3JUA

structural basis of yap recognition by tead4 in the hippo pathway

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 100
  • Norm. En. per Res.: -3.7606
• Hub Node: A(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	-36.605	-16.8004	-331.419	-384.8244	104	16	8	13706	8	28	26
A-C	0.0	17.4325	-78.3598	-60.9273	43	1	0	2620	0	14	14
A-E	-5.6	-12.0289	-32.4221	-50.051	22	0	0	1472	0	6	7
A-G	-41.6092	57.4057	-188.41	-172.6135	83	18	2	7135	2	44	37
C-D	-12.5646	-17.4496	-279.911	-309.9253	97	8	7	11904	3	22	22
C-E	-13.6418	66.7986	-155.346	-102.1893	70	20	2	5927	0	29	31
C-G	-3.0132	-7.563	-24.915	-35.4913	22	1	0	1169	0	5	5
E-F	-30.9159	-44.1121	-301.03	-376.058	100	14	9	12135	5	21	19
E-G	0.0	0.0	-37.3718	-37.3718	21	1	0	1508	0	4	3
G-H	-49.3196	-0.494	-163.527	-213.3406	57	11	1	6389	2	15	19

Interface residues

• A-B: ALA412A, ALA417A, ALA52B, ALA56B, ARG261A, ARG423A, ARG72B, ARG74B, ASN365A, ASN380A, ASN385A, ASN55B, ASN59B, ASN64B, ASP259A, ASP265A, ASP49B, ASP78B, CYS328A, GLN262A, GLN333A, GLN418A, GLN67B, GLU256A, GLU361A, GLU375A, GLU384A, GLU409A, GLU47B, GLU51B, GLU85B, GLY331A, HIS368A, HIS372A, HIS419A, HIS420A, ILE260A, ILE263A, ILE364A, ILE367A, ILE421A, LEU288A, LEU370A, LEU373A, LEU383A, LEU424A, LEU50B, LEU53B, LEU73B, LEU76B, LYS266A, LYS290A, LYS332A, LYS369A, LYS371A, LYS61B, LYS75B, LYS82B, MET363A, MET378A, MET379A, MET58B, MET71B, PHE267A, PHE291A, PHE330A, PHE366A, PHE386A, PHE408A, PHE54B, PHE80B, PHE81B, PRO374A, PRO66B, PRO70B, PRO77B, PRO83B, PRO84B, SER329A, SER381A, SER411A, SER413A, SER79B, THR257A, THR387A, THR48B, THR68B, TRP292A, TYR264A, TYR362A, TYR377A, TYR406A, TYR422A, VAL258A, VAL289A, VAL327A, VAL334A, VAL335A, VAL382A, VAL407A, VAL410A, VAL57B, VAL65B, VAL69B
• A-C: ALA343A, ALA343C, ARG344A, ARG344C, ARG395A, ARG395C, ASN318A, ASN318C, ASN347A, ASN347C, ASN394A, ASN394C, ASP396A, ASP396C, GLN398A, GLN398C, GLU317A, GLU317C, GLU346A, GLU346C, GLU399A, GLU399C, GLY348A, GLY348C, HIS349A, HIS349C, ILE320A, ILE320C, LYS216A, LYS216C, MET319A, MET319C, PRO316A, PRO316C, SER315C, THR397A, THR397C, TYR342A, TYR345A, TYR345C, TYR350A, TYR350C, TYR352C
• A-E: ALA343E, ARG395A, ARG395E, ASN318E, ASN394A, ASN394E, ASP396A, ASP396E, GLN398A, GLU317E, ILE320A, ILE320E, ILE321E, MET319E, THR322A, THR340A, THR397A, TYR342A, TYR342E, TYR350E, TYR352E, VAL338A
• A-G: ALA343A, ALA343G, ALA417A, ALA417G, ARG228A, ARG228G, ARG344A, ARG344G, ARG353A, ARG353G, ARG356A, ARG356G, ARG395A, ARG395G, ASN236A, ASN236G, ASN296A, ASN296G, ASN318A, ASN318G, ASN347A, ASN347G, ASP231A, ASP231G, ASP233A, ASP233G, ASP294A, ASP294G, GLN229A, GLN229G, GLN230A, GLN312A, GLN312G, GLU221A, GLU221G, GLU227A, GLU227G, GLU339G, GLU341A, GLU341G, GLU346A, GLU346G, HIS355A, HIS355G, ILE320A, ILE320G, ILE321A, ILE321G, ILE354A, ILE354G, LEU226A, LEU226G, LEU351A, LEU351G, LYS237A, LYS237G, PHE225G, PHE240A, PHE240G, PRO232A, PRO232G, SER310A, SER310G, SER311A, SER311G, THR234A, THR234G, THR297A, THR297G, THR340A, THR340G, TYR235A, TYR235G, TYR313A, TYR313G, TYR342A, TYR342G, TYR345A, TYR345G, TYR350A, TYR350G, TYR352A, TYR352G
• C-D: ALA412C, ALA52D, ALA56D, ALA63D, ARG261C, ARG423C, ARG72D, ARG74D, ASN365C, ASN380C, ASN385C, ASN55D, ASP259C, ASP265C, ASP49D, ASP78D, CYS328C, GLN262C, GLN333C, GLN418C, GLN67D, GLU256C, GLU361C, GLU375C, GLU384C, GLU409C, GLU51D, GLY331C, HIS368C, HIS372C, HIS419C, HIS420C, ILE260C, ILE263C, ILE364C, ILE367C, ILE421C, LEU288C, LEU370C, LEU373C, LEU383C, LEU424C, LEU50D, LEU53D, LEU73D, LEU76D, LYS266C, LYS290C, LYS332C, LYS369C, LYS371C, LYS75D, LYS82D, MET363C, MET378C, MET379C, MET58D, MET71D, PHE267C, PHE291C, PHE330C, PHE366C, PHE386C, PHE408C, PHE54D, PHE80D, PHE81D, PRO374C, PRO60D, PRO66D, PRO70D, PRO77D, SER329C, SER381C, SER411C, SER413C, SER79D, THR257C, THR387C, THR48D, THR68D, TRP292C, TYR264C, TYR362C, TYR377C, TYR406C, TYR422C, VAL258C, VAL289C, VAL327C, VAL334C, VAL335C, VAL382C, VAL407C, VAL57D, VAL65D, VAL69D
• C-E: ALA343C, ALA343E, ARG228C, ARG344C, ARG344E, ARG353C, ARG353E, ARG356C, ARG395E, ASN236C, ASN236E, ASN298C, ASN318C, ASN318E, ASN347C, ASN347E, ASP231C, ASP231E, ASP233C, ASP233E, GLN229C, GLN229E, GLN230C, GLN230E, GLN312C, GLN312E, GLU227C, GLU227E, GLU341C, GLU341E, GLU346C, GLU346E, GLY348E, HIS355C, HIS355E, HIS415C, ILE299C, ILE299E, ILE320C, ILE320E, ILE321C, ILE321E, ILE354C, ILE354E, LEU226C, LEU351C, LEU351E, LYS237C, LYS237E, PHE240C, PRO232C, PRO232E, THR234C, THR234E, THR297C, THR297E, THR340C, THR340E, TYR235C, TYR235E, TYR313C, TYR313E, TYR342C, TYR342E, TYR345C, TYR345E, TYR350C, TYR350E, TYR352C, TYR352E
• C-G: ALA343G, ARG395C, ARG395G, ASN318G, ASN394C, ASN394G, ASP396C, ASP396G, GLN398C, GLU317G, GLU341G, ILE320C, ILE320G, ILE321G, MET319G, THR322C, THR340C, THR397C, TYR342C, TYR342G, TYR350G, TYR352G
• E-F: ALA412E, ALA417E, ALA52F, ALA56F, ALA63F, ARG261E, ARG72F, ARG74F, ASN365E, ASN380E, ASN385E, ASN55F, ASN59F, ASP259E, ASP265E, ASP49F, ASP78F, CYS328E, GLN262E, GLN333E, GLN418E, GLN67F, GLU256E, GLU361E, GLU375E, GLU384E, GLU409E, GLU51F, GLY331E, HIS368E, HIS372E, HIS419E, HIS420E, ILE260E, ILE263E, ILE364E, ILE367E, ILE421E, LEU288E, LEU370E, LEU373E, LEU383E, LEU424E, LEU50F, LEU53F, LEU73F, LEU76F, LYS266E, LYS290E, LYS332E, LYS369E, LYS371E, LYS426E, LYS75F, LYS82F, MET363E, MET378E, MET379E, MET58F, MET71F, PHE267E, PHE291E, PHE330E, PHE366E, PHE386E, PHE408E, PHE54F, PHE80F, PHE81F, PRO374E, PRO66F, PRO70F, PRO77F, PRO83F, SER329E, SER381E, SER411E, SER413E, SER79F, THR257E, THR387E, THR48F, THR68F, TRP292E, TYR264E, TYR362E, TYR377E, TYR406E, TYR422E, VAL258E, VAL289E, VAL327E, VAL334E, VAL335E, VAL382E, VAL407E, VAL410E, VAL57F, VAL65F, VAL69F
• E-G: ASN318E, ASN318G, ASN347E, ASN347G, GLU317E, GLU317G, GLU346E, GLU346G, GLY348E, GLY348G, HIS349E, HIS349G, MET319E, MET319G, PRO316E, PRO316G, TYR345E, TYR345G, TYR350E, TYR350G, TYR352E
• G-H: ALA417G, ARG261G, ARG72H, ARG74H, ASN380G, ASN385G, ASP259G, ASP265G, ASP78H, GLN262G, GLN418G, GLN67H, GLU256G, GLU269G, GLU384G, GLU409G, HIS419G, HIS420G, ILE260G, ILE263G, ILE421G, LEU288G, LEU383G, LEU424G, LEU73H, LEU76H, LYS266G, LYS290G, LYS75H, LYS82H, MET71H, PHE267G, PHE291G, PHE386G, PHE408G, PHE80H, PHE81H, PRO66H, PRO70H, PRO77H, PRO83H, SER381G, SER411G, SER79H, THR257G, THR387G, THR68H, TRP292G, TYR264G, TYR377G, TYR406G, TYR422G, VAL258G, VAL289G, VAL407G, VAL410G, VAL69H