2R6C

crystal form bh2

• Total interactions analyzed: 36
• Total true interactions: 15
• Strongest Interaction:
  • Chains: A-G
  • Int. Res.: 63
  • Norm. En. per Res.: -2.877
• 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	-18.1266	-44.5261	-131.988	-194.6406	120	22	7	6971	6	40	39
A-D	-2.6893	-13.6432	-236.094	-252.4264	137	11	22	12524	4	60	55
A-G	-25.5156	-18.9423	-136.791	-181.2489	63	17	17	6409	3	28	14
B-D	0.0	26.2336	-15.8377	10.3958	16	0	0	599	0	10	12
B-E	-4.9695	-15.0646	-224.982	-245.016	137	6	22	12040	4	59	55
B-F	0.0	26.3748	-18.1473	8.2275	17	0	0	594	0	10	11
B-G	-13.6759	0.0	-115.02	-128.6959	61	9	4	5082	0	8	9
C-D	-22.7201	-52.5737	-139.919	-215.2128	105	35	6	7255	4	42	40
C-F	-4.6716	-17.0369	-236.543	-258.2514	142	5	19	12251	6	65	60
C-H	-25.2478	-19.674	-117.793	-162.7148	59	15	15	6027	3	25	13
D-F	0.0	29.5696	-16.288	13.2816	16	0	0	626	0	10	12
D-H	-15.8257	0.0	-123.547	-139.3727	62	7	4	5191	0	9	9
E-F	-15.928	-31.9717	-182.445	-230.3446	134	19	7	8218	4	44	44
E-I	-16.3858	-20.7871	-109.4	-146.5729	61	14	15	6096	3	29	15
F-I	-8.4946	0.0	-116.806	-125.3006	60	6	4	4973	0	9	9

Interface residues

• A-B: ALA100A, ALA16A, ALA19A, ALA244A, ALA29B, ALA303A, ALA30B, ALA348A, ALA34B, ALA59B, ALA72B, ALA75B, ALA76B, ALA95A, ARG107A, ARG107B, ARG264A, ARG297A, ARG302A, ARG306A, ARG307A, ARG344A, ARG344B, ARG351A, ARG351B, ARG381A, ARG420B, ARG57B, ARG61B, ASN101A, ASN421B, ASP292A, ASP300A, ASP389A, ASP389B, ASP60B, ASP66B, GLN18A, GLN245A, GLN246A, GLN388A, GLN388B, GLN419B, GLU103A, GLU103B, GLU111A, GLU15A, GLU17A, GLU241A, GLU338A, GLU341A, GLU352A, GLU36B, GLU63B, GLU73B, GLU78B, GLY266A, GLY422B, GLY425B, GLY62B, ILE108A, ILE301A, ILE342A, ILE37B, ILE39B, LEU240A, LEU263A, LEU26B, LEU31B, LEU324A, LEU346A, LEU349A, LEU38B, LEU56B, LEU67B, LEU74B, LEU80B, LEU89B, LYS112A, LYS267A, LYS347A, LYS347B, LYS418B, MET242A, MET249A, MET55B, PHE25B, PRO28B, PRO294A, PRO33B, PRO423B, PRO64B, PRO97A, SER243A, SER299A, SER340A, SER345A, SER35B, SER385A, SER77B, SER90B, THR265A, THR293A, THR69B, THR71B, THR98A, TYR104A, TYR105A, VAL102A, VAL109A, VAL20A, VAL298A, VAL32B, VAL424B, VAL58B, VAL65B, VAL68B, VAL70B, VAL86B, VAL96A
• A-D: ALA122A, ALA122D, ALA126A, ALA126D, ALA143A, ALA143D, ALA303D, ALA417A, ARG107A, ARG107D, ARG116A, ARG116D, ARG117A, ARG117D, ARG120A, ARG120D, ARG132A, ARG132D, ARG145A, ARG145D, ARG250D, ARG264D, ARG302D, ARG306D, ARG307D, ARG374A, ARG381A, ASN262D, ASP128A, ASP128D, ASP134A, ASP134D, ASP137A, ASP137D, ASP141A, ASP141D, ASP144A, ASP144D, ASP292D, ASP300D, ASP379A, GLN127A, GLN127D, GLN245D, GLN246D, GLN310D, GLN362D, GLN388A, GLN428A, GLU110A, GLU110D, GLU111A, GLU111D, GLU133A, GLU133D, GLU135A, GLU135D, GLU142A, GLU142D, GLU149A, GLU149D, GLU192A, GLU241D, GLU352D, GLU382A, GLU387A, GLU413A, GLY129A, GLY129D, GLY266D, GLY425A, ILE108A, ILE108D, ILE119A, ILE119D, ILE125A, ILE125D, ILE136A, ILE136D, ILE147A, ILE147D, ILE415A, LEU115A, LEU115D, LEU118A, LEU118D, LEU139A, LEU139D, LEU140A, LEU140D, LEU240D, LEU263D, LEU324D, LYS112A, LYS112D, LYS146A, LYS146D, LYS267D, MET148A, MET148D, MET196A, MET242D, MET376A, MET377A, PRO212D, PRO294D, PRO375A, PRO423A, SER113A, SER113D, SER124A, SER124D, SER213D, SER239D, SER243D, SER295D, SER299D, SER378A, THR121A, THR121D, THR123A, THR123D, THR131A, THR131D, THR217D, THR265D, THR426A, TYR130A, TYR130D, TYR321D, TYR397A, VAL114A, VAL114D, VAL138A, VAL138D, VAL424A, VAL427A
• A-G: ALA23A, ALA571G, ALA580G, ALA581G, ALA584G, ALA72A, ALA75A, ALA76A, ALA93A, ALA95A, ALA99A, ARG573G, ARG582G, ASP27A, ASP576G, ASP66A, ASP94A, GLN310A, GLU542G, GLU565G, GLU572G, GLU586G, GLU589G, GLU73A, GLU81A, GLU91A, GLY22A, GLY84A, GLY85A, ILE583G, ILE588G, LEU26A, LEU561G, LEU578G, LEU67A, LEU80A, LEU89A, LEU92A, LYS568G, LYS575G, LYS585G, LYS591G, LYS592G, PHE25A, PHE577G, PRO28A, PRO64A, PRO97A, SER87A, SER90A, THR569G, THR579G, THR69A, THR71A, THR98A, TRP558G, TYR88A, VAL24A, VAL65A, VAL68A, VAL70A, VAL86A, VAL96A
• B-D: ALA72B, ALA75B, ALA76B, ARG132D, ARG57B, ARG61B, ASP134D, GLN79B, GLU133D, GLU135D, GLU73B, GLU78B, ILE136D, SER77B, THR131D, TYR130D
• B-E: ALA122B, ALA122E, ALA126B, ALA126E, ALA143B, ALA143E, ALA244B, ALA303B, ALA417E, ARG107B, ARG107E, ARG116B, ARG116E, ARG117B, ARG117E, ARG120B, ARG120E, ARG132B, ARG132E, ARG145B, ARG145E, ARG195E, ARG250B, ARG264B, ARG302B, ARG306B, ARG307B, ARG374E, ARG381E, ASN262B, ASP128B, ASP128E, ASP134B, ASP134E, ASP137B, ASP137E, ASP141B, ASP141E, ASP144B, ASP144E, ASP292B, ASP300B, ASP379E, GLN127B, GLN127E, GLN245B, GLN246B, GLN310B, GLN428E, GLU110B, GLU110E, GLU111B, GLU111E, GLU133B, GLU133E, GLU135B, GLU135E, GLU142B, GLU142E, GLU149B, GLU149E, GLU192E, GLU241B, GLU352B, GLU382E, GLU387E, GLU413E, GLY129B, GLY129E, GLY266B, GLY425E, ILE108B, ILE108E, ILE119B, ILE119E, ILE125B, ILE125E, ILE136B, ILE136E, ILE147B, ILE147E, ILE415E, LEU115B, LEU115E, LEU118B, LEU118E, LEU139B, LEU139E, LEU140B, LEU140E, LEU240B, LEU263B, LEU324B, LYS112B, LYS112E, LYS146B, LYS146E, LYS267B, MET148B, MET148E, MET196E, MET242B, MET249B, MET376E, MET377E, PRO212B, PRO294B, PRO375E, PRO423E, SER113B, SER113E, SER124B, SER124E, SER213B, SER239B, SER243B, SER295B, SER299B, SER378E, THR121B, THR121E, THR123B, THR123E, THR131B, THR131E, THR217B, THR265B, THR426E, TYR130B, TYR130E, TYR321B, TYR397E, VAL114B, VAL114E, VAL138B, VAL424E, VAL427E
• B-F: ALA72F, ALA75F, ALA76F, ARG132B, ARG57F, ARG61F, ASP134B, GLN79F, GLU133B, GLU135B, GLU73F, GLU78F, ILE136B, LEU74F, SER77F, THR131B, TYR130B
• B-G: ALA100B, ALA16B, ALA19B, ALA459G, ALA463G, ALA537G, ALA93B, ALA95B, ALA99B, ARG45B, ARG465G, ARG550G, ASN101B, ASN462G, ASP538G, ASP539G, ASP547G, ASP94B, GLN18B, GLN461G, GLN543G, GLU15B, GLU17B, GLU464G, GLU542G, GLU544G, GLU546G, GLU91B, GLY22B, HIS470G, HIS48B, HIS551G, ILE108B, ILE536G, ILE549G, LEU21B, LEU26B, LEU456G, LEU457G, LEU466G, LEU534G, LEU535G, LEU545G, LEU89B, LEU92B, LYS112B, PHE460G, PRO458G, PRO97B, SER541G, SER87B, SER90B, THR98B, TYR104B, TYR105B, TYR548G, TYR88B, VAL102B, VAL540G, VAL552G, VAL96B
• C-D: ALA100C, ALA16C, ALA19C, ALA29D, ALA303C, ALA30D, ALA348C, ALA34D, ALA59D, ALA72D, ALA75D, ALA76D, ALA95C, ARG107C, ARG107D, ARG264C, ARG297C, ARG302C, ARG306C, ARG307C, ARG344C, ARG351C, ARG381D, ARG420D, ARG57D, ARG61D, ASN101C, ASP300C, ASP60D, ASP66D, CYS305C, GLN18C, GLN245C, GLN310C, GLN388D, GLU103C, GLU103D, GLU111C, GLU15C, GLU17C, GLU341C, GLU352C, GLU36D, GLU387D, GLU63D, GLU73D, GLU78D, GLY266C, GLY425D, GLY62D, ILE108C, ILE342C, ILE37D, ILE39D, LEU115C, LEU26D, LEU31D, LEU346C, LEU349C, LEU353C, LEU56D, LEU67D, LEU74D, LEU80D, LEU89D, LYS112C, LYS267C, LYS304C, LYS347C, LYS418D, MET196D, PHE25D, PRO28D, PRO294C, PRO33D, PRO423D, PRO64D, PRO97C, SER243C, SER299C, SER340C, SER343C, SER345C, SER35D, SER77D, SER90D, THR265C, THR426D, THR69D, THR71D, THR98C, TYR104C, TYR105C, VAL102C, VAL109C, VAL20C, VAL298C, VAL32D, VAL424D, VAL58D, VAL65D, VAL68D, VAL70D, VAL86D, VAL96C
• C-F: ALA122C, ALA122F, ALA126C, ALA126F, ALA143C, ALA143F, ALA244F, ALA303F, ALA417C, ARG107C, ARG107F, ARG116C, ARG116F, ARG117C, ARG117F, ARG120C, ARG120F, ARG132C, ARG132F, ARG145C, ARG145F, ARG250F, ARG264F, ARG297F, ARG306F, ARG307F, ARG344C, ARG374C, ARG381C, ASN262F, ASP128C, ASP128F, ASP134C, ASP134F, ASP137C, ASP137F, ASP141C, ASP141F, ASP144C, ASP144F, ASP292F, ASP300F, ASP379C, GLN127C, GLN127F, GLN245F, GLN246F, GLN323F, GLN326F, GLN362F, GLN388C, GLN428C, GLU110C, GLU110F, GLU111C, GLU111F, GLU133C, GLU133F, GLU135C, GLU135F, GLU142C, GLU142F, GLU149C, GLU149F, GLU192C, GLU241F, GLU382C, GLU387C, GLU413C, GLY129C, GLY129F, GLY266F, GLY425C, ILE108C, ILE108F, ILE119C, ILE119F, ILE125C, ILE125F, ILE136C, ILE136F, ILE147C, ILE147F, ILE415C, LEU115C, LEU115F, LEU118C, LEU118F, LEU139C, LEU139F, LEU140C, LEU140F, LEU240F, LEU263F, LEU324F, LYS112C, LYS112F, LYS146C, LYS146F, LYS418C, MET148C, MET148F, MET196C, MET242F, MET249F, MET376C, MET377C, PHE395C, PRO212F, PRO294F, PRO375C, PRO423C, SER113C, SER113F, SER124C, SER124F, SER213F, SER239F, SER243F, SER295F, SER299F, SER378C, SER385C, THR121C, THR121F, THR123C, THR123F, THR131C, THR131F, THR217F, THR265F, THR293F, THR426C, TYR130C, TYR130F, TYR321F, TYR397C, VAL114C, VAL114F, VAL138F, VAL424C, VAL427C
• C-H: ALA23C, ALA571H, ALA580H, ALA581H, ALA584H, ALA72C, ALA75C, ALA93C, ALA95C, ALA99C, ARG573H, ARG582H, ASP27C, ASP576H, ASP66C, ASP94C, GLU565H, GLU572H, GLU586H, GLU589H, GLU73C, GLU81C, GLU91C, GLY22C, GLY84C, GLY85C, ILE583H, ILE588H, LEU26C, LEU561H, LEU578H, LEU67C, LEU80C, LEU89C, LEU92C, LYS568H, LYS575H, LYS585H, LYS591H, LYS592H, PHE25C, PHE577H, PRO28C, PRO64C, PRO97C, SER87C, SER90C, THR569H, THR579H, THR69C, THR71C, THR98C, TRP558H, TYR88C, VAL65C, VAL68C, VAL70C, VAL86C, VAL96C
• D-F: ALA72D, ALA75D, ALA76D, ARG132F, ARG57D, ARG61D, ASP134F, GLN79D, GLU133F, GLU135F, GLU73D, GLU78D, ILE136F, SER77D, THR131F, TYR130F
• D-H: ALA100D, ALA16D, ALA19D, ALA459H, ALA463H, ALA537H, ALA93D, ALA95D, ALA99D, ARG45D, ARG465H, ARG550H, ASN101D, ASN462H, ASP538H, ASP539H, ASP547H, ASP94D, GLN18D, GLN461H, GLN543H, GLU15D, GLU17D, GLU464H, GLU542H, GLU544H, GLU546H, GLU91D, GLY22D, HIS470H, HIS48D, HIS551H, ILE108D, ILE536H, ILE549H, LEU21D, LEU26D, LEU456H, LEU457H, LEU466H, LEU467H, LEU534H, LEU535H, LEU545H, LEU89D, LEU92D, LYS112D, PHE460H, PRO458H, PRO97D, SER541H, SER87D, SER90D, THR98D, TYR104D, TYR105D, TYR548H, TYR88D, VAL102D, VAL540H, VAL552H, VAL96D
• E-F: ALA100E, ALA16E, ALA19E, ALA244E, ALA29F, ALA303E, ALA30F, ALA348E, ALA390F, ALA417F, ALA59F, ALA72F, ALA75F, ALA76F, ALA93F, ALA95E, ARG107E, ARG107F, ARG264E, ARG297E, ARG302E, ARG306E, ARG307E, ARG344E, ARG344F, ARG351E, ARG351F, ARG381E, ARG381F, ARG420F, ARG57F, ARG61F, ASN101E, ASN421F, ASP27F, ASP292E, ASP300E, ASP389E, ASP389F, ASP391F, ASP60F, ASP66F, GLN18E, GLN245E, GLN246E, GLN326E, GLN388E, GLN388F, GLN419F, GLU103E, GLU103F, GLU111E, GLU15E, GLU17E, GLU241E, GLU338E, GLU341E, GLU352E, GLU36F, GLU387F, GLU63F, GLU73F, GLU78F, GLY266E, GLY422F, GLY425F, GLY62F, ILE108E, ILE342E, ILE37F, ILE386F, LEU240E, LEU263E, LEU26F, LEU31F, LEU324E, LEU346E, LEU349E, LEU56F, LEU67F, LEU80F, LEU89F, LYS112E, LYS267E, LYS347E, LYS347F, LYS418F, MET196F, MET242E, MET249E, MET377F, MET55F, PHE25F, PRO28F, PRO294E, PRO33F, PRO423F, PRO64F, PRO97E, SER239E, SER243E, SER295E, SER299E, SER340E, SER340F, SER343F, SER345E, SER35F, SER385E, SER385F, SER77F, SER90F, THR265E, THR293E, THR426F, THR69F, THR71F, THR98E, TYR104E, TYR105E, TYR321E, VAL102E, VAL102F, VAL109E, VAL20E, VAL298E, VAL32F, VAL424F, VAL58F, VAL65F, VAL68F, VAL70F, VAL86F, VAL96E
• E-I: ALA571I, ALA580I, ALA581I, ALA584I, ALA72E, ALA75E, ALA76E, ALA93E, ALA95E, ALA99E, ARG582I, ASP27E, ASP576I, ASP66E, ASP94E, GLN310E, GLU542I, GLU565I, GLU572I, GLU586I, GLU589I, GLU73E, GLU81E, GLU91E, GLY22E, GLY84E, GLY85E, ILE583I, ILE588I, LEU26E, LEU561I, LEU578I, LEU67E, LEU80E, LEU89E, LEU92E, LYS568I, LYS575I, LYS585I, LYS591I, LYS592I, PHE25E, PHE577I, PRO28E, PRO64E, PRO97E, SER87E, SER90E, THR569I, THR579I, THR69E, THR71E, THR98E, TRP558I, TYR88E, VAL24E, VAL65E, VAL68E, VAL70E, VAL86E, VAL96E
• F-I: ALA100F, ALA16F, ALA19F, ALA459I, ALA463I, ALA537I, ALA93F, ALA95F, ALA99F, ARG45F, ARG465I, ARG550I, ASN101F, ASN462I, ASP538I, ASP539I, ASP547I, ASP94F, GLN18F, GLN461I, GLN543I, GLU15F, GLU17F, GLU464I, GLU542I, GLU544I, GLU546I, GLU91F, GLY22F, HIS470I, HIS48F, HIS551I, ILE108F, ILE536I, ILE549I, LEU26F, LEU456I, LEU457I, LEU466I, LEU467I, LEU534I, LEU535I, LEU545I, LEU92F, LYS112F, PHE460I, PRO458I, PRO97F, SER541I, SER87F, SER90F, THR98F, TYR104F, TYR105F, TYR548I, TYR88F, VAL102F, VAL540I, VAL552I, VAL96F