3IMP

new crystal form of the c-terminal domain of helicobacter pylori motb (residues 125-256)

• Total interactions analyzed: 66
• Total true interactions: 31
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 84
  • Norm. En. per Res.: -4.1182
• Hub Node: C(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
B-C	0.0	1.3379	-161.369	-160.0311	75	3	0	6774	0	6	9
B-D	0.0	0.0	-15.4523	-15.4523	18	2	0	639	0	0	1
B-E	-80.5235	-34.619	-230.965	-346.1075	85	10	13	9105	3	23	24
B-A	0.0	0.0	-0.0068	-0.0068	2	0	0	7	0	4	1
C-D	-78.3176	-31.2941	-236.315	-345.9267	84	14	12	9173	3	24	24
C-E	0.0	0.0	-3.074	-3.074	8	0	0	305	0	0	0
C-A	-6.0574	-12.5068	-14.9415	-33.5057	28	6	0	1483	1	9	10
C-I	0.0	2.2846	-42.9475	-40.6629	27	1	0	1617	0	7	6
C-K	0.0	-6.5057	-15.0514	-21.5571	21	0	1	1063	0	9	7
C-L	0.0	-5.5383	-4.9195	-10.4578	6	1	0	268	0	4	1
D-E	-4.2172	1.8695	-151.703	-154.0508	76	6	0	6526	0	6	9
D-I	0.0	0.0	-0.174	-0.174	3	0	0	41	0	2	1
E-A	0.0	2.6964	-49.4249	-46.7285	26	2	0	1770	0	7	6
E-G	0.0	-3.5429	-17.2949	-20.8378	22	0	1	1134	0	10	7
E-H	0.0	-9.1845	-5.4181	-14.6025	10	0	0	306	1	4	1
E-I	-7.9653	-12.2182	-26.3671	-46.5507	27	5	0	1423	1	9	10
A-F	0.0	-4.125	-168.208	-172.333	70	4	0	6868	1	6	9
A-G	0.0	0.0	-7.6413	-7.6413	13	0	0	475	0	0	1
A-H	-62.1993	-24.4668	-217.913	-304.5791	82	9	10	8819	2	23	23
A-I	0.0	2.5725	-6.7453	-4.1728	26	0	0	539	0	8	12
A-K	-13.8772	-2.9255	-30.7516	-47.5543	26	3	0	1415	0	11	9
F-G	-60.2385	-42.8727	-235.88	-338.9912	86	10	12	9276	3	22	22
F-H	0.0	0.0	-13.3637	-13.3637	16	0	0	593	0	0	1
G-H	0.0	-0.2221	-149.297	-149.5191	71	3	0	6112	0	6	9
G-I	-11.3983	-2.2634	-32.77	-46.4317	27	2	0	1389	0	11	9
I-J	0.0	-5.3961	-162.301	-167.6971	70	3	0	6846	1	6	10
I-K	0.0	0.0	-6.7922	-6.7922	13	0	0	444	0	0	0
I-L	-61.4103	-11.1591	-213.549	-286.1185	82	10	10	8713	0	24	23
J-K	-60.1024	-6.3668	-222.213	-288.6822	83	10	13	8874	2	22	21
J-L	0.0	0.0	-13.9029	-13.9029	14	0	0	592	0	0	1
K-L	-16.934	0.9649	-151.357	-167.3261	70	3	0	6239	0	6	9

Interface residues

• B-C: ALA180B, ALA180C, ALA181B, ALA181C, ALA184B, ALA184C, ARG172B, ARG172C, ARG183B, ARG183C, ARG186B, ARG186C, ASN158C, ASN182B, ASN182C, ASN197B, ASN197C, ASN199B, ASN199C, ASP131B, ASP131C, GLN149C, GLN193B, GLN193C, GLN200B, GLN200C, GLU178B, GLU178C, GLY195B, GLY195C, GLY207B, GLY207C, HIS156B, HIS156C, HIS176B, HIS176C, ILE192B, ILE192C, LEU179B, LEU179C, LEU191B, LEU201B, LEU201C, LYS153B, LYS153C, LYS174B, LYS174C, LYS189B, LYS189C, MET188B, MET188C, PHE173B, PHE173C, PHE203B, PHE203C, PRO198B, PRO198C, SER175B, SER175C, SER202B, SER202C, SER204B, SER204C, SER205B, SER205C, TYR177B, TYR177C, TYR185B, TYR185C, TYR206B, TYR206C, VAL190B, VAL190C, VAL196B, VAL196C
• B-D: ASN210B, ASN210D, GLY207B, GLY207D, PHE162B, PHE162D, PRO211B, PRO211D, SER205B, SER205D, SER208B, SER208D, THR209B, THR209D, TYR177B, TYR177D, TYR206B, TYR206D
• B-E: ALA235B, ALA235E, ARG154B, ARG154E, ARG160B, ARG160E, ARG226B, ARG226E, ASN158B, ASN158E, ASN199E, ASN210B, ASN210E, ASN236B, ASN236E, ASN250B, ASP121B, ASP121E, ASP234B, ASP234E, ASP237B, ASP237E, ASP246B, ASP246E, GLU228B, GLU228E, GLY119B, GLY119E, HIS156B, HIS156E, HIS242B, HIS242E, ILE120B, ILE120E, ILE144B, ILE144E, ILE147B, ILE147E, ILE157B, ILE157E, ILE212B, ILE212E, ILE229B, ILE229E, ILE241B, ILE241E, ILE244B, ILE244E, LEU151B, LEU151E, LEU238B, LEU238E, LEU245B, LEU245E, LYS153E, LYS240B, LYS240E, PHE162B, PHE162E, PHE230B, PHE230E, PHE231B, PHE231E, PHE249B, PHE249E, PRO122B, PRO122E, PRO152B, PRO152E, PRO211B, PRO211E, SER232B, SER232E, SER239B, SER239E, SER243B, SER243E, THR233B, THR233E, TYR140B, TYR140E, TYR206B, TYR206E, VAL155B, VAL155E
• B-A: LYS153B, LYS223A
• C-D: ALA235C, ALA235D, ARG154C, ARG154D, ARG160C, ARG160D, ARG226C, ARG226D, ASN158C, ASN158D, ASN199C, ASN210C, ASN210D, ASN236C, ASN236D, ASP121C, ASP121D, ASP234C, ASP234D, ASP237C, ASP237D, ASP246C, ASP246D, GLU228C, GLU228D, GLY119C, GLY119D, HIS156C, HIS156D, HIS242C, HIS242D, ILE120C, ILE120D, ILE144C, ILE144D, ILE147C, ILE147D, ILE157C, ILE157D, ILE212C, ILE212D, ILE229C, ILE229D, ILE241C, ILE241D, ILE244C, ILE244D, LEU151C, LEU151D, LEU238C, LEU238D, LEU245C, LEU245D, LYS153C, LYS153D, LYS240C, LYS240D, PHE162C, PHE162D, PHE230C, PHE230D, PHE231C, PHE231D, PHE249C, PHE249D, PRO122C, PRO122D, PRO152C, PRO152D, PRO211C, PRO211D, SER232C, SER232D, SER239C, SER239D, SER243C, SER243D, THR233C, THR233D, TYR140D, TYR206C, TYR206D, VAL155C, VAL155D
• C-E: ASN210C, ASN210E, THR209C, THR209E, TYR177C, TYR177E, TYR206C, TYR206E
• C-A: ALA128A, ARG221A, ASN127A, ASN215C, ASP164C, ASP165C, ASP216A, GLU126A, GLU178C, GLU219A, GLY207C, HIS176C, LEU168C, LEU179C, LEU218A, LYS174C, LYS223A, MET222A, PHE173C, PRO167C, SER175C, SER208C, SER217A, THR163C, THR166C, THR209C, TYR177C, VAL169C
• C-I: ALA213C, ALA213I, ARG221I, ARG226I, ASN210C, ASN210I, ASN215C, ASN215I, ASN220C, ASN220I, ASN224C, ASN224I, ASP165C, ASP216C, ASP216I, ILE212C, ILE212I, PRO211C, PRO211I, PRO214C, PRO214I, SER208C, SER208I, SER217C, SER217I, THR209C, THR209I
• C-K: ARG221C, ASN220C, ASP165K, ASP216C, GLU219C, HIS176K, LEU168K, LEU218C, LYS170K, LYS174K, MET222C, PHE173K, PRO167C, PRO167K, SER175K, SER217C, THR166C, THR166K, THR171K, TYR177K, VAL169K
• C-L: ALA213C, ASN220C, GLU219C, LYS153L, LYS223C, SER217C
• D-E: ALA180D, ALA180E, ALA181D, ALA181E, ALA184D, ALA184E, ARG172D, ARG172E, ARG183D, ARG183E, ARG186D, ARG186E, ASN182D, ASN182E, ASN197D, ASN197E, ASN199D, ASN199E, ASP131D, ASP131E, GLN149D, GLN149E, GLN193D, GLN193E, GLN200D, GLN200E, GLU178D, GLU178E, GLY195D, GLY195E, GLY207D, GLY207E, HIS156D, HIS156E, HIS176D, HIS176E, ILE192D, ILE192E, LEU179D, LEU179E, LEU191D, LEU201D, LEU201E, LYS153D, LYS153E, LYS174D, LYS174E, LYS189D, LYS189E, MET188D, MET188E, PHE173D, PHE173E, PHE203D, PHE203E, PRO198D, PRO198E, SER175D, SER175E, SER202D, SER202E, SER204D, SER204E, SER205D, SER205E, TYR177D, TYR177E, TYR185D, TYR185E, TYR206D, TYR206E, VAL187D, VAL190D, VAL190E, VAL196D, VAL196E
• D-I: ASN220I, LYS153D, LYS223I
• E-A: ALA213A, ALA213E, ARG226A, ASN210A, ASN210E, ASN215A, ASN215E, ASN220A, ASN220E, ASN224A, ASN224E, ASP165E, ASP216A, ASP216E, ILE212A, ILE212E, PRO211A, PRO211E, PRO214A, PRO214E, SER208A, SER208E, SER217A, SER217E, THR209A, THR209E
• E-G: ARG221E, ASN220E, ASP165G, ASP216E, GLU178G, GLU219E, HIS176G, LEU168G, LEU218E, LYS170G, LYS174G, MET222E, PHE173G, PRO167E, PRO167G, SER175G, SER217E, THR166E, THR166G, THR171G, TYR177G, VAL169G
• E-H: ALA213E, ARG154H, ASN197H, ASN220E, ASP216E, GLU219E, LYS153H, LYS223E, PRO214E, SER217E
• E-I: ALA128I, ARG221I, ASN127I, ASN134I, ASP164E, ASP165E, ASP216I, GLU126I, GLU178E, GLU219I, GLY207E, HIS176E, LEU168E, LEU179E, LEU218I, LYS174E, MET222I, PHE173E, PRO167E, SER175E, SER208E, SER217I, THR163E, THR166E, THR209E, TYR177E, VAL169E
• A-F: ALA180A, ALA180F, ALA181A, ALA181F, ALA184A, ALA184F, ARG172A, ARG183A, ARG183F, ARG186A, ARG186F, ASN182A, ASN182F, ASN197A, ASN197F, ASN199A, ASN199F, ASP131A, GLN193A, GLN193F, GLN200A, GLN200F, GLU178A, GLU178F, GLY195F, GLY207A, GLY207F, HIS156A, HIS156F, HIS176A, HIS176F, ILE192A, ILE192F, LEU179A, LEU179F, LEU201A, LEU201F, LYS153A, LYS153F, LYS174A, LYS174F, LYS189A, LYS189F, MET188A, MET188F, PHE173A, PHE173F, PHE203A, PHE203F, PRO198A, PRO198F, SER175A, SER175F, SER202A, SER202F, SER204A, SER204F, SER205A, SER205F, TYR177A, TYR177F, TYR185A, TYR185F, TYR206A, TYR206F, VAL159A, VAL190A, VAL190F, VAL196A, VAL196F
• A-G: ASN210A, ASN210G, GLY207A, GLY207G, PRO211A, SER208A, SER208G, THR209A, THR209G, TYR177A, TYR177G, TYR206A, TYR206G
• A-H: ALA235A, ALA235H, ARG154A, ARG154H, ARG160A, ARG160H, ARG226A, ARG226H, ASN158A, ASN158H, ASN210A, ASN210H, ASN236A, ASN236H, ASP121A, ASP121H, ASP234A, ASP234H, ASP237A, ASP237H, ASP246A, ASP246H, GLU228A, GLU228H, GLY119A, GLY119H, HIS156A, HIS156H, HIS242A, HIS242H, ILE120A, ILE120H, ILE144A, ILE144H, ILE147A, ILE147H, ILE157A, ILE157H, ILE212A, ILE212H, ILE229A, ILE229H, ILE241A, ILE241H, ILE244H, LEU151A, LEU151H, LEU238A, LEU238H, LEU245A, LEU245H, LYS153A, LYS240A, LYS240H, PHE162A, PHE162H, PHE230A, PHE230H, PHE231A, PHE231H, PHE249A, PHE249H, PRO122A, PRO122H, PRO152A, PRO152H, PRO211A, PRO211H, SER232A, SER232H, SER239A, SER239H, SER243A, SER243H, THR233A, THR233H, TYR140A, TYR140H, TYR206A, TYR206H, VAL155A, VAL155H
• A-I: ARG221A, ARG221I, ASN215A, ASN215I, ASP164A, ASP164I, ASP165A, ASP165I, ASP216A, ASP216I, HIS176A, HIS176I, LEU168A, LEU168I, PRO167A, PRO167I, SER208A, SER208I, SER217A, SER217I, THR166A, THR166I, TYR177A, TYR177I, VAL169A, VAL169I
• A-K: ALA132A, ALA213K, ARG172A, ARG221K, ASN127A, ASN210K, ASN215K, ASN220K, ASN224K, ASP131A, ASP164K, ASP165K, ASP216K, ILE212K, LEU168A, LYS170A, PHE173A, PRO211K, PRO214K, SER130A, SER208K, SER217K, THR129A, THR171A, THR209K, VAL169A
• F-G: ALA213G, ALA235F, ALA235G, ARG154F, ARG154G, ARG160F, ARG160G, ARG226F, ARG226G, ASN158F, ASN158G, ASN199G, ASN210F, ASN210G, ASN236F, ASN236G, ASN250G, ASP121F, ASP121G, ASP234F, ASP234G, ASP237F, ASP237G, ASP246F, ASP246G, GLU228F, GLU228G, GLY119F, GLY119G, HIS156F, HIS156G, HIS242F, HIS242G, ILE120F, ILE120G, ILE144F, ILE144G, ILE147F, ILE147G, ILE157F, ILE157G, ILE212F, ILE212G, ILE229F, ILE229G, ILE241F, ILE241G, ILE244F, ILE244G, LEU151F, LEU151G, LEU238F, LEU238G, LEU245F, LEU245G, LYS153G, LYS240F, LYS240G, PHE162F, PHE162G, PHE230F, PHE230G, PHE231F, PHE231G, PHE249F, PHE249G, PRO122F, PRO122G, PRO152G, PRO211F, PRO211G, SER232F, SER232G, SER239F, SER239G, SER243F, SER243G, THR209G, THR233F, THR233G, TYR140F, TYR140G, TYR206F, TYR206G, VAL155F, VAL155G
• F-H: ASN210F, ASN210H, GLY207F, GLY207H, PRO211F, PRO211H, SER205F, SER205H, SER208F, SER208H, THR209F, THR209H, TYR177F, TYR177H, TYR206F, TYR206H
• G-H: ALA180G, ALA180H, ALA181G, ALA181H, ALA184G, ALA184H, ARG172G, ARG172H, ARG183G, ARG183H, ARG186G, ARG186H, ASN182G, ASN182H, ASN197G, ASN197H, ASN199G, ASN199H, ASP131G, ASP131H, GLN193G, GLN193H, GLN200G, GLN200H, GLU178G, GLU178H, GLY195H, GLY207G, GLY207H, HIS156G, HIS156H, HIS176G, HIS176H, ILE192G, ILE192H, LEU179G, LEU179H, LEU191G, LEU201G, LEU201H, LYS153G, LYS153H, LYS174G, LYS174H, LYS189G, LYS189H, MET188G, MET188H, PHE173G, PHE173H, PHE203G, PHE203H, PRO198G, PRO198H, SER175G, SER175H, SER202G, SER202H, SER204G, SER204H, SER205G, SER205H, TYR177G, TYR177H, TYR185G, TYR185H, TYR206G, TYR206H, VAL190G, VAL190H, VAL196G
• G-I: ALA132I, ALA213G, ARG172I, ARG221G, ASN127I, ASN210G, ASN215G, ASN220G, ASN224G, ASP131I, ASP164G, ASP165G, ASP216G, ILE212G, LEU168I, LYS170I, LYS174I, PHE173I, PRO211G, PRO214G, SER130I, SER208G, SER217G, THR129I, THR171I, THR209G, VAL169I
• I-J: ALA180I, ALA180J, ALA181I, ALA181J, ALA184I, ALA184J, ARG172I, ARG172J, ARG183I, ARG183J, ARG186I, ARG186J, ASN182I, ASN182J, ASN197I, ASN197J, ASN199I, ASN199J, ASP131I, GLN193I, GLN193J, GLN200I, GLN200J, GLU178I, GLU178J, GLY195I, GLY195J, GLY207I, GLY207J, HIS156I, HIS156J, HIS176I, HIS176J, ILE192I, ILE192J, LEU179I, LEU179J, LEU201I, LEU201J, LYS153I, LYS153J, LYS174I, LYS174J, LYS189I, LYS189J, MET188I, MET188J, PHE173I, PHE173J, PHE203I, PHE203J, PRO198I, PRO198J, SER175I, SER175J, SER202I, SER202J, SER204I, SER204J, SER205I, SER205J, TYR177I, TYR177J, TYR185I, TYR185J, TYR206I, TYR206J, VAL190I, VAL190J, VAL196J
• I-K: ASN210I, ASN210K, GLY207I, GLY207K, PRO211I, SER208I, SER208K, THR209I, THR209K, TYR177I, TYR177K, TYR206I, TYR206K
• I-L: ALA235I, ALA235L, ARG154I, ARG154L, ARG160I, ARG160L, ARG226I, ARG226L, ASN158I, ASN158L, ASN210I, ASN210L, ASN236I, ASN236L, ASP121I, ASP121L, ASP234I, ASP234L, ASP237I, ASP237L, ASP246I, ASP246L, GLU228I, GLU228L, GLY119I, GLY119L, HIS156I, HIS156L, HIS242I, HIS242L, ILE120I, ILE120L, ILE144I, ILE144L, ILE147I, ILE147L, ILE157I, ILE157L, ILE212I, ILE212L, ILE229I, ILE229L, ILE241I, ILE241L, ILE244I, ILE244L, LEU151I, LEU151L, LEU238I, LEU238L, LEU245I, LEU245L, LYS153I, LYS240I, LYS240L, PHE162I, PHE162L, PHE230I, PHE230L, PHE231I, PHE231L, PHE249I, PHE249L, PRO122I, PRO122L, PRO152I, PRO152L, PRO211I, PRO211L, SER232I, SER232L, SER239I, SER239L, SER243I, SER243L, THR233I, THR233L, TYR140I, TYR206I, TYR206L, VAL155I, VAL155L
• J-K: ALA235J, ALA235K, ARG154J, ARG154K, ARG160J, ARG160K, ARG226J, ARG226K, ASN158J, ASN158K, ASN199K, ASN210J, ASN210K, ASN236J, ASN236K, ASP121J, ASP121K, ASP234J, ASP234K, ASP237J, ASP237K, ASP246J, ASP246K, GLU228J, GLU228K, GLY119J, GLY119K, HIS156J, HIS156K, HIS242J, HIS242K, ILE120J, ILE120K, ILE144J, ILE144K, ILE147J, ILE147K, ILE157J, ILE157K, ILE212J, ILE212K, ILE229J, ILE229K, ILE241J, ILE241K, ILE244J, ILE244K, LEU151J, LEU151K, LEU238J, LEU238K, LEU245J, LEU245K, LYS240J, LYS240K, PHE162J, PHE162K, PHE230J, PHE230K, PHE231J, PHE231K, PHE249J, PHE249K, PRO122J, PRO122K, PRO152J, PRO152K, PRO211J, PRO211K, SER232J, SER232K, SER239J, SER239K, SER243J, SER243K, THR233J, THR233K, TYR140J, TYR140K, TYR206J, TYR206K, VAL155J, VAL155K
• J-L: ASN210J, ASN210L, GLY207J, GLY207L, PRO211J, PRO211L, SER205J, SER208J, THR209J, THR209L, TYR177J, TYR177L, TYR206J, TYR206L
• K-L: ALA180K, ALA180L, ALA181K, ALA181L, ALA184K, ALA184L, ARG172K, ARG172L, ARG183K, ARG183L, ARG186K, ARG186L, ASN182K, ASN182L, ASN197K, ASN197L, ASN199K, ASN199L, ASP131L, GLN193K, GLN193L, GLN200K, GLN200L, GLU178K, GLU178L, GLY207K, GLY207L, HIS156K, HIS156L, HIS176K, HIS176L, ILE157K, ILE192K, ILE192L, LEU179K, LEU179L, LEU191K, LEU201K, LEU201L, LYS153K, LYS153L, LYS174K, LYS174L, LYS189K, LYS189L, MET188K, MET188L, PHE173K, PHE173L, PHE203K, PHE203L, PRO198K, PRO198L, SER175K, SER175L, SER202K, SER202L, SER204K, SER204L, SER205K, SER205L, TYR177K, TYR177L, TYR185K, TYR185L, TYR206K, TYR206L, VAL190K, VAL190L, VAL196K