3QQW

crystal structure of a hypothetical lyase (reut_b4148) from ralstonia eutropha jmp134 at 2.44 a resolution

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 75
  • Norm. En. per Res.: -3.225
• Hub Node: A(4)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-13.828	-28.7277	-152.952	-195.5077	76	8	8	6658	1	27	29
A-C	-31.7877	-15.567	-160.357	-207.7118	72	3	8	6668	1	25	24
A-D	0.0	-13.4658	-25.0501	-38.5159	33	7	1	1595	0	11	7
A-F	0.0	13.3386	-38.755	-25.4164	37	1	0	1894	0	26	26
B-C	-21.2108	-31.5141	-175.13	-227.8549	76	4	8	6829	2	27	25
B-D	0.0	0.0	-0.3678	-0.3678	9	0	0	61	0	1	1
D-E	-31.0677	-14.2485	-150.004	-195.3202	71	4	9	6422	1	26	22
D-F	-13.9347	-31.2472	-148.923	-194.105	73	7	9	6438	1	22	23
E-F	-30.4606	-31.5265	-179.891	-241.8781	75	3	8	7145	2	27	26

Interface residues

• A-B: ALA164B, ALA186A, ALA189A, ALA190A, ALA191A, ALA201A, ALA206A, ALA206B, ALA208B, ALA212B, ALA213B, ALA214B, ALA216B, ALA242B, ARG158A, ARG205A, ARG205B, ARG241B, ARG243B, ARG304B, ASN217B, ASN244B, ASP159A, ASP209A, ASP209B, CYS240B, GLN162B, GLU15B, GLU165B, GLU199A, GLU245B, GLU272B, GLU308B, GLY155A, GLY182A, GLY185A, GLY218B, GLY247B, HIS154A, HIS183A, HIS184A, HIS200A, ILE187A, ILE219B, LEU157A, LEU157B, LEU202A, LEU203A, LEU215B, LEU249B, LYS16B, LYS207B, LYS312B, PHE161B, PHE179A, PHE18B, PHE198B, PHE246B, PHE248B, PRO188A, PRO19B, PRO221B, PRO268B, SER17B, SER181A, THR120A, THR153A, TYR305B, VAL160B, VAL180A, VAL204A, VAL204B, VAL20B, VAL211B, VAL220B, VAL309B
• A-C: ALA186C, ALA189C, ALA190C, ALA191C, ALA201C, ALA206A, ALA206C, ALA208A, ALA212A, ALA213A, ALA214A, ALA216A, ALA242A, ARG158C, ARG205A, ARG205C, ARG241A, ARG243A, ARG304A, ASN217A, ASN244A, ASP209A, ASP209C, CYS240A, GLU165A, GLU199C, GLU245A, GLU272A, GLU308A, GLY155C, GLY182C, GLY185C, GLY196C, GLY218A, GLY247A, HIS154C, HIS183C, HIS184C, HIS200C, ILE187C, ILE219A, LEU157A, LEU157C, LEU202C, LEU203A, LEU203C, LEU215A, LEU249A, LYS16A, LYS207A, LYS312A, PHE161A, PHE179C, PHE18A, PHE198A, PHE246A, PHE248A, PRO188C, PRO19A, PRO221A, SER17A, SER181C, THR153C, THR302A, TYR305A, VAL160A, VAL180C, VAL204A, VAL204C, VAL211A, VAL220A, VAL309A
• A-D: ALA189D, ALA190D, ALA58A, ALA59A, ALA60A, ALA67A, ARG193D, ARG64A, ARG72A, ASN228D, ASP231D, ASP238D, CYS226D, GLN197D, GLN62A, GLU199D, GLU233D, GLU31A, GLU63A, GLU65A, GLU68A, GLY196D, GLY57A, GLY61A, HIS66A, ILE235D, LEU227D, PRO188D, PRO195D, SER194D, SER237D, SER30A, VAL234D
• A-F: ALA232F, ALA236F, ALA265F, ARG241F, ARG243F, ARG72A, ARG78A, ASN228F, ASN244F, ASN264F, ASP231F, ASP238F, ASP269F, ASP39A, ASP77A, CYS240F, GLN41A, GLU199F, GLU233F, GLU245F, GLU31A, GLU43A, GLY35A, LEU33A, LEU40A, LYS32A, LYS36A, PHE198F, PHE246F, PHE270F, PRO195F, SER237F, THR271F, TYR255A, VAL234F, VAL42A, VAL80A
• B-C: ALA186B, ALA189B, ALA190B, ALA191B, ALA201B, ALA206B, ALA206C, ALA208C, ALA212C, ALA213C, ALA214C, ALA216C, ALA242C, ARG158B, ARG158C, ARG205B, ARG205C, ARG241C, ARG243C, ARG304C, ASN217C, ASN244C, ASP159C, ASP209B, ASP209C, CYS240C, GLN162C, GLU15C, GLU165C, GLU199B, GLU245C, GLU272C, GLU308C, GLY155B, GLY182B, GLY185B, GLY196B, GLY218C, GLY247C, HIS154B, HIS183B, HIS184B, HIS200B, ILE163C, ILE187B, ILE219C, LEU157B, LEU157C, LEU202B, LEU203B, LEU215C, LEU249C, LYS16C, LYS207C, LYS312C, PHE161C, PHE179B, PHE18C, PHE198C, PHE246C, PHE248C, PRO188B, PRO19C, PRO221C, SER17C, SER181B, THR153B, THR302C, TYR305C, VAL160C, VAL180B, VAL204B, VAL204C, VAL211C, VAL220C, VAL309C
• B-D: ALA282B, ASN264D, ASP269D, GLU233D, GLY278B, PHE270D, THR271D, TYR303B, VAL281B
• D-E: ALA186E, ALA189E, ALA190E, ALA191E, ALA201E, ALA206D, ALA206E, ALA208D, ALA212D, ALA213D, ALA214D, ALA216D, ALA242D, ARG158E, ARG205D, ARG205E, ARG241D, ARG243D, ARG304D, ASN217D, ASN244D, ASP209D, ASP209E, CYS240D, GLU165D, GLU199D, GLU199E, GLU245D, GLU272D, GLU308D, GLY155E, GLY182E, GLY185E, GLY196E, GLY218D, GLY247D, HIS154E, HIS183E, HIS184E, HIS200E, ILE187E, ILE219D, LEU157D, LEU157E, LEU202E, LEU203D, LEU203E, LEU215D, LEU249D, LYS207D, LYS312D, PHE161D, PHE179E, PHE198D, PHE246D, PHE248D, PRO188E, PRO19D, PRO221D, SER181E, THR153E, THR302D, TYR305D, VAL160D, VAL180E, VAL204D, VAL204E, VAL20D, VAL211D, VAL220D, VAL309D
• D-F: ALA164F, ALA186D, ALA189D, ALA190D, ALA191D, ALA201D, ALA206D, ALA206F, ALA208F, ALA212F, ALA213F, ALA214F, ALA216F, ALA242F, ARG158D, ARG205D, ARG205F, ARG241F, ARG243F, ARG304F, ASN217F, ASN244F, ASP159D, ASP209D, ASP209F, CYS240F, GLN162F, GLU165F, GLU199D, GLU245F, GLU272F, GLU308F, GLY155D, GLY182D, GLY185D, GLY218F, GLY247F, HIS154D, HIS183D, HIS184D, HIS200D, ILE187D, ILE219F, LEU157D, LEU157F, LEU202D, LEU203D, LEU203F, LEU215F, LEU249F, LYS207F, LYS312F, PHE161F, PHE179D, PHE18F, PHE198F, PHE246F, PHE248F, PRO188D, PRO19F, PRO221F, SER17F, SER181D, THR153D, THR302F, TYR305F, VAL160F, VAL180D, VAL204D, VAL204F, VAL211F, VAL220F, VAL309F
• E-F: ALA186F, ALA189F, ALA190F, ALA191F, ALA201F, ALA206E, ALA206F, ALA208E, ALA212E, ALA213E, ALA214E, ALA216E, ALA242E, ARG158E, ARG158F, ARG205E, ARG205F, ARG241E, ARG243E, ARG304E, ASN217E, ASN244E, ASP159E, ASP209E, ASP209F, GLN162E, GLU15E, GLU165E, GLU199F, GLU245E, GLU272E, GLU308E, GLY155F, GLY182F, GLY185F, GLY196F, GLY218E, GLY247E, HIS154F, HIS183F, HIS184F, HIS200F, ILE163E, ILE187F, ILE219E, LEU157E, LEU157F, LEU202F, LEU203F, LEU215E, LEU249E, LYS16E, LYS207E, LYS312E, PHE161E, PHE179F, PHE18E, PHE198E, PHE246E, PHE248E, PRO188F, PRO19E, PRO221E, SER17E, SER181F, THR153F, THR302E, TYR305E, VAL160E, VAL180F, VAL204E, VAL204F, VAL211E, VAL220E, VAL309E