3UTZ

endogenous-like inhibitory antibodies targeting activated metalloproteinase motifs show therapeutic potential

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: D-C
  • Int. Res.: 177
  • Norm. En. per Res.: -2.6249
• Hub Node: B(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	-35.777	-5.7625	-456.226	-497.7654	190	16	12	18823	0	25	23
B-D	0.0	0.0	-2.9417	-2.9417	8	0	0	230	0	1	1
B-C	0.0	1.006	-20.3146	-19.3086	31	1	0	1164	0	5	7
B-E	0.0	0.0	-0.0601	-0.0601	5	0	0	20	0	0	2
B-F	-3.5366	1.7643	-95.7566	-97.5288	80	2	3	4939	0	10	12
D-C	-20.3453	-23.6431	-420.611	-464.5994	177	12	11	16845	1	23	19
D-E	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
D-F	0.0	0.0	-7.1886	-7.1886	19	0	0	512	0	1	1
C-E	0.0	0.0	-18.695	-18.695	26	1	0	998	0	1	1
C-F	-14.8542	55.0461	-99.4343	-59.2424	50	6	1	3819	0	12	11
E-F	-12.062	-11.3339	-430.031	-453.4269	184	13	12	16626	0	23	18

Interface residues

• A-B: ALA131B, ALA135A, ALA142B, ALA143B, ALA174B, ALA198A, ALA49B, ALA96A, ARG100B, ARG38B, ARG44B, ARG98B, ASN142A, ASN143A, ASN163A, ASN215A, ASN33A, ASN35A, ASN58A, ASP102B, ASP107B, ASP127A, ASP150B, ASP172A, ASP175A, ASP62B, CYS139A, CYS146B, CYS93A, CYS96B, GLN111B, GLN129A, GLN165A, GLN171A, GLN177B, GLN39B, GLN43A, GLN47A, GLN6A, GLN95A, GLU128A, GLU166A, GLU170A, GLU39A, GLU42B, GLU46B, GLU6B, GLY103B, GLY104A, GLY106A, GLY110B, GLY112B, GLY133A, GLY145B, GLY162A, GLY168B, GLY180B, GLY46A, HIS170B, HIS31A, ILE122A, ILE37B, ILE53A, LEU130A, LEU130B, LEU140A, LEU141A, LEU144B, LEU147B, LEU176B, LEU180A, LEU181B, LEU184A, LEU184B, LEU186A, LEU38A, LEU42A, LEU45B, LEU4B, LEU51A, LEU52A, LEU93B, LYS108A, LYS131A, LYS135B, LYS149B, LYS174A, LYS212A, LYS215B, LYS43B, LYS44A, LYS50A, LYS55A, MET4A, PHE103A, PHE106B, PHE121A, PHE123A, PHE128B, PHE144A, PHE172B, PHE214A, PHE37A, PHE60A, PHE94A, PHE99B, PRO100A, PRO101A, PRO124A, PRO125A, PRO129B, PRO132B, PRO173B, PRO45A, PRO49A, PRO61B, SER105A, SER119A, SER126A, SER126B, SER132A, SER133B, SER134B, SER136A, SER136B, SER164A, SER167A, SER167B, SER173A, SER178B, SER179A, SER179B, SER181A, SER182A, SER183B, SER185B, SER186B, SER213A, SER35B, SER48A, SER61A, SER63B, SER97A, THR102A, THR134A, THR137B, THR141B, THR169A, THR171B, THR177A, THR183A, THR185A, THR189B, THR211A, THR36A, THR50B, THR97B, TRP104B, TRP109B, TRP36B, TRP40A, TRP47B, TYR101B, TYR105B, TYR178A, TYR182B, TYR197A, TYR41A, TYR54A, TYR59B, TYR60B, TYR91A, TYR92A, TYR95B, VAL108B, VAL120A, VAL127B, VAL137A, VAL138A, VAL148B, VAL168A, VAL169B, VAL175B, VAL187B, VAL188B, VAL190B, VAL217B, VAL48B, VAL90A, VAL99A
• B-D: ALA75B, ARG76B, ASN74B, ASP73B, GLY62D, PHE60D, SER61D, VAL63D
• B-C: ALA164C, ALA23B, ARG100C, ARG67B, ARG76B, ARG98C, ASN161C, ASP107C, ASP73B, CYS22B, GLU1C, GLY163C, GLY26C, GLY66B, GLY8B, LEU165C, LEU20B, LEU79B, LYS19B, LYS3C, LYS65B, PHE27C, SER162C, SER21B, SER7B, SER84B, SER85B, THR78B, TYR80B, VAL108C, VAL2C
• B-E: GLN198B, LYS174E, SER173E, THR197B, THR199B
• B-F: ALA164B, ALA164F, ALA23B, ALA23F, ALA24B, ALA24F, ALA28B, ALA28F, ALA75B, ALA75F, ARG76B, ARG76F, ARG98F, ASN161B, ASN161F, ASN74B, ASN74F, ASN77B, ASN77F, ASP73B, ASP73F, CYS22B, CYS22F, GLN198B, GLN198F, GLU1B, GLU1F, GLU6B, GLU6F, GLY163F, GLY168F, GLY196B, GLY26B, GLY26F, LEU165B, LEU165F, LEU4B, LEU4F, LYS3B, LYS3F, PHE27B, PHE27F, PHE29B, PHE29F, PRO191B, PRO191F, SER162F, SER167B, SER167F, SER193B, SER194B, SER194F, SER21B, SER21F, SER25B, SER25F, SER30B, SER30F, SER7B, SER7F, THR166B, THR166F, THR189B, THR189F, THR197B, THR199B, THR31B, THR31F, THR78B, THR78F, TYR200B, TYR32B, TYR32F, TYR80F, VAL190B, VAL190F, VAL2B, VAL2F, VAL5B, VAL5F
• D-C: ALA131C, ALA135D, ALA142C, ALA143C, ALA174C, ALA49C, ALA96D, ARG100C, ARG147D, ARG38C, ARG44C, ARG98C, ASN142D, ASN143D, ASN163D, ASN35D, ASN58D, ASP102C, ASP107C, ASP127D, ASP150C, ASP172D, ASP175D, ASP62C, CYS139D, CYS146C, CYS93D, CYS96C, GLN111C, GLN129D, GLN165D, GLN171D, GLN177C, GLN39C, GLN43D, GLN47D, GLN95D, GLU128D, GLU166D, GLU170D, GLU39D, GLU42C, GLU46C, GLU6C, GLY103C, GLY104D, GLY106D, GLY110C, GLY112C, GLY139C, GLY145C, GLY162D, GLY168C, GLY46D, HIS170C, HIS98D, ILE122D, ILE37C, ILE53D, LEU130C, LEU130D, LEU140D, LEU141D, LEU144C, LEU147C, LEU176C, LEU180D, LEU184C, LEU184D, LEU186D, LEU38D, LEU42D, LEU45C, LEU51D, LEU52D, LEU93C, LYS108D, LYS131D, LYS149C, LYS174D, LYS215C, LYS43C, LYS50D, LYS55D, LYS65C, PHE103D, PHE106C, PHE121D, PHE123D, PHE128C, PHE144D, PHE172C, PHE214D, PHE37D, PHE60D, PHE94D, PHE99C, PRO100D, PRO101D, PRO124D, PRO125D, PRO129C, PRO132C, PRO173C, PRO49D, PRO61C, SER105D, SER119D, SER126C, SER126D, SER132D, SER133C, SER136D, SER138C, SER164D, SER167D, SER173D, SER178C, SER179C, SER179D, SER181D, SER182D, SER183C, SER185C, SER186C, SER187D, SER192C, SER35C, SER48D, SER61D, SER63C, SER97D, THR102D, THR134D, THR141C, THR169D, THR171C, THR177D, THR183D, THR185D, THR189C, THR36D, THR40C, THR50C, THR97C, TRP104C, TRP109C, TRP36C, TRP40D, TRP47C, TYR101C, TYR105C, TYR178D, TYR41D, TYR54D, TYR59C, TYR60C, TYR91D, TYR92D, TYR95C, VAL108C, VAL120D, VAL127C, VAL137D, VAL138D, VAL148C, VAL168D, VAL169C, VAL175C, VAL187C, VAL188C, VAL190C, VAL213C, VAL217C, VAL48C, VAL90D, VAL99D
• D-E: ASN33D, HIS31E
• D-F: ALA28F, ARG59D, ASN35D, ASN58D, ASN74F, GLY54F, GLY62D, LEU51D, PHE29F, PHE60D, SER30F, SER52F, SER53F, SER56F, SER61D, THR31F, TYR101F, TYR54D, TYR57F
• C-E: ALA28C, ALA75C, ARG59E, ASN35E, ASN58E, ASN74C, ASN77C, GLY54C, GLY55C, GLY62E, LEU51E, LYS55E, PHE29C, PHE60E, SER30C, SER52C, SER53C, SER61E, THR31C, TRP104C, TYR101C, TYR32C, TYR54E, TYR57C, TYR59C, VAL63E
• C-F: ALA28C, ALA28F, ARG100C, ARG100F, ARG98C, ARG98F, ASP102C, ASP102F, ASP107C, ASP107F, ASP33C, ASP33F, GLU1C, GLU1F, GLY103C, GLY103F, GLY26C, GLY26F, GLY54C, GLY54F, ILE51C, LYS72C, LYS72F, MET34C, PHE27C, PHE27F, PHE29C, PHE29F, PHE99C, PHE99F, SER30C, SER30F, SER52C, SER52F, SER53C, SER53F, THR31C, THR31F, TRP104C, TRP104F, TYR101C, TYR101F, TYR105C, TYR105F, TYR32C, TYR32F, VAL108C, VAL108F, VAL2C, VAL2F
• E-F: ALA131F, ALA135E, ALA142F, ALA143F, ALA174F, ALA49F, ALA96E, ARG100F, ARG147E, ARG38F, ARG44F, ARG59E, ARG98F, ASN142E, ASN143E, ASN163E, ASN35E, ASN58E, ASP102F, ASP107F, ASP127E, ASP150F, ASP172E, ASP175E, ASP62F, CYS139E, CYS146F, CYS93E, CYS96F, GLN111F, GLN129E, GLN165E, GLN171E, GLN177F, GLN39F, GLN43E, GLN47E, GLN6E, GLN95E, GLU128E, GLU166E, GLU170E, GLU39E, GLU42F, GLU46F, GLU6F, GLY103F, GLY104E, GLY106E, GLY110F, GLY112F, GLY133E, GLY140F, GLY145F, GLY162E, GLY168F, GLY46E, HIS170F, HIS31E, HIS98E, ILE122E, ILE37F, ILE53E, LEU130E, LEU130F, LEU140E, LEU141E, LEU144F, LEU147F, LEU176F, LEU180E, LEU181F, LEU184E, LEU184F, LEU38E, LEU42E, LEU45F, LEU51E, LEU52E, LEU93F, LEU9E, LYS108E, LYS131E, LYS149F, LYS174E, LYS212E, LYS215F, LYS43F, LYS44E, LYS50E, LYS55E, LYS65F, MET4E, PHE103E, PHE106F, PHE121E, PHE123E, PHE128F, PHE144E, PHE172F, PHE37E, PHE60E, PHE94E, PHE99F, PRO100E, PRO101E, PRO124E, PRO125E, PRO129F, PRO132F, PRO173F, PRO45E, PRO49E, PRO61F, SER105E, SER119E, SER126E, SER126F, SER132E, SER133F, SER136E, SER164E, SER167E, SER167F, SER173E, SER178F, SER179E, SER179F, SER181E, SER182E, SER183F, SER185F, SER186F, SER192F, SER35F, SER48E, SER61E, SER63F, SER97E, THR102E, THR134E, THR141F, THR169E, THR171F, THR177E, THR183E, THR185E, THR189F, THR36E, THR40F, THR50F, THR97F, TRP104F, TRP109F, TRP36F, TRP40E, TRP47F, TYR101F, TYR105F, TYR178E, TYR182F, TYR41E, TYR54E, TYR59F, TYR60F, TYR91E, TYR92E, TYR95F, VAL108F, VAL120E, VAL127F, VAL137E, VAL138E, VAL148F, VAL168E, VAL169F, VAL175F, VAL187F, VAL188F, VAL190F, VAL213F, VAL48F, VAL90E, VAL99E