2JG9

crystallographic structure of human c1q globular heads (p1)

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 98
  • Norm. En. per Res.: -3.5955
• 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	-33.9517	-2.2654	-275.361	-311.5781	102	10	16	11373	1	11	7
A-C	-68.2096	0.0	-284.15	-352.3596	98	13	9	11173	0	8	5
A-F	0.0	13.6363	-77.5422	-63.9059	53	11	1	3882	0	9	13
B-C	-44.41	-10.1275	-279.528	-334.0655	103	11	11	11380	1	4	5
C-D	0.0	13.634	-86.5471	-72.9131	54	6	1	4024	0	9	14
C-F	-25.9722	-6.0419	-126.271	-158.2851	53	12	6	4626	0	4	5
D-E	-39.7613	-3.6835	-288.209	-331.6538	99	11	15	11634	1	11	7
D-F	-57.7345	0.0	-280.468	-338.2025	99	21	9	11068	0	8	5
E-F	-43.4016	-8.9131	-273.63	-325.9446	103	10	12	11346	1	4	4

Interface residues

• A-B: ALA174B, ALA210A, ALA94A, ALA97A, ARG100A, ARG159B, ARG92A, ARG99A, ASN117A, ASN152B, ASN156B, ASN176B, ASP169A, ASP172B, ASP211A, ASP223B, CYS154B, CYS171B, GLN118A, GLN142A, GLN146A, GLN177A, GLN179B, GLN90A, GLU119A, GLU209A, GLY139B, GLY174A, GLY181A, GLY182A, GLY183B, GLY184B, GLY216A, HIS146B, ILE115A, ILE219A, ILE98A, LEU140B, LEU144A, LEU153B, LEU157B, LEU175A, LEU187B, LEU189B, LEU218A, LEU220B, LYS166B, LYS173A, LYS188B, LYS202B, MET185B, PHE139A, PHE141A, PHE143B, PHE170B, PHE176A, PHE214A, PHE217A, PHE218B, PHE220A, PHE221B, PHE95A, PRO221A, PRO222B, PRO91A, PRO93A, SER145A, SER180A, SER208A, SER212A, SER215A, SER96A, THR113A, THR116A, THR140A, THR144B, THR169B, THR171A, THR177B, THR181B, THR182B, THR200B, TYR136A, TYR137A, TYR138A, TYR141B, TYR142B, TYR145B, TYR173B, TYR175B, TYR205A, VAL114A, VAL133A, VAL143A, VAL155B, VAL167B, VAL168B, VAL178A, VAL179A, VAL180B, VAL186B, VAL213A
• A-C: ALA114C, ALA144C, ARG163A, ARG98C, ASN118C, ASN172A, ASN172C, ASN175C, ASP169A, ASP198A, ASP206C, CYS150A, CYS168A, GLN120C, GLN142A, GLN173C, GLN177A, GLN186A, GLN203C, GLN91C, GLN99C, GLU148A, GLY135A, GLY166A, GLY177C, GLY181A, GLY182A, GLY201C, GLY204C, GLY211C, HIS143C, HIS146C, HIS167C, ILE149A, ILE153A, ILE202C, ILE219A, LEU116C, LEU151A, LEU165A, LEU175A, LEU185A, LEU213C, LEU214C, LEU218A, LYS170C, LYS173A, LYS201A, MET183A, PHE112C, PHE139A, PHE141A, PHE167A, PHE176A, PHE209C, PHE212C, PHE217A, PHE220A, PHE90C, PHE94C, PRO119C, PRO216C, PRO221A, SER145C, SER152A, SER164A, SER169C, SER176C, SER180A, SER205C, SER207C, SER210C, SER222A, SER92C, THR117C, THR140A, THR147C, THR168C, THR170A, THR171A, THR171C, THR95C, THR97C, TRP147A, TYR136A, TYR137A, TYR138A, TYR139C, TYR142C, VAL115C, VAL141C, VAL174C, VAL178A, VAL179A, VAL184A, VAL208C, VAL93C, VAL96C
• A-F: ALA105F, ALA114F, ARG111F, ARG158A, ARG162A, ARG163A, ARG98F, ASN107A, ASN107F, ASN113F, ASP124F, ASP191A, ASP198A, CYS150A, CYS168A, GLN102F, GLN160A, GLN186A, GLN188A, GLN99F, GLU196A, GLY128F, GLY159A, GLY166A, HIS101F, ILE153A, LEU109F, LEU151A, LEU165A, LEU185A, LEU187A, LYS129F, LYS197A, LYS200A, LYS201A, MET183A, PRO103F, PRO104F, PRO106F, PRO199A, SER108F, SER126F, SER152A, SER155A, SER156A, SER157A, SER164A, THR100F, THR125F, THR127F, THR97F, VAL154A, VAL161A
• B-C: ALA144C, ALA147B, ALA174B, ALA211B, ALA96B, ALA99B, ARG101B, ARG150B, ARG156C, ARG182C, ASN121B, ASN123B, ASN149C, ASN175C, ASN176B, ASN194C, ASN212B, ASP172B, ASP217C, CYS151C, CYS165C, GLN173C, GLN179B, GLN93B, GLU209B, GLY136C, GLY166C, GLY177C, GLY178C, GLY183B, GLY184B, GLY210B, GLY217B, HIS117B, HIS143C, HIS146B, HIS146C, HIS167C, ILE119B, ILE214B, ILE95B, LEU137C, LEU140B, LEU150C, LEU153C, LEU154C, LEU180C, LEU181C, LEU206B, LEU213C, LEU214C, LEU219B, LEU220B, LYS160C, LYS94B, MET122B, MET208B, PHE115B, PHE140C, PHE143B, PHE164C, PHE178B, PHE212C, PHE215B, PHE215C, PHE218B, PHE221B, PHE97B, PRO135C, PRO216C, PRO222B, SER148B, SER149B, SER169C, SER176C, SER213B, SER216B, SER98B, THR100B, THR120B, THR144B, THR163C, THR168C, THR177B, THR181B, THR182B, THR92B, TYR138C, TYR139C, TYR141B, TYR142B, TYR142C, TYR145B, TYR173B, TYR175B, TYR196C, VAL141C, VAL152C, VAL161C, VAL162C, VAL174C, VAL179C, VAL180B
• C-D: ALA105C, ALA114C, ARG111C, ARG158D, ARG162D, ARG163D, ARG98C, ASN107C, ASN107D, ASN113C, ASP124C, ASP191D, ASP198D, CYS150D, CYS168D, GLN102C, GLN160D, GLN186D, GLN188D, GLN99C, GLU196D, GLY128C, GLY159D, GLY166D, HIS101C, ILE153D, LEU109C, LEU151D, LEU165D, LEU185D, LEU187D, LYS129C, LYS197D, LYS200D, LYS201D, MET183D, PRO103C, PRO104C, PRO106C, PRO199D, SER108C, SER126C, SER152D, SER155D, SER156D, SER157D, SER164D, THR100C, THR125C, THR127C, THR97C, TYR136D, VAL154D, VAL161D
• C-F: ALA114C, ALA114F, ARG98C, ARG98F, ASN113C, ASN113F, ASN118C, ASN118F, ASN172C, ASN172F, ASP206C, ASP206F, GLN102C, GLN102F, GLN203C, GLN203F, GLN99C, GLN99F, GLY201C, GLY201F, GLY204C, GLY204F, HIS101C, HIS101F, ILE202C, ILE202F, LEU116C, LEU116F, PHE112F, SER205C, SER205F, SER207C, SER207F, THR100C, THR100F, THR117C, THR117F, THR125C, THR125F, THR147C, THR147F, THR95C, THR95F, THR97C, THR97F, VAL115C, VAL115F, VAL200C, VAL200F, VAL208C, VAL208F, VAL96C, VAL96F
• D-E: ALA174E, ALA210D, ALA94D, ALA97D, ARG100D, ARG159E, ARG92D, ARG99D, ASN117D, ASN152E, ASN156E, ASP169D, ASP172E, ASP211D, ASP223E, CYS154E, CYS171E, GLN118D, GLN142D, GLN146D, GLN177D, GLN179E, GLN90D, GLU119D, GLU209D, GLY139E, GLY174D, GLY181D, GLY183E, GLY184E, GLY216D, HIS146E, ILE115D, ILE219D, ILE98D, LEU140E, LEU144D, LEU153E, LEU157E, LEU175D, LEU187E, LEU189E, LEU218D, LEU220E, LYS166E, LYS173D, LYS188E, LYS202E, MET185E, PHE141D, PHE143E, PHE170E, PHE176D, PHE214D, PHE217D, PHE218E, PHE220D, PHE221E, PHE95D, PRO221D, PRO222E, PRO91D, PRO93D, SER145D, SER180D, SER208D, SER212D, SER215D, SER96D, THR113D, THR116D, THR140D, THR144E, THR169E, THR171D, THR177E, THR181E, THR182E, THR200E, TYR136D, TYR137D, TYR138D, TYR141E, TYR142E, TYR145E, TYR173E, TYR175E, TYR205D, VAL114D, VAL133D, VAL143D, VAL155E, VAL167E, VAL168E, VAL178D, VAL179D, VAL180E, VAL186E, VAL213D
• D-F: ALA114F, ALA144F, ARG163D, ARG98F, ASN118F, ASN172D, ASN172F, ASN175F, ASP169D, ASP198D, ASP206F, CYS150D, CYS168D, GLN120F, GLN142D, GLN173F, GLN177D, GLN186D, GLN203F, GLN91F, GLN99F, GLU148D, GLY135D, GLY166D, GLY177F, GLY181D, GLY182D, GLY201F, GLY204F, GLY211F, HIS143F, HIS146F, HIS167F, ILE149D, ILE153D, ILE202F, ILE219D, LEU116F, LEU151D, LEU165D, LEU175D, LEU180F, LEU185D, LEU213F, LEU214F, LEU218D, LYS170F, LYS173D, LYS201D, MET183D, PHE112F, PHE139D, PHE140F, PHE141D, PHE167D, PHE176D, PHE209F, PHE212F, PHE217D, PHE220D, PHE90F, PHE94F, PRO119F, PRO221D, SER145F, SER152D, SER164D, SER169F, SER176F, SER180D, SER205F, SER207F, SER210F, SER222D, SER92F, THR117F, THR140D, THR147F, THR168F, THR170D, THR171D, THR171F, THR95F, THR97F, TRP147D, TYR136D, TYR137D, TYR138D, TYR139F, TYR142F, VAL115F, VAL141F, VAL174F, VAL178D, VAL179D, VAL184D, VAL208F, VAL93F, VAL96F
• E-F: ALA144F, ALA147E, ALA174E, ALA211E, ALA96E, ALA99E, ARG101E, ARG150E, ARG156F, ARG182F, ASN121E, ASN123E, ASN149F, ASN175F, ASN176E, ASN194F, ASN212E, ASP172E, ASP217F, CYS151F, CYS165F, GLN173F, GLN179E, GLN93E, GLU209E, GLY136F, GLY166F, GLY177F, GLY178F, GLY183E, GLY184E, GLY207E, GLY210E, GLY217E, HIS117E, HIS143F, HIS146E, HIS146F, HIS167F, ILE119E, ILE214E, ILE95E, LEU137F, LEU140E, LEU150F, LEU153F, LEU154F, LEU180F, LEU181F, LEU206E, LEU213F, LEU214F, LEU219E, LEU220E, LYS160F, LYS94E, MET122E, MET208E, PHE115E, PHE140F, PHE143E, PHE164F, PHE178E, PHE212F, PHE215E, PHE215F, PHE218E, PHE221E, PHE97E, PRO135F, PRO216F, PRO222E, SER148E, SER149E, SER169F, SER176F, SER213E, SER216E, SER98E, THR100E, THR120E, THR144E, THR163F, THR168F, THR177E, THR181E, THR182E, THR92E, TYR138F, TYR139F, TYR141E, TYR142E, TYR142F, TYR145E, TYR173E, TYR196F, VAL141F, VAL152F, VAL161F, VAL162F, VAL174F, VAL179F, VAL180E