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contacts of atoms in frame of proteins VirE2-VirE1


The atoms located too close in space, can have problems with energy of pushing away. MDweb gives list of pairs atoms and the conforming distances which can have potential problems.
In frame of proteins VirE2-VirE1 following contacts between atoms are found:
Contacts of donors of pairs atoms:
(3.065 A) LYS A 189 NZ ^ GLN A 193 NE2 (2.886 A) LYS A 266 NZ ^ ASN A 270 ND2 (2.871 A) ARG A 367 NE ^ ASN A 460 ND2 (3.049 A) ASN A 486 ND2 ^ GLN A 490 NE2 Contacts of acceptors of pairs atoms:
(2.890 A) GLU A 186 OE1 ^ GLN A 190 OE1 (3.079 A) PHE A 278 O ^ ASP A 281 CG (2.865 A) GLU A 413 OE1 ^ GLY A 434 C (2.739 A) ASP A 457 O ^ ASN A 460 OD1
Contacts between not polar atoms:
(2.790 A) PHE A 128 CZ ^ LEU A 259 O (2.803 A) HIS A 138 CE1 ^ GLU A 144 OE1 (2.612 A) TYR A 152 OH ^ HIS A 203 CE1 (2.862 A) LEU A 171 CD1 ^ CYS A 191 SG (2.817 A) GLU A 186 O ^ GLN A 190 CG (2.696 A) TRP A 199 O ^ HIS A 203 CD2 (2.508 A) ARG A 277 CDS ^ PHE A 332 O
(2.737 A) HIS A 315 CD2 ^ ARG A 331 NH1
(2.729 A) GLN A 356 N ^ THR A 364 CG2
(2.840 A) GLN A 397 NE2 ^ TYR A 495 CD2
(2.696 A) SER A 476 CB ^ GLU A 502 OE1
(2.783 A) GLN A 477 O ^ VAL A 498 CG2
(2.824 A) ASN A 486 ND2 ^ GLN A 490 CG
Contacts between positively charged atoms:
(3.294 A) ARG A 113 NH1 ^ ARG A 153 NE (3.123 A) LYS A 127 NZ ^ LYS A 240 NZ (3.434 A) ARG A 355 NH1 ^ ARG A 449 NH1
The majority of interferences of pairs atoms descend because of strong inspissation albuminous globuly crystal frames and, naturally, are corrected at a stage of adjustment of system or MD equilibrations.
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A source: GUSEV Jury Sergeevich. FRAME And FUNCTIONS of PROTEIN VirE2 In TRANSMISSION otsdnk VEUKARIOTICHESSKY CAGES. 2014

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