3PKQ

q83d variant of s. enterica rmla with dgtp

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 150
  • Norm. En. per Res.: -2.7326
• Hub Node: A(3)

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	-35.9117	-3.7168	-360.347	-399.9755	149	13	13	16597	0	18	30
A-C	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	0	1
A-D	-26.6551	-17.2586	-163.225	-207.1387	87	14	0	7893	0	24	36
B-C	-27.1339	-34.8002	-193.081	-255.0151	96	21	0	8873	1	27	40
B-D	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	1
C-D	-39.8702	-1.8223	-368.198	-409.8906	150	12	15	16737	2	17	29

Interface residues

• A-B: ALA236A, ALA236B, ALA23A, ALA23B, ALA241A, ALA241B, ARG16A, ARG16B, ARG246A, ARG246B, ARG63A, ARG63B, ASN238A, ASN238B, ASN279A, ASN279B, ASP280A, ASP280B, ASP33A, ASP33B, ASP60A, ASP60B, CYS253A, CYS253B, GLN231A, GLN231B, GLN27A, GLN27B, GLN59A, GLN59B, GLN65A, GLN65B, GLN66A, GLN66B, GLN73A, GLN73B, GLU235A, GLU235B, GLU244A, GLU244B, GLU245A, GLU245B, GLU255A, GLU255B, GLY14A, GLY14B, GLY228A, GLY228B, GLY274A, GLY274B, GLY282A, GLY282B, GLY69A, GLY69B, HIS230A, HIS230B, ILE234A, ILE234B, ILE240A, ILE240B, ILE31A, ILE31B, LEU17A, LEU17B, LEU233A, LEU233B, LEU272A, LEU272B, LEU276A, LEU276B, LEU285A, LEU285B, LEU28A, LEU28B, LEU29A, LEU29B, LEU67A, LEU67B, LEU68A, LEU68B, LYS250A, LYS250B, LYS26A, LYS26B, LYS278A, LYS278B, LYS283A, LYS283B, LYS34A, LYS34B, MET22A, MET22B, MET36A, MET36B, PHE239A, PHE239B, PHE64A, PHE64B, PRO19A, PRO19B, PRO254A, PRO254B, PRO275A, PRO275B, PRO30A, PRO30B, PRO35A, PRO35B, PRO58A, PRO58B, PRO62A, PRO62B, SER13A, SER13B, SER232A, SER232B, SER237A, SER237B, SER25A, SER25B, SER277A, SER277B, THR15A, THR15B, THR21A, THR21B, THR229A, THR229B, THR242A, THR242B, THR57B, THR61A, THR61B, TRP74A, TRP74B, TYR18A, TYR18B, TYR281A, TYR281B, TYR32A, TYR32B, TYR38A, TYR38B, TYR39A, TYR39B, VAL20A, VAL20B, VAL24A, VAL24B
• A-C: ASN238A, ASN238C
• A-D: ALA223A, ALA223D, ALA236A, ALA236D, ALA241A, ALA241D, ARG220A, ARG220D, ARG246A, ARG246D, ARG260A, ARG260D, ASN141A, ASN141D, ASN170A, ASN170D, ASN238A, ASN238D, ASP118A, ASP118D, ASP226A, ASP226D, ASP280A, ASP280D, GLN231A, GLN231D, GLN247A, GLN247D, GLU235A, GLU235D, GLU244A, GLU244D, GLU245A, GLU245D, GLU256A, GLU256D, GLY116A, GLY116D, GLY219A, GLY219D, GLY221A, GLY221D, GLY248A, GLY248D, HIS117A, HIS117D, HIS139A, HIS139D, ILE113A, ILE240A, ILE240D, ILE243A, ILE243D, ILE257D, LEU225A, LEU225D, LEU249A, LEU249D, LYS250A, LYS250D, LYS287A, LYS287D, LYS290A, LYS290D, MET288A, MET288D, PHE239A, PHE239D, SER232A, SER232D, SER237A, THR242A, THR242D, TRP224A, TRP224D, TYR115A, TYR115D, TYR138A, TYR138D, TYR171A, TYR222A, TYR222D, TYR284A, TYR284D, VAL140D, VAL251A, VAL251D
• B-C: ALA223B, ALA223C, ALA236B, ALA236C, ALA241B, ALA241C, ARG220B, ARG220C, ARG246B, ARG246C, ARG260B, ARG260C, ASN141B, ASN141C, ASN170C, ASN238B, ASN238C, ASP118B, ASP118C, ASP226B, ASP226C, ASP280B, ASP280C, GLN231B, GLN231C, GLN247B, GLN247C, GLU235B, GLU235C, GLU244B, GLU244C, GLU245B, GLU245C, GLU256B, GLU256C, GLY116B, GLY116C, GLY219B, GLY219C, GLY221B, GLY221C, GLY248B, GLY248C, HIS117B, HIS117C, HIS139B, HIS139C, ILE113C, ILE234B, ILE234C, ILE240B, ILE240C, ILE243B, ILE243C, ILE257B, ILE257C, LEU225B, LEU225C, LEU249B, LEU249C, LEU46B, LYS121B, LYS121C, LYS250B, LYS250C, LYS287B, LYS287C, LYS290B, LYS290C, MET288B, MET288C, PHE239B, PHE239C, PRO143C, SER232B, SER232C, SER237B, SER237C, THR242B, THR242C, TRP224B, TRP224C, TYR115B, TYR115C, TYR138B, TYR138C, TYR171B, TYR171C, TYR222B, TYR222C, TYR284B, TYR284C, VAL140B, VAL140C, VAL251B, VAL251C
• B-D: ASN238B, ASN238D
• C-D: ALA236C, ALA236D, ALA23C, ALA23D, ALA241C, ALA241D, ARG16C, ARG16D, ARG246C, ARG246D, ARG63C, ARG63D, ASN238C, ASN238D, ASN279C, ASN279D, ASP280C, ASP280D, ASP33C, ASP33D, ASP60C, ASP60D, CYS253C, CYS253D, GLN231C, GLN231D, GLN27C, GLN27D, GLN59C, GLN59D, GLN65C, GLN65D, GLN66C, GLN66D, GLN73C, GLN73D, GLU235C, GLU235D, GLU244C, GLU245C, GLU245D, GLU255C, GLU255D, GLY14C, GLY14D, GLY228C, GLY228D, GLY274C, GLY274D, GLY282C, GLY282D, GLY69C, GLY69D, HIS230C, HIS230D, ILE234C, ILE234D, ILE240C, ILE240D, ILE31C, ILE31D, ILE37C, LEU17C, LEU17D, LEU233C, LEU233D, LEU272C, LEU272D, LEU276C, LEU276D, LEU285C, LEU285D, LEU28C, LEU28D, LEU29C, LEU29D, LEU67C, LEU67D, LEU68C, LEU68D, LYS250C, LYS250D, LYS26C, LYS26D, LYS278C, LYS278D, LYS283C, LYS283D, LYS34C, LYS34D, MET22C, MET22D, MET36C, MET36D, PHE239C, PHE239D, PHE64C, PHE64D, PRO19C, PRO19D, PRO254C, PRO254D, PRO275C, PRO275D, PRO30C, PRO30D, PRO35C, PRO35D, PRO58C, PRO58D, PRO62C, PRO62D, SER13C, SER13D, SER232C, SER232D, SER237C, SER237D, SER25C, SER25D, SER277C, SER277D, THR15C, THR15D, THR21C, THR21D, THR229C, THR229D, THR242C, THR242D, THR57C, THR57D, THR61C, THR61D, TRP74C, TRP74D, TYR18C, TYR18D, TYR281C, TYR281D, TYR32C, TYR32D, TYR38C, TYR38D, TYR39C, TYR39D, VAL20C, VAL20D, VAL24C, VAL24D