3T6G

structure of the complex between nsp3 (shep1) and p130cas

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 115
  • Norm. En. per Res.: -3.4143
• Hub Node: A(2)

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	-38.5521	-83.5983	-270.49	-392.6405	115	15	12	12725	6	25	28
A-C	-4.2983	-35.0732	-82.0893	-121.4608	50	1	1	3589	4	11	12
C-D	-39.0818	-75.6388	-192.012	-306.7326	102	25	10	10881	6	26	25

Interface residues

• A-B: ALA621A, ALA625A, ALA626A, ALA630A, ALA753B, ALA780B, ALA789B, ALA803B, ALA828B, ALA834B, ARG461A, ARG473A, ARG476A, ARG627A, ARG741B, ARG801B, ARG824B, ASN754B, ASN817B, ASP740B, ASP797B, ASP821B, CYS751B, CYS820B, GLN455A, GLN742B, GLN750B, GLN802B, GLU391A, GLU465A, GLU597A, GLU613A, GLU617A, GLU624A, GLU749B, GLU752B, GLY459A, GLY472A, GLY615A, GLY633A, GLY634A, GLY796B, GLY825B, HIS471A, HIS614A, HIS622A, HIS631A, HIS632A, HIS781B, HIS790B, HIS814B, ILE389A, ILE786B, ILE795B, ILE826B, LEU457A, LEU466A, LEU467A, LEU469A, LEU592A, LEU595A, LEU596A, LEU620A, LEU623A, LEU743B, LEU744B, LEU745B, LEU787B, LEU792B, LEU799B, LEU818B, LEU819B, LEU822B, LEU823B, LYS783B, LYS791B, LYS804B, LYS831B, MET458A, MET464A, PHE746B, PHE778B, PHE784B, PHE794B, PRO388A, PRO470A, SER598A, SER739B, SER782B, SER788B, SER800B, SER816B, THR386A, THR456A, THR468A, THR594A, THR628A, THR798B, THR813B, THR830B, TRP462A, TYR747B, TYR815B, VAL387A, VAL390A, VAL460A, VAL616A, VAL618A, VAL619A, VAL629A, VAL779B, VAL785B, VAL793B, VAL812B, VAL827B
• A-C: ALA538C, ALA558C, ALA640A, ALA697C, ARG431A, ARG435A, ARG542C, ARG551C, ASN583A, ASN639A, ASP536C, GLN545C, GLN552C, GLN645A, GLN648A, GLU544C, GLU562C, GLU641A, GLU695C, GLY520A, GLY634A, GLY646A, HIS637A, HIS692C, ILE540C, LEU448A, LEU508C, LEU535C, LEU543C, LEU550C, LEU635A, LEU644A, LYS452A, LYS563C, LYS566C, LYS643A, MET522A, PHE647A, SER541C, SER582A, THR521A, THR546C, THR549C, THR638A, TRP462A, TRP547C, TYR561C, VAL548C, VAL642A, VAL698C
• C-D: ALA621C, ALA625C, ALA626C, ALA630C, ALA753D, ALA780D, ALA789D, ALA828D, ALA834D, ARG461C, ARG473C, ARG476C, ARG627C, ARG801D, ARG824D, ASN754D, ASN817D, ASP797D, ASP821D, CYS751D, CYS820D, GLN455C, GLN750D, GLN802D, GLU465C, GLU597C, GLU613C, GLU617C, GLU624C, GLU749D, GLY459C, GLY472C, GLY615C, GLY633C, GLY634C, GLY796D, GLY825D, HIS471C, HIS614C, HIS622C, HIS631C, HIS632C, HIS781D, HIS790D, HIS814D, ILE786D, ILE795D, ILE826D, LEU457C, LEU466C, LEU467C, LEU469C, LEU592C, LEU595C, LEU596C, LEU620C, LEU623C, LEU743D, LEU787D, LEU792D, LEU799D, LEU818D, LEU819D, LEU822D, LEU823D, LEU835D, LYS783D, LYS791D, LYS804D, LYS831D, MET458C, MET464C, PHE746D, PHE778D, PHE784D, PHE794D, PRO470C, SER598C, SER782D, SER788D, SER800D, SER816D, THR456C, THR468C, THR594C, THR628C, THR798D, THR813D, THR830D, TRP462C, TYR747D, TYR815D, VAL460C, VAL616C, VAL618C, VAL619C, VAL629C, VAL779D, VAL785D, VAL793D, VAL812D, VAL827D