CA CYS A 12 CB -0.103 REMARK 500 5 HIS A 19 CG HIS A 19 ND1 -0.104 REMARK 500 6 HIS A 19 CG HIS A 19 ND1 -0.098 REMARK 500 7 HIS A 19 CG HIS A 19 ND1 -0.101 REMARK 500 8 HIS A 19 CG HIS A 19 ND1 -0.100 REMARK 500 9 HIS A 19 CG HIS A 19 ND1 -0.103 REMARK 500 10 HIS A 19 CG HIS A 19 ND1 -0.098 REMARK 500 11 HIS A 19 CG HIS A 19 ND1 -0.098 REMARK 500 12 HIS A 19 CG HIS A 19 ND1 -0.101 REMARK 500 13 HIS A 19 CG HIS A 19 ND1 -0.098 REMARK 500 14 HIS A 19 CG HIS A 19 ND1 -0.101 REMARK 500 15 HIS A 19 CG HIS A 19 ND1 -0.101 REMARK 500 15 CYS A 28 CA CYS A 28 CB -0.086 REMARK 500 16 HIS A 19 CG HIS A 19 ND1 -0.101 REMARK 500 17 HIS A 19 CG HIS A 19 ND1 -0.099 REMARK 500 18 HIS A 19 CG HIS A 19 ND1 -0.102 REMARK 500 19 HIS A 19 CG HIS A 19 ND1 -0.107 REMARK 500 20 HIS A 19 CG HIS A 19 ND1 -0.100 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 1 ARG A 24 NE - CZ - NH2 ANGL. DEV. = -4.5 DEGREES REMARK 500 1 ARG A 29 NE - CZ - NH2 ANGL. DEV. = -3.4 DEGREES REMARK 500 2 ARG A 11 NE - CZ - NH2 ANGL. DEV. = -3.3 DEGREES REMARK 500 2 CYS A 17 CA - CB - SG ANGL. DEV. = 11.7 DEGREES REMARK 500 2 CYS A 35 CA - CB - SG ANGL. DEV. = 8.5 DEGREES REMARK 500 3 ARG A 24 NE - CZ - NH2 ANGL. DEV. = -4.3 DEGREES REMARK 500 4 ARG A 11 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES REMARK 500 4 ARG A 29 NE - CZ - NH1 ANGL. DEV. = -3.5 DEGREES REMARK 500 5 ARG A 11 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES REMARK 500 5 ARG A 29 NE - CZ - NH1 ANGL. DEV. = -3.7 DEGREES REMARK 500 6 TYR A 23 CB - CG - CD2 ANGL. DEV. = -4.8 DEGREES REMARK 500 6 TYR A 23 CB - CG - CD1 ANGL. DEV. = 4.0 DEGREES REMARK 500 6 ARG A 24 NE - CZ - NH1 ANGL. DEV. = -3.2 DEGREES REMARK 500 6 ARG A 29 NE - CZ - NH2 ANGL. DEV. = -3.8 DEGREES REMARK 500 7 ARG A 24 NE - CZ - NH2 ANGL. DEV. = -4.6 DEGREES REMARK 500 8 ARG A 11 NE - CZ - NH1 ANGL. DEV. = -3.1 DEGREES REMARK 500 8 ARG A 24 NE - CZ - NH1 ANGL. DEV. = -3.3 DEGREES REMARK 500 9 ARG A 29 NE - CZ - NH2 ANGL. DEV. = -3.9 DEGREES REMARK 500 10 CYS A 3 CA - CB - SG ANGL. DEV. = 6.8 DEGREES REMARK 500 10 ARG A 11 NE - CZ - NH1 ANGL. DEV. = -3.5 DEGREES REMARK 500 10 CYS A 17 CA - CB - SG ANGL. DEV. = 12.9 DEGREES REMARK 500 10 ARG A 24 NE - CZ - NH2 ANGL. DEV. = -4.0 DEGREES REMARK 500 11 ARG A 24 NE - CZ - NH1 ANGL. DEV. = -3.3 DEGREES REMARK 500 11 ARG A 29 NE - CZ - NH2 ANGL. DEV. = -4.5 DEGREES REMARK 500 11 THR A 34 OG1 - CB - CG2 ANGL. DEV. = -14.1 DEGREES REMARK 500 12 ARG A 11 NE - CZ - NH1 ANGL. DEV. = -3.8 DEGREES REMARK 500 12 ARG A 24 NE - CZ - NH2 ANGL. DEV. = -3.9 DEGREES REMARK 500 12 CYS A 35 CA - CB - SG ANGL. DEV. = 6.8 DEGREES REMARK 500 13 CYS A 17 CA - CB - SG ANGL. DEV. = 8.9 DEGREES REMARK 500 13 ARG A 24 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES REMARK 500 13 ARG A 29 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES REMARK 500 14 TYR A 23 CB - CG - CD2 ANGL. DEV. = -4.7 DEGREES REMARK 500 14 TYR A 23 CB - CG - CD1 ANGL. DEV. = 4.4 DEGREES REMARK 500 14 ARG A 24 NE - CZ - NH1 ANGL. DEV. = -3.4 DEGREES REMARK 500 14 ARG A 29 NE - CZ - NH2 ANGL. DEV. = -3.6 DEGREES REMARK 500 15 ARG A 24 NE - CZ - NH2 ANGL. DEV. = -5.2 DEGREES REMARK 500 15 ARG A 29 NE - CZ - NH1 ANGL. DEV. = -3.1 DEGREES REMARK 500 16 CYS A 12 CA - CB - SG ANGL. DEV. = 9.8 DEGREES REMARK 500 16 ARG A 24 NE - CZ - NH2 ANGL. DEV. = -3.4 DEGREES REMARK 500 16 ARG A 29 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES REMARK 500 16 CYS A 35 CA - CB - SG ANGL. DEV. = 6.9 DEGREES REMARK 500 17 ARG A 11 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES REMARK 500 17 ARG A 24 NE - CZ - NH1 ANGL. DEV. = -3.5 DEGREES REMARK 500 17 ARG A 29 NE - CZ - NH1 ANGL. DEV. = -3.4 DEGREES REMARK 500 18 ARG A 24 NE - CZ - NH2 ANGL. DEV. = -3.0 DEGREES REMARK 500 18 ARG A 29 NE - CZ - NH1 ANGL. DEV. = -3.0 DEGREES REMARK 500 19 CYS A 12 CA - CB - SG ANGL. DEV. = 7.6 DEGREES REMARK 500 20 CYS A 35 CA - CB - SG ANGL. DEV. = 6.8 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 1 PRO A 8 -137.92 -108.56 REMARK 500 1 LYS A 9 -32.12 -36.01 REMARK 500 1 ALA A 14 -30.44 -38.44 REMARK 500 1 SER A 26 -44.36 -150.76 REMARK 500 1 ARG A 29 2.19 -55.54 REMARK 500 1 THR A 31 -56.74 -166.68 REMARK 500 1 THR A 34 34.73 -143.50 REMARK 500 2 SER A 2 88.65 -153.07 REMARK 500 2 PRO A 8 -134.81 -108.21 REMARK 500 2 LYS A 9 -38.18 -38.62 REMARK 500 2 SER A 26 -48.52 -150.56 REMARK 500 2 ARG A 29 -6.49 -58.90 REMARK 500 2 THR A 31 -38.69 172.44 REMARK 500 3 CYS A 3 -169.71 -107.23 REMARK 500 3 PRO A 8 -126.85 -103.74 REMARK 500 3 ALA A 14 -35.08 -32.44 REMARK 500 3 SER A 26 -55.36 -148.60 REMARK 500 3 CYS A 28 45.93 -104.48 REMARK 500 3 THR A 31 -39.13 -170.69 REMARK 500 4 PRO A 8 -135.88 -106.15 REMARK 500 4 LYS A 9 -32.96 -36.82 REMARK 500 4 ALA A 14 -32.31 -36.60 REMARK 500 4 SER A 26 -51.56 -136.20 REMARK 500 4 ARG A 29 -15.15 -45.76 REMARK 500 4 THR A 31 -44.44 -169.58 REMARK 500 4 THR A 34 91.50 92.75 REMARK 500 5 PRO A 8 -139.02 -103.17 REMARK 500 5 LYS A 9 -39.65 -29.95 REMARK 500 5 ALA A 14 -30.72 -38.48 REMARK 500 5 THR A 31 -37.22 166.80 REMARK 500 5 THR A 34 90.10 111.13 REMARK 500 6 SER A 2 127.70 -172.33 REMARK 500 6 PRO A 8 -138.18 -105.60 REMARK 500 6 ALA A 14 -18.60 -48.76 REMARK 500 6 SER A 26 -53.73 -148.87 REMARK 500 6 CYS A 28 30.30 -89.70 REMARK 500 6 ARG A 29 -4.87 -52.89 REMARK 500 6 THR A 31 -45.88 178.42 REMARK 500 6 THR A 34 95.87 102.14 REMARK 500 7 PRO A 8 -127.05 -103.92 REMARK 500 7 ALA A 14 -36.37 -34.45 REMARK 500 7 SER A 26 -53.23 -150.13 REMARK 500 7 THR A 31 -38.90 -169.19 REMARK 500 7 THR A 34 45.42 39.47 REMARK 500 8 PRO A 8 -136.75 -104.97 REMARK 500 8 LYS A 9 -35.60 -32.33 REMARK 500 8 SER A 26 -66.75 -150.35 REMARK 500 8 ARG A 29 2.54 -57.82 REMARK 500 8 THR A 31 -54.15 -173.58 REMARK 500 8 THR A 34 39.99 -156.05 REMARK 500 REMARK 500 THIS ENTRY HAS 123 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 1 ARG A 1 0.29 SIDE CHAIN REMARK 500 1 ARG A 11 0.31 SIDE CHAIN REMARK 500 1 ARG A 24 0.31 SIDE CHAIN REMARK 500 1 ARG A 29 0.23 SIDE CHAIN REMARK 500 2 ARG A 1 0.29 SIDE CHAIN REMARK 500 2 ARG A 11 0.31 SIDE CHAIN REMARK 500 2 ARG A 24 0.30 SIDE CHAIN REMARK 500 2 ARG A 29 0.23 SIDE CHAIN REMARK 500 3 ARG A 1 0.30 SIDE CHAIN REMARK 500 3 ARG A 11 0.31 SIDE CHAIN REMARK 500 3 ARG A 24 0.15 SIDE CHAIN REMARK 500 3 ARG A 29 0.32 SIDE CHAIN REMARK 500 4 ARG A 1 0.31 SIDE CHAIN REMARK 500 4 ARG A 11 0.32 SIDE CHAIN REMARK 500 4 ARG A 24 0.15 SIDE CHAIN REMARK 500 4 ARG A 29 0.29 SIDE CHAIN REMARK 500 5 ARG A 1 0.26 SIDE CHAIN REMARK 500 5 ARG A 11 0.32 SIDE CHAIN REMARK 500 5 ARG A 24 0.27 SIDE CHAIN REMARK 500 5 ARG A 29 0.30 SIDE CHAIN REMARK 500 6 ARG A 1 0.24 SIDE CHAIN REMARK 500 6 ARG A 11 0.28 SIDE CHAIN REMARK 500 6 ARG A 24 0.31 SIDE CHAIN REMARK 500 6 ARG A 29 0.17 SIDE CHAIN REMARK 500 7 ARG A 1 0.28 SIDE CHAIN REMARK 500 7 ARG A 11 0.09 SIDE CHAIN REMARK 500 7 ARG A 24 0.12 SIDE CHAIN REMARK 500 7 ARG A 29 0.31 SIDE CHAIN REMARK 500 8 ARG A 1 0.31 SIDE CHAIN REMARK 500 8 ARG A 11 0.29 SIDE CHAIN REMARK 500 8 ARG A 24 0.29 SIDE CHAIN REMARK 500 8 ARG A 29 0.28 SIDE CHAIN REMARK 500 9 ARG A 1 0.27 SIDE CHAIN REMARK 500 9 ARG A 11 0.30 SIDE CHAIN REMARK 500 9 ARG A 24 0.17 SIDE CHAIN REMARK 500 9 ARG A 29 0.12 SIDE CHAIN REMARK 500 10 ARG A 1 0.30 SIDE CHAIN REMARK 500 10 ARG A 11 0.26 SIDE CHAIN REMARK 500 10 ARG A 24 0.14 SIDE CHAIN REMARK 500 10 ARG A 29 0.19 SIDE CHAIN REMARK 500 11 ARG A 1 0.31 SIDE CHAIN REMARK 500 11 ARG A 11 0.28 SIDE CHAIN REMARK 500 11 ARG A 24 0.30 SIDE CHAIN REMARK 500 11 ARG A 29 0.26 SIDE CHAIN REMARK 500 12 ARG A 1 0.30 SIDE CHAIN REMARK 500 12 ARG A 11 0.28 SIDE CHAIN REMARK 500 12 ARG A 24 0.25 SIDE CHAIN REMARK 500 12 ARG A 29 0.29 SIDE CHAIN REMARK 500 13 ARG A 1 0.30 SIDE CHAIN REMARK 500 13 ARG A 11 0.32 SIDE CHAIN REMARK 500 REMARK 500 THIS ENTRY HAS 80 PLANE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1ROO A 1 35 UNP P29187 TXSHK_STOHE 1 35 SEQRES 1 A 35 ARG SER CYS ILE ASP THR ILE PRO LYS SER ARG CYS THR SEQRES 2 A 35 ALA PHE GLN CYS LYS HIS SER MET LYS TYR ARG LEU SER SEQRES 3 A 35 PHE CYS ARG LYS THR CYS GLY THR CYS HELIX 1 1 LYS A 9 ARG A 11 5 3 HELIX 2 2 ALA A 14 HIS A 19 1 6 HELIX 3 3 MET A 21 LEU A 25 1 5 SSBOND 1 CYS A 3 CYS A 35 1555 1555 2.03 SSBOND 2 CYS A 12 CYS A 28 1555 1555 2.02 SSBOND 3 CYS A 17 CYS A 32 1555 1555 2.02 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1
Complete list - 29 20 Bytes