3PKP

q83s variant of s. enterica rmla with datp

• Total interactions analyzed: 28
• Total true interactions: 19
• Strongest Interaction:
  • Chains: A-J
  • Int. Res.: 44
  • Norm. En. per Res.: -3.1132
• Hub Node: A(6)

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	-40.8505	0.2068	-369.128	-409.7717	148	8	13	16365	4	20	26
A-C	-31.0319	2.0928	-209.079	-238.018	99	14	0	8746	3	28	39
A-D	0.0	0.0	-0.0005	-0.0005	2	0	0	1	0	0	1
A-I	-6.6709	-10.928	-42.1217	-59.7206	33	0	2	1689	0	6	9
A-J	-15.7184	-30.8255	-90.435	-136.9789	44	3	3	4218	2	6	8
A-L	0.0	0.0	-0.0192	-0.0192	2	0	0	12	0	0	0
B-C	0.0	0.0	-0.0073	-0.0073	6	0	0	5	0	0	1
B-D	-34.2489	-12.455	-203.788	-250.4918	101	8	0	8505	4	28	39
B-I	0.0	0.0	-0.1302	-0.1302	10	0	0	58	0	0	0
B-J	-9.0992	-10.3966	-53.3424	-72.8383	37	2	2	1969	0	7	9
C-D	-43.0176	1.2075	-403.786	-445.5961	148	15	15	17397	4	20	28
C-J	0.0	0.0	-0.0904	-0.0904	2	0	0	25	0	0	0
C-L	0.0	0.0	-1.6688	-1.6688	7	3	0	131	0	2	2
I-J	-48.5293	2.4511	-370.216	-416.2942	147	10	14	16343	4	20	26
I-K	-45.0593	-26.6341	-218.369	-290.0624	103	25	0	9245	3	28	38
I-L	0.0	0.0	-0.0006	-0.0006	2	0	0	1	0	0	1
J-K	0.0	0.0	-0.0085	-0.0085	6	0	0	8	0	0	1
J-L	-39.8347	4.1741	-207.502	-243.1626	99	24	0	9171	2	27	38
K-L	-48.2234	3.8197	-345.602	-390.0056	145	13	14	15845	4	19	26

Interface residues

• A-B: ALA236A, ALA236B, ALA23A, ALA23B, ALA241A, ALA241B, ARG16A, ARG16B, 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, THR57A, THR57B, THR61A, THR61B, TRP74A, TRP74B, TYR18A, TYR18B, TYR281A, TYR281B, TYR32A, TYR32B, TYR38A, TYR38B, TYR39A, TYR39B, VAL20A, VAL20B, VAL24A, VAL24B
• A-C: ALA223A, ALA223C, ALA236A, ALA236C, ALA241A, ALA241C, ARG220A, ARG220C, ARG246A, ARG246C, ARG260A, ARG260C, ASN141A, ASN141C, ASN170A, ASN170C, ASN238A, ASN238C, ASP118A, ASP118C, ASP226A, ASP226C, ASP280A, ASP280C, GLN231A, GLN231C, GLN247A, GLN247C, GLU235A, GLU235C, GLU244A, GLU244C, GLU245A, GLU245C, GLU256A, GLU256C, GLY116A, GLY116C, GLY219A, GLY219C, GLY221A, GLY221C, GLY248A, GLY248C, HIS117A, HIS117C, HIS139A, HIS139C, ILE113A, ILE113C, ILE234A, ILE234C, ILE240A, ILE240C, ILE243A, ILE243C, LEU225A, LEU225C, LEU249A, LEU249C, LEU285A, LEU285C, LEU286A, LEU286C, LYS250A, LYS250C, LYS283A, LYS287A, LYS287C, LYS290A, LYS290C, MET288A, MET288C, PHE239A, PHE239C, PHE259A, PHE259C, SER232A, SER232C, SER237A, SER237C, THR242A, THR242C, TRP224A, TRP224C, TYR115A, TYR115C, TYR138A, TYR138C, TYR146A, TYR146C, TYR222A, TYR222C, TYR284A, TYR284C, VAL140A, VAL140C, VAL289A, VAL289C
• A-D: ASN238A, ASN238D
• A-I: ALA194I, ARG16I, ARG195I, ARG63A, ASN77A, ASP70A, ASP87I, GLN65A, GLN66A, GLN73A, GLN79A, GLU162I, GLU197I, GLU271A, GLY196I, GLY69A, GLY71A, LEU68A, LEU78A, LYS163I, LYS191I, PHE64A, PRO192I, PRO275A, PRO58A, PRO62A, PRO86I, SER193I, SER72A, THR15I, THR61A, TYR80A, VAL82A
• A-J: ALA266A, ALA266J, ALA273A, ALA273J, ASN279A, ASN279J, ASP280A, ASP280J, GLN267A, GLN267J, GLN268A, GLN268J, GLU271A, GLU271J, GLY274A, GLY274J, GLY282A, GLY282J, ILE270A, ILE270J, LEU272A, LEU272J, LEU276A, LEU276J, LEU286A, LEU286J, LYS278A, LYS278J, LYS283A, LYS283J, LYS287A, LYS287J, LYS290A, LYS290J, PRO275A, PRO275J, SER277A, SER277J, TYR284A, TYR284J, VAL269A, VAL269J, VAL289A, VAL289J
• A-L: ASN141L, GLN267A
• B-C: ASN238B, ASN238C, GLN231B, GLN231C, GLU235B, GLU235C
• B-D: ALA223B, ALA223D, ALA236B, ALA236D, ALA241B, ALA241D, ARG220B, ARG220D, ARG246B, ARG246D, ARG260B, ARG260D, ASN141B, ASN141D, ASN170B, ASN170D, ASN238B, ASN238D, ASP118B, ASP118D, ASP226B, ASP226D, ASP280B, ASP280D, CYS253D, GLN231B, GLN231D, GLN247B, GLN247D, GLU235B, GLU235D, GLU244B, GLU244D, GLU245B, GLU245D, GLU256B, GLU256D, GLY116B, GLY116D, GLY219B, GLY219D, GLY221B, GLY221D, GLY248B, GLY248D, HIS117B, HIS117D, HIS139B, HIS139D, ILE113B, ILE113D, ILE234B, ILE234D, ILE240B, ILE240D, ILE243B, ILE243D, LEU225B, LEU225D, LEU249B, LEU249D, LEU285B, LEU285D, LEU286B, LEU286D, LYS121B, LYS250B, LYS250D, LYS283B, LYS283D, LYS287B, LYS287D, LYS290B, LYS290D, MET288B, MET288D, PHE239B, PHE239D, PHE259D, SER232B, SER232D, SER237B, SER237D, THR242B, THR242D, TRP224B, TRP224D, TYR115B, TYR115D, TYR138B, TYR138D, TYR146B, TYR146D, TYR222B, TYR222D, TYR284B, TYR284D, VAL140B, VAL140D, VAL289B, VAL289D
• B-I: GLN59B, GLN59I, PRO58B, PRO58I, PRO84B, PRO84I, PRO86B, PRO86I, SER85B, SER85I
• B-J: ALA194B, ARG16B, ARG195B, ARG50J, ARG63J, ASN77J, ASP70J, ASP87B, GLN65J, GLN66J, GLN73J, GLN79J, GLU162B, GLU197B, GLU271J, GLY196B, GLY69J, GLY71J, ILE54J, LEU165B, LEU67J, LEU68J, LEU78J, LYS163B, LYS191B, PHE64J, PRO192B, PRO275J, PRO58J, PRO62J, PRO86B, SER193B, SER72J, THR15B, THR61J, TYR80J, VAL82J
• C-D: ALA236C, ALA236D, ALA23C, ALA23D, ALA241C, ALA241D, ARG16C, ARG16D, 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, GLU244D, GLU245C, GLU245D, GLU255C, GLU255D, GLY14C, GLY14D, GLY228C, GLY228D, GLY274C, GLY274D, GLY282C, GLY282D, GLY69C, GLY69D, HIS230C, HIS230D, ILE234C, ILE234D, ILE240C, ILE240D, ILE31C, ILE31D, ILE37D, 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
• C-J: ASN141C, GLN267J
• C-L: ASP152C, ASP152L, GLN153C, GLN153L, PHE151C, PHE151L, VAL158C
• I-J: ALA236I, ALA236J, ALA23I, ALA23J, ALA241I, ALA241J, ARG16I, ARG16J, ARG63I, ARG63J, ASN238I, ASN238J, ASN279I, ASN279J, ASP280I, ASP280J, ASP33I, ASP33J, ASP60I, ASP60J, CYS253I, CYS253J, GLN231I, GLN231J, GLN27I, GLN27J, GLN59I, GLN59J, GLN65I, GLN65J, GLN66I, GLN66J, GLN73I, GLN73J, GLU235I, GLU235J, GLU244I, GLU245I, GLU245J, GLU255I, GLU255J, GLY14I, GLY14J, GLY228I, GLY228J, GLY274I, GLY274J, GLY282I, GLY282J, GLY69I, GLY69J, HIS230I, HIS230J, ILE234I, ILE234J, ILE240I, ILE240J, ILE31I, ILE31J, LEU17I, LEU17J, LEU233I, LEU233J, LEU272I, LEU272J, LEU276I, LEU276J, LEU285I, LEU285J, LEU28I, LEU28J, LEU29I, LEU29J, LEU67I, LEU67J, LEU68I, LEU68J, LYS250I, LYS250J, LYS26I, LYS26J, LYS278I, LYS278J, LYS283I, LYS283J, LYS34I, LYS34J, MET22I, MET22J, MET36I, MET36J, PHE239I, PHE239J, PHE64I, PHE64J, PRO19I, PRO19J, PRO254I, PRO254J, PRO275I, PRO275J, PRO30I, PRO30J, PRO35I, PRO35J, PRO58I, PRO58J, PRO62I, PRO62J, SER13I, SER13J, SER232I, SER232J, SER237I, SER237J, SER25I, SER25J, SER277I, SER277J, THR15I, THR15J, THR21I, THR21J, THR229I, THR229J, THR242I, THR242J, THR57I, THR57J, THR61I, THR61J, TRP74I, TRP74J, TYR18I, TYR18J, TYR281I, TYR281J, TYR32I, TYR32J, TYR38I, TYR38J, TYR39I, TYR39J, VAL20I, VAL20J, VAL24I, VAL24J
• I-K: ALA223I, ALA223K, ALA236I, ALA236K, ALA241I, ALA241K, ARG220I, ARG220K, ARG246I, ARG246K, ARG260I, ARG260K, ASN141I, ASN141K, ASN170I, ASN170K, ASN238I, ASN238K, ASP118I, ASP118K, ASP142K, ASP226I, ASP226K, ASP280I, ASP280K, CYS253I, GLN231I, GLN231K, GLN247I, GLN247K, GLU235I, GLU235K, GLU244I, GLU244K, GLU245I, GLU245K, GLU256I, GLU256K, GLY116I, GLY116K, GLY219I, GLY219K, GLY221I, GLY221K, GLY248I, GLY248K, HIS117I, HIS117K, HIS139I, HIS139K, ILE113I, ILE113K, ILE234K, ILE240I, ILE240K, ILE243I, ILE243K, LEU225I, LEU225K, LEU249I, LEU249K, LEU285I, LEU285K, LEU286I, LEU286K, LYS121I, LYS121K, LYS250I, LYS250K, LYS283I, LYS283K, LYS287I, LYS287K, LYS290I, LYS290K, MET288I, MET288K, PHE239I, PHE239K, PHE259I, PHE259K, PRO143K, SER232I, SER232K, SER237K, THR242I, THR242K, TRP224I, TRP224K, TYR115I, TYR115K, TYR138I, TYR138K, TYR146I, TYR146K, TYR222I, TYR222K, TYR284I, TYR284K, VAL140I, VAL140K, VAL289I, VAL289K
• I-L: ASN238I, ASN238L
• J-K: ASN238J, ASN238K, GLN231J, GLN231K, GLU235J, GLU235K
• J-L: ALA223J, ALA223L, ALA236J, ALA236L, ALA241J, ALA241L, ARG220J, ARG220L, ARG246J, ARG246L, ARG260J, ARG260L, ASN141J, ASN141L, ASN170J, ASN170L, ASN238J, ASN238L, ASP118J, ASP118L, ASP226J, ASP226L, ASP280J, ASP280L, CYS253L, GLN231J, GLN231L, GLN247J, GLN247L, GLU235J, GLU235L, GLU244J, GLU244L, GLU245J, GLU245L, GLU256J, GLU256L, GLY116J, GLY116L, GLY219J, GLY219L, GLY221J, GLY221L, GLY248J, GLY248L, HIS117J, HIS117L, HIS139J, HIS139L, ILE113J, ILE113L, ILE234J, ILE240J, ILE240L, ILE243J, ILE243L, LEU225J, LEU225L, LEU249J, LEU249L, LEU285J, LEU285L, LEU286J, LEU286L, LYS121J, LYS250J, LYS250L, LYS283J, LYS283L, LYS287J, LYS287L, LYS290J, LYS290L, MET288J, MET288L, PHE239J, PHE239L, PHE259J, PHE259L, SER232J, SER232L, SER237J, THR242J, THR242L, TRP224J, TRP224L, TYR115J, TYR115L, TYR138J, TYR138L, TYR146J, TYR222J, TYR222L, TYR284J, TYR284L, VAL140J, VAL140L, VAL289J, VAL289L
• K-L: ALA236K, ALA236L, ALA23K, ALA23L, ALA241K, ALA241L, ARG16K, ARG16L, ARG63K, ARG63L, ASN238K, ASN238L, ASN279K, ASN279L, ASP280K, ASP280L, ASP33K, ASP33L, ASP60K, ASP60L, CYS253K, CYS253L, GLN231K, GLN231L, GLN27K, GLN27L, GLN59K, GLN59L, GLN65K, GLN65L, GLN66K, GLN66L, GLN73K, GLN73L, GLU235K, GLU235L, GLU244K, GLU245K, GLU245L, GLU255K, GLU255L, GLY14K, GLY14L, GLY228K, GLY228L, GLY274K, GLY274L, GLY282K, GLY282L, GLY69K, GLY69L, HIS230K, HIS230L, ILE234K, ILE234L, ILE240K, ILE240L, ILE31K, ILE31L, LEU17K, LEU17L, LEU233K, LEU233L, LEU272K, LEU276K, LEU276L, LEU285K, LEU285L, LEU28K, LEU28L, LEU29K, LEU29L, LEU67K, LEU67L, LEU68K, LEU68L, LYS250K, LYS250L, LYS26L, LYS278K, LYS278L, LYS283K, LYS283L, LYS34K, LYS34L, MET22K, MET22L, MET36K, MET36L, PHE239K, PHE239L, PHE64K, PHE64L, PRO19K, PRO19L, PRO254K, PRO254L, PRO275K, PRO275L, PRO30K, PRO30L, PRO35K, PRO35L, PRO58K, PRO58L, PRO62K, PRO62L, SER13K, SER13L, SER232K, SER232L, SER237K, SER237L, SER25K, SER25L, SER277K, SER277L, THR15K, THR15L, THR21K, THR21L, THR229K, THR229L, THR242K, THR242L, THR57K, THR57L, THR61K, THR61L, TRP74K, TRP74L, TYR18K, TYR18L, TYR281K, TYR281L, TYR32K, TYR32L, TYR38K, TYR38L, TYR39K, TYR39L, VAL20K, VAL20L, VAL24K, VAL24L