2V7D

14-3-3 protein zeta in complex with thr758 phosphorylated integrin beta2 peptide

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 109
  • Norm. En. per Res.: -3.9273
• 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	-43.0535	-124.8195	-235.727	-403.6	106	22	12	10292	12	50	52
A-C	0.0	0.0	-0.0091	-0.0091	6	0	0	6	0	20	15
A-D	-17.2282	33.9264	-106.585	-89.8868	66	9	0	4560	0	28	28
A-P	-31.9045	-10.3716	-79.6246	-121.9007	49	9	1	3399	2	4	3
B-C	-5.826	33.5232	-90.5696	-62.8724	66	8	0	4499	0	30	29
B-D	0.0	14.7809	-0.2109	14.57	11	0	0	45	0	22	20
B-Q	-37.8227	-0.6445	-80.8435	-119.3107	49	10	1	3452	1	4	4
C-D	-51.3515	-135.4524	-241.273	-428.077	109	24	12	10431	13	49	52
C-R	-28.4191	-1.1399	-68.4961	-98.0551	49	13	1	3586	1	4	3
D-S	-28.3732	0.8045	-78.528	-106.0967	47	11	1	3338	0	4	3

Interface residues

• A-B: ALA10A, ALA10B, ALA13A, ALA13B, ALA16A, ALA16B, ALA24A, ALA24B, ALA54A, ALA54B, ALA79A, ALA79B, ARG18A, ARG18B, ARG55A, ARG55B, ARG56A, ARG56B, ARG60A, ARG60B, ARG80A, ARG80B, ARG83A, ARG83B, ASN4A, ASN4B, ASP20A, ASP20B, ASP21A, ASP21B, ASP2A, ASP2B, CYS25A, CYS25B, GLN15A, GLN15B, GLN76A, GLN76B, GLN77A, GLN77B, GLN8A, GLN8B, GLU14A, GLU14B, GLU17A, GLU17B, GLU5A, GLU5B, GLU66A, GLU66B, GLU81A, GLU81B, GLU87A, GLU87B, GLU89A, GLU89B, ILE65A, ILE65B, ILE86A, ILE86B, LEU12A, LEU12B, LEU6A, LEU6B, LEU90A, LEU90B, LYS11A, LYS11B, LYS3A, LYS3B, LYS68B, LYS74A, LYS74B, LYS75A, LYS75B, LYS85A, LYS85B, LYS9A, LYS9B, MET1A, MET1B, MET22A, MET22B, MET78A, MET78B, SER57A, SER57B, SER58A, SER58B, SER63A, SER63B, SER64A, SER64B, THR69B, THR88A, TRP59A, TRP59B, TYR19A, TYR19B, TYR82A, TYR82B, VAL51B, VAL61A, VAL61B, VAL62A, VAL62B
• A-C: ASP137A, ASP137C, GLU81C, LYS74A, LYS74C, THR88A
• A-D: ALA34A, ALA34D, ARG91A, ARG91D, ASN108A, ASN95A, ASN95D, ASP137A, ASP137D, ASP143D, ASP2A, ASP2D, ASP92A, ASP92D, ASP96A, ASP96D, CYS94A, CYS94D, GLN144A, GLN144D, GLN32A, GLN32D, GLU102A, GLU102D, GLU31A, GLU31D, GLY-1A, GLY-1D, GLY140A, GLY140D, GLY33A, GLY33D, ILE141A, ILE141D, LEU100A, LEU100D, LEU129A, LEU129D, LEU6A, LEU6D, LEU98A, LEU98D, LYS103A, LYS103D, LYS122A, LYS122D, LYS27A, LYS27D, LYS9A, LYS9D, MET1A, MET1D, PHE104A, PHE104D, SER0A, SER0D, SER28A, SER28D, SER99A, SER99D, THR30A, THR30D, TYR125A, TYR125D, TYR126A, TYR126D
• A-P: ALA188A, ALA757P, ARG127A, ARG56A, ARG60A, ASN173A, ASN224A, ASN42A, ASN50A, ASP124A, ASP213A, ASP223A, GLN219A, GLU131A, GLU14A, GLU180A, GLY169A, ILE166A, ILE181A, ILE217A, LEU168A, LEU170A, LEU172A, LEU216A, LEU220A, LEU221A, LEU225A, LEU227A, LYS120A, LYS49A, LYS755P, MET121A, PHE117A, PHE174A, PHE177A, PRO165A, SER175A, SER45A, SER57A, SER756P, THR759P, THR760P, TRP228A, TYR128A, TYR149A, TYR179A, VAL176A, VAL46A, VAL761P
• B-C: ALA34B, ALA34C, ARG91B, ARG91C, ASN95B, ASN95C, ASP137B, ASP137C, ASP143B, ASP143C, ASP2B, ASP2C, ASP92B, ASP92C, ASP96B, ASP96C, CYS94B, CYS94C, GLN144B, GLN144C, GLN32B, GLN32C, GLU102B, GLU102C, GLU31B, GLU31C, GLY-1B, GLY-1C, GLY140B, GLY140C, GLY33B, GLY33C, ILE141B, ILE141C, LEU100B, LEU100C, LEU129B, LEU129C, LEU6B, LEU6C, LEU98B, LEU98C, LYS103B, LYS103C, LYS122B, LYS122C, LYS27B, LYS27C, LYS9B, LYS9C, MET1B, MET1C, PHE104B, PHE104C, SER0B, SER0C, SER28B, SER28C, SER99B, SER99C, THR30B, THR30C, TYR125B, TYR125C, TYR126B, TYR126C
• B-D: ASP136D, ASP137B, ASP137D, GLU81B, GLU81D, GLU84B, GLU84D, LYS74B, LYS74D, THR88B, THR88D
• B-Q: ALA171B, ALA188B, ALA757Q, ARG127B, ARG56B, ARG60B, ASN173B, ASN224B, ASN42B, ASN50B, ASP124B, ASP213B, ASP223B, GLN219B, GLU131B, GLU14B, GLU180B, GLY169B, ILE166B, ILE181B, ILE217B, LEU168B, LEU170B, LEU172B, LEU216B, LEU220B, LEU221B, LEU225B, LEU227B, LYS120B, LYS49B, LYS755Q, MET121B, PHE117B, PHE174B, PHE177B, PRO165B, SER175B, SER45B, SER57B, SER756Q, THR759Q, THR760Q, TRP228B, TYR128B, TYR179B, VAL176B, VAL46B, VAL761Q
• C-D: ALA10C, ALA10D, ALA13C, ALA13D, ALA16C, ALA16D, ALA24C, ALA24D, ALA54C, ALA54D, ALA79C, ALA79D, ARG18C, ARG18D, ARG55C, ARG55D, ARG56C, ARG56D, ARG60C, ARG60D, ARG80C, ARG80D, ARG83C, ARG83D, ASN4C, ASN4D, ASP20C, ASP20D, ASP21C, ASP21D, ASP2C, ASP2D, CYS25C, CYS25D, GLN15C, GLN15D, GLN76C, GLN76D, GLN77C, GLN77D, GLN8C, GLN8D, GLU14C, GLU14D, GLU17C, GLU17D, GLU5C, GLU5D, GLU66C, GLU66D, GLU81C, GLU81D, GLU87C, GLU87D, GLU89C, GLU89D, ILE65C, ILE65D, ILE86C, ILE86D, LEU12C, LEU12D, LEU6C, LEU6D, LEU90C, LEU90D, LYS11C, LYS11D, LYS3C, LYS3D, LYS74C, LYS74D, LYS75C, LYS75D, LYS85C, LYS85D, LYS9C, LYS9D, MET1C, MET1D, MET22C, MET22D, MET78C, MET78D, SER57C, SER57D, SER58C, SER58D, SER63C, SER63D, SER64C, SER64D, THR69C, THR69D, THR88C, TRP59C, TRP59D, TYR19C, TYR19D, TYR82C, TYR82D, VAL51C, VAL51D, VAL61C, VAL61D, VAL62C, VAL62D, VAL7C, VAL7D
• C-R: ALA171C, ALA188C, ALA757R, ARG127C, ARG56C, ARG60C, ASN173C, ASN224C, ASN42C, ASN50C, ASP124C, ASP213C, ASP223C, GLN219C, GLU131C, GLU14C, GLU180C, GLY169C, ILE166C, ILE181C, ILE217C, LEU168C, LEU170C, LEU172C, LEU216C, LEU220C, LEU221C, LEU227C, LYS120C, LYS49C, LYS755R, MET121C, PHE117C, PHE174C, PHE177C, PRO165C, SER175C, SER45C, SER57C, SER756R, THR759R, THR760R, TRP228C, TYR128C, TYR149C, TYR179C, VAL176C, VAL46C, VAL761R
• D-S: ALA757S, ARG127D, ARG56D, ARG60D, ASN173D, ASN224D, ASN42D, ASN50D, ASP124D, ASP213D, ASP223D, GLN219D, GLU131D, GLU14D, GLU180D, GLY169D, ILE166D, ILE181D, ILE217D, LEU168D, LEU170D, LEU172D, LEU216D, LEU220D, LEU221D, LEU227D, LYS120D, LYS49D, LYS755S, MET121D, PHE117D, PHE174D, PHE177D, PRO165D, SER175D, SER45D, SER57D, SER756S, THR759S, THR760S, TRP228D, TRP59D, TYR128D, TYR179D, VAL176D, VAL46D, VAL761S