REMARK 2 REMARK 2 RESOLUTION. 14.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 SOFTWARE PACKAGES : EMFIT REMARK 3 RECONSTRUCTION SCHEMA : PROJECTION MATCHING REMARK 3 REMARK 3 EM MAP-MODEL FITTING AND REFINEMENT REMARK 3 PDB ENTRY : 4GQ9 REMARK 3 REFINEMENT SPACE : REAL REMARK 3 REFINEMENT PROTOCOL : RIGID BODY REMARK 3 REFINEMENT TARGET : SUMF REMARK 3 OVERALL ANISOTROPIC B VALUE : NULL REMARK 3 REMARK 3 FITTING PROCEDURE : NULL REMARK 3 REMARK 3 EM IMAGE RECONSTRUCTION STATISTICS REMARK 3 NOMINAL PIXEL SIZE (ANGSTROMS) : NULL REMARK 3 ACTUAL PIXEL SIZE (ANGSTROMS) : 2.220 REMARK 3 EFFECTIVE RESOLUTION (ANGSTROMS) : 14.900 REMARK 3 NUMBER OF PARTICLES : 1820 REMARK 3 CTF CORRECTION METHOD : EACH MICROGRAPH REMARK 3 REMARK 3 EM RECONSTRUCTION MAGNIFICATION CALIBRATION: NULL REMARK 3 REMARK 3 OTHER DETAILS: (SINGLE PARTICLE DETAILS: THE PARTICLES WERE REMARK 3 SELECTED USING E2BOXER) (SINGLE PARTICLE--APPLIED SYMMETRY: I) REMARK 4 REMARK 4 3J2Y COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-FEB-13. REMARK 100 THE RCSB ID CODE IS RCSB160184. REMARK 245 REMARK 245 EXPERIMENTAL DETAILS REMARK 245 RECONSTRUCTION METHOD : SINGLE PARTICLE REMARK 245 SPECIMEN TYPE : VITREOUS ICE (CRYO EM) REMARK 245 REMARK 245 ELECTRON MICROSCOPE SAMPLE REMARK 245 SAMPLE TYPE : PARTICLE REMARK 245 PARTICLE TYPE : ICOSAHEDRAL REMARK 245 NAME OF SAMPLE : ELECTRON CRYO-MICROSCOPY OF REMARK 245 CHIKUNGUNYA VLP IN COMPLEX WITH REMARK 245 NEUTRALIZING ANTIBODY FAB 9.8B REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : 1.00 REMARK 245 SAMPLE SUPPORT DETAILS : 400 MESH C-FLAT GRIDS REMARK 245 SAMPLE VITRIFICATION DETAILS : BLOT FOR 2 SECONDS BEFORE REMARK 245 PLUNGING INTO LIQUID ETHANE REMARK 245 (GATAN CRYOPLUNGE 3) REMARK 245 SAMPLE BUFFER : PBS REMARK 245 PH : 7.40 REMARK 245 SAMPLE DETAILS : NULL REMARK 245 REMARK 245 DATA ACQUISITION REMARK 245 DATE OF EXPERIMENT : 01-FEB-11 REMARK 245 NUMBER OF MICROGRAPHS-IMAGES : 100 REMARK 245 TEMPERATURE (KELVIN) : NULL REMARK 245 MICROSCOPE MODEL : FEI/PHILIPS CM300FEG/HE REMARK 245 DETECTOR TYPE : NULL REMARK 245 MINIMUM DEFOCUS (NM) : NULL REMARK 245 MAXIMUM DEFOCUS (NM) : NULL REMARK 245 MINIMUM TILT ANGLE (DEGREES) : 0.00 REMARK 245 MAXIMUM TILT ANGLE (DEGREES) : 0.00 REMARK 245 NOMINAL CS : 2.00 REMARK 245 IMAGING MODE : BRIGHT FIELD REMARK 245 ELECTRON DOSE (ELECTRONS NM**-2) : 20.00 REMARK 245 ILLUMINATION MODE : FLOOD BEAM REMARK 245 NOMINAL MAGNIFICATION : 38000 REMARK 245 CALIBRATED MAGNIFICATION : 39190 REMARK 245 SOURCE : FIELD EMISSION GUN REMARK 245 ACCELERATION VOLTAGE (KV) : 300 REMARK 245 IMAGING DETAILS : NULL REMARK 247 REMARK 247 ELECTRON MICROSCOPY REMARK 247 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM ELECTRON REMARK 247 MICROSCOPY DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE REMARK 247 THAT CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES REMARK 247 ON THESE RECORDS ARE MEANINGLESS EXCEPT FOR THE CALCULATION REMARK 247 OF THE STRUCTURE FACTORS. REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL 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 300 THE ASSEMBLY REPRESENTED IN THIS ENTRY HAS REGULAR REMARK 300 ICOSAHEDRAL POINT SYMMETRY (SCHOENFLIES SYMBOL = I). 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 APPLY THE FOLLOWING TO CHAINS: A, C, E, G, B, D, F, H 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 350 BIOMT1 2 0.500000 -0.809017 0.309017 0.00000 REMARK 350 BIOMT2 2 0.809017 0.309017 -0.500000 0.00000 REMARK 350 BIOMT3 2 0.309017 0.500000 0.809017 0.00000 REMARK 350 BIOMT1 3 -0.309017 -0.500000 0.809017 0.00000 REMARK 350 BIOMT2 3 0.500000 -0.809017 -0.309017 0.00000 REMARK 350 BIOMT3 3 0.809017 0.309017 0.500000 0.00000 REMARK 350 BIOMT1 4 -0.309017 0.500000 0.809017 0.00000 REMARK 350 BIOMT2 4 -0.500000 -0.809017 0.309017 0.00000 REMARK 350 BIOMT3 4 0.809017 -0.309017 0.500000 0.00000 REMARK 350 BIOMT1 5 0.500000 0.809017 0.309017 0.00000 REMARK 350 BIOMT2 5 -0.809017 0.309017 0.500000 0.00000 REMARK 350 BIOMT3 5 0.309017 -0.500000 0.809017 0.00000 REMARK 350 BIOMT1 6 -0.809017 0.309017 0.500000 0.00000 REMARK 350 BIOMT2 6 0.309017 -0.500000 0.809017 0.00000 REMARK 350 BIOMT3 6 0.500000 0.809017 0.309017 0.00000 REMARK 350 BIOMT1 7 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 7 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT3 7 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 8 0.809017 0.309017 -0.500000 0.00000 REMARK 350 BIOMT2 8 0.309017 0.500000 0.809017 0.00000 REMARK 350 BIOMT3 8 0.500000 -0.809017 0.309017 0.00000 REMARK 350 BIOMT1 9 0.500000 -0.809017 -0.309017 0.00000 REMARK 350 BIOMT2 9 0.809017 0.309017 0.500000 0.00000 REMARK 350 BIOMT3 9 -0.309017 -0.500000 0.809017 0.00000 REMARK 350 BIOMT1 10 -0.500000 -0.809017 0.309017 0.00000 REMARK 350 BIOMT2 10 0.809017 -0.309017 0.500000 0.00000 REMARK 350 BIOMT3 10 -0.309017 0.500000 0.809017 0.00000 REMARK 350 BIOMT1 11 -0.500000 -0.809017 0.309017 0.00000 REMARK 350 BIOMT2 11 -0.809017 0.309017 -0.500000 0.00000 REMARK 350 BIOMT3 11 0.309017 -0.500000 -0.809017 0.00000 REMARK 350 BIOMT1 12 -0.809017 0.309017 0.500000 0.00000 REMARK 350 BIOMT2 12 -0.309017 0.500000 -0.809017 0.00000 REMARK 350 BIOMT3 12 -0.500000 -0.809017 -0.309017 0.00000 REMARK 350 BIOMT1 13 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 13 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT3 13 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 14 0.809017 0.309017 -0.500000 0.00000 REMARK 350 BIOMT2 14 -0.309017 -0.500000 -0.809017 0.00000 REMARK 350 BIOMT3 14 -0.500000 0.809017 -0.309017 0.00000 REMARK 350 BIOMT1 15 0.500000 -0.809017 -0.309017 0.00000 REMARK 350 BIOMT2 15 -0.809017 -0.309017 -0.500000 0.00000 REMARK 350 BIOMT3 15 0.309017 0.500000 -0.809017 0.00000 REMARK 350 BIOMT1 16 0.309017 0.500000 -0.809017 0.00000 REMARK 350 BIOMT2 16 0.500000 -0.809017 -0.309017 0.00000 REMARK 350 BIOMT3 16 -0.809017 -0.309017 -0.500000 0.00000 REMARK 350 BIOMT1 17 0.309017 -0.500000 -0.809017 0.00000 REMARK 350 BIOMT2 17 -0.500000 -0.809017 0.309017 0.00000 REMARK 350 BIOMT3 17 -0.809017 0.309017 -0.500000 0.00000 REMARK 350 BIOMT1 18 -0.500000 -0.809017 -0.309017 0.00000 REMARK 350 BIOMT2 18 -0.809017 0.309017 0.500000 0.00000 REMARK 350 BIOMT3 18 -0.309017 0.500000 -0.809017 0.00000 REMARK 350 BIOMT1 19 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 19 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 19 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT1 20 -0.500000 0.809017 -0.309017 0.00000 REMARK 350 BIOMT2 20 0.809017 0.309017 -0.500000 0.00000 REMARK 350 BIOMT3 20 -0.309017 -0.500000 -0.809017 0.00000 REMARK 350 BIOMT1 21 -0.500000 -0.809017 -0.309017 0.00000 REMARK 350 BIOMT2 21 0.809017 -0.309017 -0.500000 0.00000 REMARK 350 BIOMT3 21 0.309017 -0.500000 0.809017 0.00000 REMARK 350 BIOMT1 22 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 22 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT3 22 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 23 -0.500000 0.809017 -0.309017 0.00000 REMARK 350 BIOMT2 23 -0.809017 -0.309017 0.500000 0.00000 REMARK 350 BIOMT3 23 0.309017 0.500000 0.809017 0.00000 REMARK 350 BIOMT1 24 0.309017 0.500000 -0.809017 0.00000 REMARK 350 BIOMT2 24 -0.500000 0.809017 0.309017 0.00000 REMARK 350 BIOMT3 24 0.809017 0.309017 0.500000 0.00000 REMARK 350 BIOMT1 25 0.309017 -0.500000 -0.809017 0.00000 REMARK 350 BIOMT2 25 0.500000 0.809017 -0.309017 0.00000 REMARK 350 BIOMT3 25 0.809017 -0.309017 0.500000 0.00000 REMARK 350 BIOMT1 26 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT2 26 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 26 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT1 27 -0.309017 -0.500000 -0.809017 0.00000 REMARK 350 BIOMT2 27 -0.500000 0.809017 -0.309017 0.00000 REMARK 350 BIOMT3 27 0.809017 0.309017 -0.500000 0.00000 REMARK 350 BIOMT1 28 -0.809017 -0.309017 -0.500000 0.00000 REMARK 350 BIOMT2 28 0.309017 0.500000 -0.809017 0.00000 REMARK 350 BIOMT3 28 0.500000 -0.809017 -0.309017 0.00000 REMARK 350 BIOMT1 29 -0.809017 0.309017 -0.500000 0.00000 REMARK 350 BIOMT2 29 0.309017 -0.500000 -0.809017 0.00000 REMARK 350 BIOMT3 29 -0.500000 -0.809017 0.309017 0.00000 REMARK 350 BIOMT1 30 -0.309017 0.500000 -0.809017 0.00000 REMARK 350 BIOMT2 30 -0.500000 -0.809017 -0.309017 0.00000 REMARK 350 BIOMT3 30 -0.809017 0.309017 0.500000 0.00000 REMARK 350 BIOMT1 31 0.809017 0.309017 0.500000 0.00000 REMARK 350 BIOMT2 31 -0.309017 -0.500000 0.809017 0.00000 REMARK 350 BIOMT3 31 0.500000 -0.809017 -0.309017 0.00000 REMARK 350 BIOMT1 32 0.809017 -0.309017 0.500000 0.00000 REMARK 350 BIOMT2 32 -0.309017 0.500000 0.809017 0.00000 REMARK 350 BIOMT3 32 -0.500000 -0.809017 0.309017 0.00000 REMARK 350 BIOMT1 33 0.309017 -0.500000 0.809017 0.00000 REMARK 350 BIOMT2 33 0.500000 0.809017 0.309017 0.00000 REMARK 350 BIOMT3 33 -0.809017 0.309017 0.500000 0.00000 REMARK 350 BIOMT1 34 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT2 34 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 34 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT1 35 0.309017 0.500000 0.809017 0.00000 REMARK 350 BIOMT2 35 0.500000 -0.809017 0.309017 0.00000 REMARK 350 BIOMT3 35 0.809017 0.309017 -0.500000 0.00000 REMARK 350 BIOMT1 36 -0.309017 0.500000 0.809017 0.00000 REMARK 350 BIOMT2 36 0.500000 0.809017 -0.309017 0.00000 REMARK 350 BIOMT3 36 -0.809017 0.309017 -0.500000 0.00000 REMARK 350 BIOMT1 37 0.500000 0.809017 0.309017 0.00000 REMARK 350 BIOMT2 37 0.809017 -0.309017 -0.500000 0.00000 REMARK 350 BIOMT3 37 -0.309017 0.500000 -0.809017 0.00000 REMARK 350 BIOMT1 38 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 38 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT3 38 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT1 39 0.500000 -0.809017 0.309017 0.00000 REMARK 350 BIOMT2 39 -0.809017 -0.309017 0.500000 0.00000 REMARK 350 BIOMT3 39 -0.309017 -0.500000 -0.809017 0.00000 REMARK 350 BIOMT1 40 -0.309017 -0.500000 0.809017 0.00000 REMARK 350 BIOMT2 40 -0.500000 0.809017 0.309017 0.00000 REMARK 350 BIOMT3 40 -0.809017 -0.309017 -0.500000 0.00000 REMARK 350 BIOMT1 41 -0.500000 0.809017 0.309017 0.00000 REMARK 350 BIOMT2 41 -0.809017 -0.309017 -0.500000 0.00000 REMARK 350 BIOMT3 41 -0.309017 -0.500000 0.809017 0.00000 REMARK 350 BIOMT1 42 0.500000 0.809017 -0.309017 0.00000 REMARK 350 BIOMT2 42 -0.809017 0.309017 -0.500000 0.00000 REMARK 350 BIOMT3 42 -0.309017 0.500000 0.809017 0.00000 REMARK 350 BIOMT1 43 0.809017 -0.309017 -0.500000 0.00000 REMARK 350 BIOMT2 43 -0.309017 0.500000 -0.809017 0.00000 REMARK 350 BIOMT3 43 0.500000 0.809017 0.309017 0.00000 REMARK 350 BIOMT1 44 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT2 44 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT3 44 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 45 -0.809017 -0.309017 0.500000 0.00000 REMARK 350 BIOMT2 45 -0.309017 -0.500000 -0.809017 0.00000 REMARK 350 BIOMT3 45 0.500000 -0.809017 0.309017 0.00000 REMARK 350 BIOMT1 46 0.809017 -0.309017 0.500000 0.00000 REMARK 350 BIOMT2 46 0.309017 -0.500000 -0.809017 0.00000 REMARK 350 BIOMT3 46 0.500000 0.809017 -0.309017 0.00000 REMARK 350 BIOMT1 47 0.309017 -0.500000 0.809017 0.00000 REMARK 350 BIOMT2 47 -0.500000 -0.809017 -0.309017 0.00000 REMARK 350 BIOMT3 47 0.809017 -0.309017 -0.500000 0.00000 REMARK 350 BIOMT1 48 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT2 48 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 48 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT1 49 0.309017 0.500000 0.809017 0.00000 REMARK 350 BIOMT2 49 -0.500000 0.809017 -0.309017 0.00000 REMARK 350 BIOMT3 49 -0.809017 -0.309017 0.500000 0.00000 REMARK 350 BIOMT1 50 0.809017 0.309017 0.500000 0.00000 REMARK 350 BIOMT2 50 0.309017 0.500000 -0.809017 0.00000 REMARK 350 BIOMT3 50 -0.500000 0.809017 0.309017 0.00000 REMARK 350 BIOMT1 51 -0.309017 0.500000 -0.809017 0.00000 REMARK 350 BIOMT2 51 0.500000 0.809017 0.309017 0.00000 REMARK 350 BIOMT3 51 0.809017 -0.309017 -0.500000 0.00000 REMARK 350 BIOMT1 52 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT2 52 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 52 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT1 53 -0.309017 -0.500000 -0.809017 0.00000 REMARK 350 BIOMT2 53 0.500000 -0.809017 0.309017 0.00000 REMARK 350 BIOMT3 53 -0.809017 -0.309017 0.500000 0.00000 REMARK 350 BIOMT1 54 -0.809017 -0.309017 -0.500000 0.00000 REMARK 350 BIOMT2 54 -0.309017 -0.500000 0.809017 0.00000 REMARK 350 BIOMT3 54 -0.500000 0.809017 0.309017 0.00000 REMARK 350 BIOMT1 55 -0.809017 0.309017 -0.500000 0.00000 REMARK 350 BIOMT2 55 -0.309017 0.500000 0.809017 0.00000 REMARK 350 BIOMT3 55 0.500000 0.809017 -0.309017 0.00000 REMARK 350 BIOMT1 56 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT2 56 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT3 56 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 57 -0.809017 -0.309017 0.500000 0.00000 REMARK 350 BIOMT2 57 0.309017 0.500000 0.809017 0.00000 REMARK 350 BIOMT3 57 -0.500000 0.809017 -0.309017 0.00000 REMARK 350 BIOMT1 58 -0.500000 0.809017 0.309017 0.00000 REMARK 350 BIOMT2 58 0.809017 0.309017 0.500000 0.00000 REMARK 350 BIOMT3 58 0.309017 0.500000 -0.809017 0.00000 REMARK 350 BIOMT1 59 0.500000 0.809017 -0.309017 0.00000 REMARK 350 BIOMT2 59 0.809017 -0.309017 0.500000 0.00000 REMARK 350 BIOMT3 59 0.309017 -0.500000 -0.809017 0.00000 REMARK 350 BIOMT1 60 0.809017 -0.309017 -0.500000 0.00000 REMARK 350 BIOMT2 60 0.309017 -0.500000 0.809017 0.00000 REMARK 350 BIOMT3 60 -0.500000 -0.809017 -0.309017 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OE2 GLU A 104 OH TYR A 172 1.50 REMARK 500 OE2 GLU G 3104 OH TYR G 3172 1.50 REMARK 500 OE2 GLU E 2104 OH TYR E 2172 1.50 REMARK 500 OE2 GLU C 1104 OH TYR C 1172 1.50 REMARK 500 OH TYR G 3033 NH1 ARG G 3090 1.58 REMARK 500 OH TYR E 2033 NH1 ARG E 2090 1.58 REMARK 500 OH TYR A 33 NH1 ARG A 90 1.58 REMARK 500 OH TYR C 1033 NH1 ARG C 1090 1.58 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 LEU A 46 -63.40 -101.32 REMARK 500 THR A 50 -43.41 71.96 REMARK 500 SER A 51 -36.06 -132.11 REMARK 500 ARG A 60 -22.41 -165.26 REMARK 500 ALA A 82 94.73 -62.61 REMARK 500 ARG A 90 -141.09 -146.48 REMARK 500 THR A 91 19.74 50.64 REMARK 500 TYR A 93 99.94 15.81 REMARK 500 LEU A 95 58.64 75.30 REMARK 500 ASP A 109 122.86 -26.35 REMARK 500 ASN A 137 86.88 55.33 REMARK 500 ASP A 150 16.82 57.45 REMARK 500 LEU C1046 -63.36 -101.34 REMARK 500 THR C1050 -43.40 71.94 REMARK 500 SER C1051 -36.03 -132.08 REMARK 500 ARG C1060 -22.34 -165.30 REMARK 500 ALA C1082 94.80 -62.64 REMARK 500 ARG C1090 -141.09 -146.47 REMARK 500 THR C1091 19.73 50.67 REMARK 500 TYR C1093 99.97 15.75 REMARK 500 LEU C1095 58.61 75.36 REMARK 500 ASP C1109 122.89 -26.32 REMARK 500 ASN C1137 86.94 55.33 REMARK 500 ASP C1150 16.74 57.56 REMARK 500 LEU E2046 -63.26 -101.35 REMARK 500 THR E2050 -43.38 71.88 REMARK 500 SER E2051 -36.04 -132.11 REMARK 500 ARG E2060 -22.43 -165.28 REMARK 500 ALA E2082 94.73 -62.58 REMARK 500 ARG E2090 -141.13 -146.50 REMARK 500 THR E2091 19.68 50.74 REMARK 500 TYR E2093 99.94 15.81 REMARK 500 LEU E2095 58.69 75.29 REMARK 500 ASP E2109 122.86 -26.46 REMARK 500 ASN E2137 86.85 55.36 REMARK 500 ASP E2150 16.86 57.48 REMARK 500 LEU G3046 -63.34 -101.31 REMARK 500 THR G3050 -43.36 71.87 REMARK 500 SER G3051 -36.08 -132.08 REMARK 500 ARG G3060 -22.37 -165.28 REMARK 500 ALA G3082 94.74 -62.63 REMARK 500 ARG G3090 -141.12 -146.51 REMARK 500 THR G3091 19.65 50.75 REMARK 500 TYR G3093 99.99 15.73 REMARK 500 LEU G3095 58.57 75.29 REMARK 500 ASP G3109 122.90 -26.39 REMARK 500 ASN G3137 86.91 55.35 REMARK 500 ASP G3150 16.81 57.42 REMARK 500 PRO B 41 -72.28 -42.43 REMARK 500 GLN B 43 -11.52 -152.43 REMARK 500 REMARK 500 THIS ENTRY HAS 112 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE REMARK 500 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,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 SER B 76 24.0 L L OUTSIDE RANGE REMARK 500 SER D1076 24.0 L L OUTSIDE RANGE REMARK 500 SER F2076 24.0 L L OUTSIDE RANGE REMARK 500 SER H3076 24.0 L L OUTSIDE RANGE REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: EMD-5578 RELATED DB: EMDB REMARK 900 RELATED ID: 4GQ9 RELATED DB: PDB REMARK 900 RELATED ID: 3J2W RELATED DB: PDB REMARK 900 RELATED ID: 3J2X RELATED DB: PDB REMARK 900 RELATED ID: 3J2Z RELATED DB: PDB REMARK 900 RELATED ID: 3J30 RELATED DB: PDB