2BR4

cmci-d160 mg-sam

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 145
  • Norm. En. per Res.: -4.961
• 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	-140.1413	-7.2105	-753.286	-900.6378	207	30	13	27729	16	66	61
A-D	0.0	2.3429	-0.0004	2.3425	4	0	0	1	0	3	3
A-E	-86.6303	-46.0881	-557.288	-690.0065	149	13	26	20333	4	26	27
B-C	-84.9487	-62.7113	-564.233	-711.893	144	18	24	20151	4	27	27
C-F	-121.5587	16.684	-743.844	-848.7187	209	29	13	27508	16	66	59
D-E	-130.9338	-36.1602	-760.595	-927.689	210	30	13	28006	16	68	60
D-F	-56.0861	-69.8619	-593.39	-719.338	145	16	26	20479	6	26	27

Interface residues

• A-B: ALA206A, ALA206B, ALA218A, ALA218B, ALA220A, ALA220B, ALA233A, ALA42A, ALA42B, ALA44A, ALA44B, ALA71A, ALA71B, ALA97A, ALA97B, ARG100A, ARG100B, ARG194A, ARG194B, ARG208A, ARG208B, ARG226A, ARG226B, ARG230A, ARG230B, ARG231A, ARG231B, ARG32A, ARG32B, ARG34A, ARG34B, ARG40A, ARG40B, ARG46A, ARG46B, ARG59A, ARG59B, ARG81A, ARG81B, ASN219A, ASN219B, ASP101A, ASP101B, ASP128A, ASP128B, ASP209A, ASP209B, ASP214A, ASP214B, ASP225A, ASP225B, ASP35A, ASP35B, ASP39A, ASP39B, ASP47A, ASP47B, ASP52A, ASP66A, ASP66B, ASP68A, ASP68B, ASP75A, ASP75B, GLN57A, GLN57B, GLN70A, GLN70B, GLU202A, GLU202B, GLU43A, GLU43B, GLU79A, GLU79B, GLY107A, GLY107B, GLY205A, GLY205B, GLY227A, GLY227B, GLY49A, GLY49B, GLY60A, GLY60B, HIS74A, HIS74B, ILE105A, ILE105B, ILE108A, ILE108B, ILE189A, ILE189B, LEU102A, LEU102B, LEU204A, LEU204B, LEU211A, LEU211B, LEU216A, LEU216B, LEU229A, LEU229B, LEU29A, LEU29B, LEU38A, LEU38B, LEU48A, LEU48B, LEU61A, LEU61B, LEU77A, LEU77B, LEU80A, LEU80B, LYS104A, LYS104B, LYS65B, MET106A, MET106B, MET169A, MET169B, MET213A, MET213B, MET215A, MET215B, MET63A, MET63B, MET76A, MET76B, PHE166A, PHE166B, PHE183A, PHE183B, PHE200A, PHE200B, PHE207A, PHE207B, PRO125B, PRO190A, PRO190B, PRO197A, PRO197B, PRO26A, PRO26B, PRO27A, PRO27B, PRO33A, PRO33B, PRO37A, PRO37B, PRO45A, PRO45B, PRO55A, PRO55B, PRO67A, PRO67B, SER201A, SER201B, SER212A, SER212B, SER221A, SER221B, SER222B, THR103A, THR103B, THR69A, THR69B, TRP192A, TRP192B, TRP36A, TRP36B, TRP41A, TRP41B, TRP58A, TRP58B, TRP78A, TRP78B, TRP98A, TRP98B, TYR182A, TYR182B, TYR191A, TYR191B, TYR193A, TYR193B, TYR203A, TYR203B, TYR217A, TYR217B, TYR24A, TYR24B, TYR50A, TYR50B, TYR56A, TYR56B, TYR73A, VAL173B, VAL210A, VAL210B, VAL228A, VAL228B, VAL232A, VAL232B, VAL28A, VAL28B, VAL72A, VAL72B
• A-D: ALA42D, ASP3A5, CB9.581589.37146, SER51A
• A-E: ALA161A, ALA161E, ALA163A, ALA163E, ALA172A, ALA172E, ALA196A, ALA196E, ALA206A, ALA206E, ARG16A, ARG16E, ARG194A, ARG194E, ARG208A, ARG208E, ARG231A, ARG231E, ARG62A, ARG62E, ARG6A, ARG6E, ASN13A, ASN13E, ASN164A, ASN164E, ASN167A, ASN167E, ASN2E, ASN8A, ASN8E, ASP11A, ASP11E, ASP174A, ASP174E, ASP187E, ASP209A, ASP209E, ASP21A, ASP21E, ASP3A, ASP3A5, ASP3E, ASP52A, ASP52E, CB7.4565247.13511, CB7.79421-107.58895, CB8.915629.07737, GLN198A, GLN198E, GLN7A, GLN7E, GLU202A, GLU202E, GLU20A, GLU20E, GLY17A, GLY17E, GLY19A, GLY19E, GLY205A, GLY205E, HIS162A, HIS162E, HIS175A, HIS175E, HIS25A, ILE168A, ILE168E, ILE185A, ILE185E, ILE189A, ILE189E, LEU10A, LEU10E, LEU12A, LEU12E, LEU142A, LEU142E, LEU14A, LEU14E, LEU18A, LEU18E, LEU199A, LEU199E, LEU204A, LEU204E, LEU211A, LEU211E, LEU48A, LEU64A, LYS170A, LYS170E, MET169A, MET169E, MET188A, MET188E, PHE15A, PHE15E, PHE166A, PHE166E, PHE200A, PHE200E, PHE207A, PHE207E, PHE53A, PHE53E, PHE9A, PHE9E, PRO190E, PRO197A, PRO197E, PRO55A, PRO55E, SER140A, SER140E, SER201A, SER201E, SER51A, SER51E, SER54A, SER54E, SER5A, SER5E, THR165A, THR165E, THR30A, TRP171A, TRP171E, TRP192A, TRP192E, TYR191A, TYR191E, TYR193A, TYR193E, TYR195A, TYR195E, TYR203A, TYR203E, TYR4A, TYR4E, TYR50A, TYR56A, TYR56E, VAL173A, VAL173E, VAL210A, VAL210E, VAL28A
• B-C: ALA161B, ALA161C, ALA163B, ALA163C, ALA172B, ALA172C, ALA196B, ALA196C, ALA206B, ALA206C, ALA234B, ARG16B, ARG16C, ARG194B, ARG194C, ARG208B, ARG208C, ARG231B, ARG231C, ARG62B, ARG62C, ARG6B, ARG6C, ASN13B, ASN13C, ASN164B, ASN164C, ASN167B, ASN167C, ASN2C, ASN8B, ASN8C, ASP11B, ASP11C, ASP159B, ASP159C, ASP174B, ASP174C, ASP187B, ASP209B, ASP209C, ASP21B, ASP21C, ASP3B, ASP3C, ASP52B, ASP52C, GLN198B, GLN198C, GLN7B, GLN7C, GLU202B, GLU202C, GLU20B, GLU20C, GLY17B, GLY17C, GLY19B, GLY19C, GLY205B, GLY205C, HIS162B, HIS162C, HIS175B, HIS175C, HIS25B, ILE168B, ILE168C, ILE185B, ILE185C, ILE189B, ILE189C, LEU10B, LEU10C, LEU12B, LEU12C, LEU142B, LEU142C, LEU14B, LEU14C, LEU18B, LEU18C, LEU199B, LEU199C, LEU204B, LEU204C, LEU211B, LEU211C, LYS170B, LYS170C, MET169B, MET169C, MET188B, MET188C, PHE15B, PHE15C, PHE166B, PHE166C, PHE200B, PHE200C, PHE207B, PHE207C, PHE53B, PHE53C, PHE9B, PHE9C, PRO190B, PRO197B, PRO197C, PRO55B, PRO55C, SER140B, SER140C, SER201B, SER201C, SER51B, SER51C, SER54B, SER54C, SER5B, SER5C, THR165B, THR165C, TRP171B, TRP171C, TRP192B, TRP192C, TYR191B, TYR191C, TYR193B, TYR193C, TYR195B, TYR195C, TYR203B, TYR203C, TYR4B, TYR4C, TYR56B, TYR56C, VAL173B, VAL173C, VAL210B, VAL210C, VAL28B
• C-F: ALA206C, ALA206F, ALA218C, ALA218F, ALA220C, ALA220F, ALA42C, ALA42F, ALA44C, ALA44F, ALA71C, ALA71F, ALA97C, ALA97F, ARG100C, ARG100F, ARG194C, ARG194F, ARG208C, ARG208F, ARG226C, ARG226F, ARG230C, ARG230F, ARG231C, ARG231F, ARG32C, ARG32F, ARG34C, ARG34F, ARG40C, ARG40F, ARG46C, ARG46F, ARG59C, ARG59F, ARG81C, ARG81F, ASN219C, ASN219F, ASP101C, ASP101F, ASP128C, ASP128F, ASP209C, ASP209F, ASP214C, ASP214F, ASP225C, ASP225F, ASP31F, ASP35C, ASP35F, ASP39C, ASP39F, ASP47C, ASP47F, ASP66C, ASP66F, ASP68C, ASP68F, ASP75C, ASP75F, GLN57C, GLN57F, GLN70C, GLN70F, GLU202C, GLU202F, GLU43C, GLU43F, GLU79C, GLU79F, GLY107C, GLY107F, GLY180C, GLY205C, GLY205F, GLY227C, GLY227F, GLY49C, GLY49F, GLY60C, GLY60F, HIS74C, HIS74F, ILE105C, ILE105F, ILE108C, ILE108F, ILE185C, ILE185F, ILE189C, ILE189F, LEU102C, LEU102F, LEU204C, LEU204F, LEU211C, LEU211F, LEU216C, LEU216F, LEU229C, LEU229F, LEU29C, LEU29F, LEU38C, LEU38F, LEU48C, LEU48F, LEU61C, LEU61F, LEU77C, LEU77F, LEU80C, LEU80F, LYS104C, LYS104F, LYS65C, MET106C, MET106F, MET169C, MET169F, MET213C, MET213F, MET215C, MET215F, MET63C, MET63F, MET76C, MET76F, PHE166C, PHE166F, PHE183C, PHE183F, PHE200C, PHE200F, PHE207C, PHE207F, PRO125C, PRO125F, PRO190C, PRO190F, PRO197C, PRO197F, PRO26C, PRO26F, PRO27C, PRO27F, PRO33C, PRO33F, PRO37C, PRO37F, PRO45C, PRO45F, PRO55C, PRO55F, PRO67C, PRO67F, SER201C, SER201F, SER212C, SER212F, SER221C, SER221F, SER222C, THR103C, THR103F, THR69C, THR69F, TRP192C, TRP192F, TRP36C, TRP36F, TRP41C, TRP41F, TRP58C, TRP58F, TRP78C, TRP78F, TRP98C, TRP98F, TYR182C, TYR182F, TYR191C, TYR191F, TYR193C, TYR193F, TYR203C, TYR203F, TYR217C, TYR217F, TYR24C, TYR24F, TYR50C, TYR50F, TYR56C, TYR56F, TYR73C, VAL210C, VAL210F, VAL228C, VAL228F, VAL232C, VAL232F, VAL28C, VAL28F, VAL72C, VAL72F
• D-E: ALA206D, ALA206E, ALA218D, ALA218E, ALA220D, ALA220E, ALA233E, ALA234E, ALA42D, ALA42E, ALA44D, ALA44E, ALA71D, ALA71E, ALA97D, ALA97E, ARG100D, ARG100E, ARG194D, ARG194E, ARG208D, ARG208E, ARG226D, ARG226E, ARG230D, ARG230E, ARG231D, ARG32D, ARG32E, ARG34D, ARG34E, ARG40D, ARG40E, ARG46D, ARG46E, ARG59D, ARG59E, ARG81D, ASN219D, ASN219E, ASP101D, ASP101E, ASP128D, ASP128E, ASP209D, ASP209E, ASP214D, ASP214E, ASP225D, ASP225E, ASP35D, ASP35E, ASP39D, ASP39E, ASP47D, ASP47E, ASP66D, ASP66E, ASP68D, ASP68E, ASP75D, ASP75E, GLN57D, GLN57E, GLN70D, GLN70E, GLU202D, GLU202E, GLU43D, GLU43E, GLU79D, GLU79E, GLY107D, GLY107E, GLY180E, GLY205D, GLY205E, GLY227D, GLY227E, GLY49D, GLY49E, GLY60D, GLY60E, HIS74D, HIS74E, ILE105D, ILE105E, ILE108D, ILE108E, ILE185D, ILE185E, ILE189D, ILE189E, LEU102D, LEU102E, LEU204D, LEU204E, LEU211D, LEU211E, LEU216D, LEU216E, LEU229D, LEU229E, LEU29D, LEU29E, LEU38D, LEU38E, LEU48D, LEU48E, LEU61D, LEU61E, LEU77D, LEU77E, LEU80D, LEU80E, LYS104D, LYS104E, LYS65D, MET106D, MET106E, MET169D, MET169E, MET213D, MET213E, MET215D, MET215E, MET63D, MET63E, MET76D, MET76E, PHE166D, PHE166E, PHE183D, PHE183E, PHE200D, PHE200E, PHE207D, PHE207E, PRO125D, PRO125E, PRO190D, PRO190E, PRO197D, PRO197E, PRO26D, PRO26E, PRO27D, PRO27E, PRO33D, PRO33E, PRO37D, PRO37E, PRO45D, PRO45E, PRO55D, PRO55E, PRO67D, PRO67E, SER201D, SER201E, SER212D, SER212E, SER221D, SER221E, SER222D, SER222E, THR103D, THR103E, THR30D, THR69D, THR69E, TRP192D, TRP192E, TRP36D, TRP36E, TRP41D, TRP41E, TRP58D, TRP58E, TRP78D, TRP78E, TRP98D, TRP98E, TYR182D, TYR182E, TYR191D, TYR191E, TYR193D, TYR193E, TYR203D, TYR203E, TYR217D, TYR217E, TYR24D, TYR24E, TYR50D, TYR50E, TYR56D, TYR56E, TYR73D, TYR73E, VAL210D, VAL210E, VAL228D, VAL228E, VAL232E, VAL28D, VAL28E, VAL72D, VAL72E
• D-F: ALA161D, ALA161F, ALA163D, ALA163F, ALA172D, ALA172F, ALA196D, ALA196F, ALA206D, ALA206F, ARG16D, ARG16F, ARG194D, ARG194F, ARG208D, ARG208F, ARG231F, ARG62D, ARG62F, ARG6D, ARG6F, ASN13D, ASN13F, ASN164D, ASN164F, ASN167D, ASN167F, ASN2D, ASN2F, ASN8D, ASN8F, ASP11D, ASP11F, ASP174D, ASP174F, ASP187D, ASP187F, ASP209D, ASP209F, ASP21D, ASP21F, ASP3D, ASP3F, ASP52D, ASP52F, GLN198D, GLN198F, GLN7D, GLN7F, GLU202D, GLU202F, GLU20D, GLU20F, GLY17D, GLY17F, GLY19D, GLY19F, GLY205D, GLY205F, HIS162D, HIS162F, HIS175D, HIS175F, HIS25F, ILE168D, ILE168F, ILE185D, ILE185F, ILE189D, ILE189F, LEU10D, LEU10F, LEU12D, LEU12F, LEU142D, LEU142F, LEU14D, LEU14F, LEU177D, LEU18D, LEU18F, LEU199D, LEU199F, LEU204D, LEU204F, LEU211D, LEU211F, LYS170D, LYS170F, MET169D, MET169F, MET188D, MET188F, PHE15D, PHE15F, PHE166D, PHE166F, PHE200D, PHE200F, PHE207D, PHE207F, PHE53D, PHE53F, PHE9D, PHE9F, PRO190D, PRO190F, PRO197D, PRO197F, PRO55D, PRO55F, SER140D, SER140F, SER201D, SER201F, SER51D, SER51F, SER54D, SER54F, SER5D, SER5F, THR165D, THR165F, THR30F, TRP171D, TRP171F, TRP192D, TRP192F, TYR191D, TYR191F, TYR193D, TYR193F, TYR195D, TYR195F, TYR203D, TYR203F, TYR4D, TYR4F, TYR56D, TYR56F, VAL173D, VAL173F, VAL210D, VAL210F, VAL28F