3HAI

crystal structure of human pacsin1 f-bar domain (p21 lattice)

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 379
  • Norm. En. per Res.: -3.9583
• 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	-78.624	-229.9933	-1191.58	-1500.1973	379	145	30	53042	18	120	107
A-C	0.0	0.0	-0.183	-0.183	3	0	0	36	0	0	0
A-D	-9.661	-12.1037	-67.6517	-89.4163	43	5	0	3498	0	17	13
B-C	-7.5224	-5.6415	-54.0572	-67.2211	42	8	0	3137	0	13	13
C-D	-65.158	-206.2332	-1096.59	-1367.9813	346	116	27	47770	13	106	98

Interface residues

• A-B: ALA163A, ALA163B, ALA259A, ALA259B, ALA274A, ALA274B, ALA278A, ALA278B, ALA280A, ALA280B, ALA50A, ALA50B, ALA55A, ALA55B, ALA64A, ALA64B, ALA83A, ALA83B, ALA86A, ALA86B, ALA91A, ALA91B, ARG241A, ARG241B, ARG254A, ARG254B, ARG269A, ARG269B, ARG276A, ARG276B, ARG27A, ARG27B, ARG285A, ARG285B, ARG288A, ARG288B, ARG31A, ARG31B, ARG37A, ARG37B, ARG49A, ARG49B, ARG66A, ARG66B, ARG68A, ARG82A, ARG82B, ASN24A, ASN24B, ASN257A, ASN257B, ASN261A, ASN261B, ASN298A, ASN298B, ASN306A, ASN306B, ASN40A, ASN40B, ASN44A, ASN44B, ASP17A, ASP17B, ASP251A, ASP251B, ASP279A, ASP279B, ASP283A, ASP283B, ASP308B, ASP33A, ASP33B, ASP34A, ASP34B, ASP41A, ASP41B, ASP62A, ASP62B, ASP92A, ASP92B, CYS164A, CYS164B, CYS234A, CYS234B, CYS39A, CYS39B, CYS45A, CYS45B, GLN143B, GLN206A, GLN206B, GLN229A, GLN229B, GLN235A, GLN235B, GLN236A, GLN236B, GLN273A, GLN273B, GLN281A, GLN281B, GLN301A, GLN301B, GLN47A, GLN47B, GLN58A, GLN58B, GLN59A, GLN59B, GLN76A, GLN76B, GLU154A, GLU166A, GLU166B, GLU167A, GLU167B, GLU210A, GLU210B, GLU214B, GLU21A, GLU21B, GLU225A, GLU228A, GLU228B, GLU232A, GLU232B, GLU238A, GLU238B, GLU239A, GLU239B, GLU247A, GLU247B, GLU260A, GLU260B, GLU270A, GLU270B, GLU272A, GLU272B, GLU282A, GLU282B, GLU303A, GLU303B, GLU304A, GLU304B, GLU48A, GLU48B, GLU53A, GLU53B, GLU81A, GLU81B, GLU90A, GLU90B, GLY217A, GLY217B, GLY277A, GLY277B, GLY292A, GLY292B, GLY294A, GLY294B, GLY35A, GLY35B, GLY57A, GLY57B, GLY74A, GLY74B, GLY78A, GLY78B, GLY85A, GLY85B, HIS161A, HIS161B, HIS255A, HIS255B, HIS266A, HIS266B, HIS36A, HIS98A, HIS98B, ILE252A, ILE252B, ILE265A, ILE265B, ILE275A, ILE275B, ILE32A, ILE32B, ILE52A, ILE52B, ILE71A, ILE71B, ILE87A, ILE87B, LEU105A, LEU105B, LEU153A, LEU153B, LEU162A, LEU162B, LEU169A, LEU213A, LEU213B, LEU242A, LEU242B, LEU245A, LEU245B, LEU249A, LEU249B, LEU250A, LEU250B, LEU256A, LEU256B, LEU258A, LEU258B, LEU271A, LEU271B, LEU284A, LEU284B, LEU38A, LEU38B, LEU42A, LEU42B, LEU60A, LEU60B, LEU70A, LEU70B, LEU80A, LEU80B, LEU97B, LYS149A, LYS149B, LYS157A, LYS157B, LYS158B, LYS165A, LYS165B, LYS168A, LYS168B, LYS240A, LYS240B, LYS246A, LYS246B, LYS253A, LYS253B, LYS26A, LYS26B, LYS30A, LYS30B, LYS51A, LYS51B, LYS54A, LYS54B, LYS73A, LYS73B, LYS93B, MET150A, MET150B, MET224A, MET224B, MET227A, MET227B, MET295A, MET295B, MET297A, MET297B, MET43A, MET43B, MET88A, MET88B, PHE139A, PHE139B, PHE19A, PHE19B, PHE231A, PHE231B, PHE237A, PHE237B, PHE244A, PHE244B, PHE287A, PHE287B, PHE302A, PHE302B, PRO221A, PRO221B, PRO293A, PRO293B, PRO296A, PRO296B, PRO300A, PRO300B, PRO307A, PRO307B, PRO75A, PRO75B, SER18A, SER18B, SER262B, SER263A, SER263B, SER289A, SER289B, SER291A, SER291B, SER79A, SER79B, SER95A, SER95B, THR15A, THR15B, THR16A, THR16B, THR205A, THR205B, THR219A, THR219B, THR220A, THR220B, THR28A, THR28B, THR290A, THR290B, THR61A, THR61B, THR89B, TRP146A, TRP146B, TRP20A, TRP20B, TRP286A, TRP286B, TRP299A, TRP299B, TRP305A, TRP305B, TRP63A, TRP63B, TRP67A, TRP67B, TRP84A, TRP84B, TYR160A, TYR160B, TYR209A, TYR209B, TYR223A, TYR223B, TYR25A, TYR25B, TYR264A, TYR264B, TYR268A, TYR268B, TYR56A, TYR56B, TYR77A, TYR77B, VAL101A, VAL101B, VAL202A, VAL202B, VAL212A, VAL212B, VAL216A, VAL216B, VAL22A, VAL22B, VAL243A, VAL243B, VAL248A, VAL248B, VAL267A, VAL267B, VAL29A, VAL29B, VAL46A, VAL46B, VAL94A, VAL94B
• A-C: ARG66A, GLN181C, TRP67A
• A-D: ALA50D, ALA55D, ARG49D, ASN103D, ASN104D, ASN107D, ASN176A, ASN40D, ASN44D, ASP41D, GLN181A, GLN188A, GLN192A, GLN47D, GLN58D, GLN99D, GLU100D, GLU108D, GLU111D, GLU174A, GLU180A, GLU48D, GLU53D, ILE52D, LEU105D, LEU106D, LEU110D, LYS102D, LYS114D, LYS168A, LYS178A, LYS189A, LYS51D, LYS54D, MET171A, MET175A, MET43D, PRO185A, SER177A, SER182A, THR172A, THR179A, VAL46D
• B-C: ALA50B, ARG49B, ASN103B, ASN104B, ASN107B, ASN176C, ASN44B, CYS45B, GLN181C, GLN188C, GLN192C, GLN47B, GLN99B, GLU100B, GLU108B, GLU111B, GLU174C, GLU180C, GLU48B, ILE52B, LEU105B, LEU106B, LEU110B, LYS102B, LYS114B, LYS118B, LYS178C, LYS189C, LYS199C, LYS51B, LYS54B, MET171C, MET175C, MET43B, PRO185C, SER177C, SER182C, THR172C, THR179C, THR184C, VAL183C, VAL46B
• C-D: ALA163C, ALA259C, ALA259D, ALA274C, ALA274D, ALA278C, ALA278D, ALA280C, ALA280D, ALA50C, ALA50D, ALA55C, ALA55D, ALA64C, ALA64D, ALA83C, ALA83D, ALA86C, ALA86D, ALA91C, ALA91D, ARG241C, ARG241D, ARG254C, ARG254D, ARG269C, ARG269D, ARG276C, ARG276D, ARG27C, ARG27D, ARG285C, ARG285D, ARG288C, ARG288D, ARG31C, ARG31D, ARG37C, ARG37D, ARG49C, ARG49D, ARG66C, ARG66D, ARG68D, ARG82C, ARG82D, ASN24C, ASN24D, ASN257C, ASN257D, ASN261C, ASN298C, ASN298D, ASN306D, ASN40C, ASN40D, ASN44C, ASN44D, ASP17C, ASP17D, ASP251C, ASP251D, ASP279C, ASP279D, ASP283C, ASP283D, ASP33C, ASP33D, ASP34C, ASP34D, ASP41C, ASP41D, ASP62C, ASP62D, ASP92C, ASP92D, CYS164C, CYS234C, CYS234D, CYS39C, CYS39D, CYS45C, CYS45D, GLN143D, GLN206C, GLN229C, GLN229D, GLN233C, GLN235C, GLN235D, GLN236C, GLN236D, GLN273C, GLN273D, GLN281C, GLN281D, GLN301D, GLN47C, GLN47D, GLN58C, GLN58D, GLN59C, GLN59D, GLN76C, GLN76D, GLU154C, GLU166C, GLU167C, GLU207C, GLU210C, GLU214D, GLU21C, GLU21D, GLU228C, GLU228D, GLU232C, GLU232D, GLU238C, GLU238D, GLU239C, GLU239D, GLU247C, GLU247D, GLU260C, GLU260D, GLU270C, GLU270D, GLU272C, GLU272D, GLU282C, GLU303D, GLU304D, GLU48C, GLU48D, GLU53C, GLU53D, GLU81C, GLU81D, GLU90C, GLU90D, GLY217C, GLY217D, GLY277C, GLY277D, GLY292C, GLY292D, GLY294C, GLY294D, GLY35C, GLY35D, GLY57C, GLY57D, GLY74C, GLY74D, GLY78C, GLY78D, GLY85C, GLY85D, HIS161C, HIS255C, HIS255D, HIS266C, HIS266D, HIS98C, HIS98D, ILE252C, ILE252D, ILE265C, ILE265D, ILE275C, ILE275D, ILE32C, ILE32D, ILE52C, ILE52D, ILE71C, ILE71D, ILE87C, ILE87D, LEU105C, LEU105D, LEU153C, LEU153D, LEU162C, LEU169C, LEU213C, LEU213D, LEU242C, LEU242D, LEU245C, LEU245D, LEU249C, LEU249D, LEU250C, LEU250D, LEU256C, LEU256D, LEU258C, LEU258D, LEU271C, LEU271D, LEU284C, LEU284D, LEU38C, LEU38D, LEU42C, LEU42D, LEU60C, LEU60D, LEU70C, LEU70D, LEU80C, LEU80D, LEU97C, LYS149C, LYS157C, LYS157D, LYS165C, LYS168C, LYS211C, LYS240C, LYS240D, LYS246C, LYS246D, LYS253C, LYS253D, LYS26C, LYS26D, LYS30C, LYS30D, LYS51C, LYS51D, LYS54C, LYS54D, LYS73C, LYS73D, MET150C, MET150D, MET224C, MET224D, MET227C, MET227D, MET295C, MET295D, MET297C, MET297D, MET43C, MET43D, MET88C, MET88D, PHE139C, PHE139D, PHE19C, PHE19D, PHE231C, PHE231D, PHE237C, PHE237D, PHE244C, PHE244D, PHE287C, PHE287D, PHE302D, PRO293C, PRO293D, PRO296C, PRO296D, PRO300C, PRO300D, PRO307D, PRO75C, PRO75D, SER18C, SER18D, SER262D, SER289C, SER289D, SER291C, SER291D, SER79C, SER79D, SER95C, SER95D, THR16C, THR16D, THR205C, THR220C, THR220D, THR28C, THR28D, THR290C, THR290D, THR61C, THR61D, THR89C, TRP146C, TRP146D, TRP20C, TRP20D, TRP286C, TRP286D, TRP299C, TRP299D, TRP305D, TRP63C, TRP63D, TRP67C, TRP67D, TRP84C, TRP84D, TYR160C, TYR209C, TYR209D, TYR223C, TYR223D, TYR25C, TYR25D, TYR264C, TYR264D, TYR268C, TYR268D, TYR56C, TYR56D, TYR77C, TYR77D, VAL101C, VAL101D, VAL202C, VAL212C, VAL212D, VAL216C, VAL216D, VAL22C, VAL22D, VAL243C, VAL243D, VAL248C, VAL248D, VAL267C, VAL267D, VAL29C, VAL29D, VAL46C, VAL46D, VAL94C, VAL94D