1YYF

correction of x-ray intensities from an hslv-hslu co- crystal containing lattice translocation defects

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 205
  • Norm. En. per Res.: -2.7016
• 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	-45.0757	-123.5814	-385.176	-553.8331	205	58	6	19887	12	120	96
A-D	-22.9282	-26.9711	-54.0864	-103.9857	51	4	1	2517	4	21	21
A-C	0.0	0.0	-0.0504	-0.0504	5	0	0	9	0	9	5
B-D	0.0	0.0	-0.2642	-0.2642	10	0	0	82	0	9	7
B-C	-12.1524	-26.5457	-62.3487	-101.0468	49	2	1	2656	5	25	25
D-C	-17.1284	-34.3494	-161.791	-213.2688	89	5	4	7717	2	25	25

Interface residues

• A-B: ALA106A, ALA28B, ALA309B, ALA30B, ALA313B, ALA349A, ALA357A, ALA360A, ALA410A, ALA83A, ARG112A, ARG214A, ARG25B, ARG264B, ARG274A, ARG274B, ARG279B, ARG325B, ARG329B, ARG32B, ARG34B, ARG36B, ARG37B, ARG393A, ARG394A, ARG401A, ARG440A, ARG45B, ARG68A, ARG69A, ARG7B, ASN22B, ASN33B, ASN348A, ASN384A, ASN389A, ASN41B, ASN52B, ASP102A, ASP105A, ASP21B, ASP256A, ASP259A, ASP271B, ASP280B, ASP300B, ASP317B, ASP409A, ASP412A, ASP437A, ASP97B, CYS288B, GLN241B, GLN278B, GLN311B, GLN323B, GLN354A, GLN39B, GLU117A, GLU227A, GLU237B, GLU248B, GLU257A, GLU275B, GLU286B, GLU321B, GLU331B, GLU362A, GLU388A, GLU3B, GLU400A, GLU404A, GLU405A, GLU42B, GLU436A, GLU43B, GLU47B, GLU65A, GLU82A, GLU88A, GLU88B, GLU8B, GLU95B, GLY276B, GLY287B, GLY308B, GLY324B, GLY363A, GLY391A, GLY57B, GLY60A, GLY90A, GLY90B, GLY93A, GLY93B, HIS16A, HIS396A, HIS46B, ILE29B, ILE312A, ILE319B, ILE328B, ILE351A, ILE366A, ILE390A, ILE406A, ILE442A, ILE53B, ILE56B, ILE79A, ILE9B, LEU281B, LEU282B, LEU318B, LEU322B, LEU326B, LEU358A, LEU395A, LEU399A, LEU40B, LEU413A, LEU432A, LEU438A, LEU443A, LEU44B, LEU54B, LYS109A, LYS223A, LYS24B, LYS260A, LYS293A, LYS298B, LYS314B, LYS356A, LYS51B, LYS63A, LYS72A, LYS80A, LYS85A, LYS94A, LYS94B, MET110A, MET296B, MET359A, MET38B, MET403A, MET4B, PHE310B, PHE441A, PHE86B, PRO236B, PRO270A, PRO283B, PRO315B, PRO320B, PRO327B, PRO50B, PRO6B, SER11B, SER267A, SER268A, SER26B, SER273B, SER291B, SER316B, SER350A, SER407A, SER411A, SER439A, THR289B, THR361A, THR387A, THR397A, THR49B, THR59A, THR5B, THR64A, THR84A, THR87A, THR87B, TRP35B, TYR355A, TYR408A, TYR91A, TYR91B, VAL108A, VAL10B, VAL113A, VAL234B, VAL272B, VAL277B, VAL290B, VAL297B, VAL330B, VAL353A, VAL364A, VAL383A, VAL398A, VAL48B, VAL81A, VAL89A, VAL89B, VAL92A, VAL92B, VAL96B
• A-D: ALA309A, ALA313A, ALA334A, ALA69D, ARG264A, ARG440A, ARG80D, ASN384A, ASN389A, ASN75D, ASN77D, ASP92D, GLN311A, GLU266A, GLU385A, GLU388A, GLU436A, GLU65D, GLU68D, GLU72D, GLU73D, GLU84D, GLU88D, GLY265A, GLY269A, GLY391A, GLY76D, ILE312A, LEU335A, LEU63D, LEU71D, LEU95D, LYS314A, LYS66D, LYS70D, LYS93D, PHE310A, PHE61D, PHE64D, PRO58A, SER267A, SER268A, SER386A, SER91D, THR387A, THR59A, THR62D, TRP381A, TRP89D, TYR74D, VAL94D
• A-C: ARG440A, GLU436A, GLU72C, PHE441A, PHE61C
• B-D: ARG264B, ARG80D, ARG90D, GLU266B, GLU84D, GLY265B, LYS314B, LYS87D, SER316B, SER91D
• B-C: ALA309B, ALA313B, ALA334B, ALA69C, ARG264B, ARG440B, ARG80C, ASN384B, ASN389B, ASN75C, ASN77C, ASP92C, GLN311B, GLU266B, GLU385B, GLU388B, GLU436B, GLU65C, GLU68C, GLU72C, GLU73C, GLU84C, GLU88C, GLY265B, GLY269B, GLY391B, GLY76C, ILE312B, LEU335B, LEU63C, LEU71C, LEU95C, LYS314B, LYS66C, LYS70C, PHE310B, PHE61C, PHE64C, PRO58B, SER267B, SER268B, SER386B, THR387B, THR59B, THR62C, TRP381B, TRP89C, TYR74C, VAL94C
• D-C: ALA100D, ALA128D, ALA138D, ALA31C, ALA38C, ALA54C, ALA58C, ALA60C, ALA6C, ALA82D, ALA86D, ARG141D, ARG42C, ARG80D, ARG90D, ARG96D, ASN134D, ASP123D, ASP124D, ASP59C, ASP92C, ASP92D, GLN174C, GLN25C, GLN30C, GLU118D, GLU121D, GLU65C, GLU84D, GLU88D, GLU99D, GLY115D, GLY117D, GLY130D, GLY133D, GLY24C, GLY29C, GLY55C, HIS36C, HIS5C, ILE103D, ILE120D, ILE126D, ILE129D, LEU102D, LEU111D, LEU112D, LEU127D, LEU137D, LEU63C, LEU85D, LEU95C, LEU98C, LYS145D, LYS35C, LYS40C, LYS79D, LYS87D, LYS93C, LYS93D, LYS97C, LYS97D, MET101D, MET34C, PHE28C, PHE4C, PHE53C, PHE61C, PRO122D, SER114D, SER2C, SER3C, SER56C, SER91D, THR116D, THR27C, THR37C, THR62C, THR7C, TRP89D, TYR135D, VAL113D, VAL119D, VAL26C, VAL32C, VAL33C, VAL57C, VAL83D, VAL94C