2OJ6

crystal structure of reovirus t3d attachment protein sigma1 head domain d345n mutant

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 119
  • Norm. En. per Res.: -3.7132
• 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	-87.7613	-17.1085	-306.871	-411.7408	119	11	6	11839	1	13	12
A-C	-86.9632	-15.7973	-339.116	-441.8765	119	10	6	12110	1	14	13
B-C	-78.6325	-15.0135	-329.723	-423.369	121	9	6	12400	1	13	13
B-E	0.0	-3.3363	-11.9911	-15.3274	26	1	0	737	0	4	5
C-E	-2.1393	0.0	-31.0116	-33.1509	32	4	0	1562	3	1	0
D-E	-91.8827	-19.121	-309.182	-420.1857	116	11	6	11616	1	14	13
D-F	-93.7655	-8.687	-317.552	-420.0045	118	18	6	12080	1	13	13
E-F	-87.2534	-16.9845	-322.501	-426.7388	118	11	6	12065	1	13	13

Interface residues

• A-B: ALA301A, ALA301B, ALA354B, ALA386A, ALA396A, ALA400A, ALA400B, ALA445B, ARG297A, ARG314A, ARG314B, ARG316B, ARG429A, ARG452A, ASN295A, ASN295B, ASN312B, ASN338B, ASN345A, ASN345B, ASN415A, ASP302B, ASP340B, ASP346A, ASP346B, ASP362A, ASP390A, CYS351B, GLN317B, GLN397A, GLN397B, GLN410B, GLU431A, GLY305B, GLY306B, GLY308A, GLY308B, GLY395A, GLY402B, GLY432A, GLY433A, GLY434A, HIS349A, HIS349B, HIS388A, ILE300A, ILE300B, ILE307A, ILE307B, ILE341B, ILE343B, ILE348A, ILE348B, ILE350B, ILE401B, LEU296A, LEU296B, LEU352B, LEU416A, LEU416B, LYS414A, LYS414B, LYS442B, MET309A, MET309B, MET412A, MET412B, MET446B, PHE315B, PHE342B, PHE387A, PHE454A, PRO294A, PRO299A, PRO299B, PRO311B, PRO353B, PRO385A, PRO409B, PRO444B, PRO451A, PRO451B, SER304B, SER310A, SER310B, SER339B, SER413A, SER413B, SER435A, SER449A, SER449B, SER453A, THR393A, THR398A, THR398B, THR408B, THR447B, THR455A, TRP417A, TRP443B, TYR298A, TYR313A, TYR313B, TYR347A, TYR347B, TYR394A, TYR411A, TYR411B, TYR450A, TYR450B, VAL303B, VAL344A, VAL344B, VAL391A, VAL392A, VAL399A, VAL399B, VAL418A, VAL448B
• A-C: ALA301A, ALA301C, ALA354A, ALA386C, ALA396C, ALA400A, ALA400C, ALA445A, ARG297C, ARG314A, ARG314C, ARG316A, ARG429C, ARG452C, ASN295C, ASN312A, ASN338A, ASN345A, ASN345C, ASN415A, ASN415C, ASP302A, ASP340A, ASP346A, ASP346C, ASP362C, ASP390C, CYS351A, GLN317A, GLN397A, GLN397C, GLN410A, GLU431C, GLY305A, GLY306A, GLY308A, GLY308C, GLY395C, GLY402A, GLY432C, GLY433C, GLY434C, HIS349A, HIS349C, HIS388C, ILE300A, ILE300C, ILE307A, ILE307C, ILE341A, ILE343A, ILE348A, ILE348C, ILE350A, ILE401A, LEU296A, LEU296C, LEU352A, LEU416C, LYS414A, LYS414C, LYS442A, MET309A, MET309C, MET412A, MET412C, MET446A, PHE315A, PHE342A, PHE387C, PHE454C, PRO294A, PRO294C, PRO299A, PRO299C, PRO311A, PRO353A, PRO385C, PRO409A, PRO444A, PRO451A, PRO451C, SER293C, SER304A, SER310A, SER310C, SER339A, SER413A, SER413C, SER435C, SER449A, SER449C, SER453C, THR393C, THR398A, THR398C, THR408A, THR447A, TRP417C, TRP443A, TYR298C, TYR313A, TYR313C, TYR347A, TYR347C, TYR394C, TYR411A, TYR411C, TYR450A, TYR450C, VAL303A, VAL344A, VAL344C, VAL391C, VAL392C, VAL399A, VAL399C, VAL418C, VAL448A
• B-C: ALA301B, ALA301C, ALA354C, ALA386B, ALA396B, ALA400B, ALA400C, ALA445C, ARG297B, ARG314B, ARG314C, ARG316B, ARG316C, ARG429B, ARG452B, ASN295B, ASN312C, ASN338C, ASN345B, ASN345C, ASN415B, ASN415C, ASP302C, ASP340C, ASP346B, ASP346C, ASP362B, ASP390B, CYS351C, GLN317C, GLN397B, GLN397C, GLN410C, GLU431B, GLY305C, GLY306C, GLY308B, GLY308C, GLY395B, GLY402C, GLY432B, GLY433B, GLY434B, HIS349B, HIS349C, HIS388B, ILE300B, ILE300C, ILE307B, ILE307C, ILE341C, ILE343C, ILE348B, ILE348C, ILE350C, ILE401C, LEU296B, LEU296C, LEU352C, LEU416B, LEU416C, LYS414B, LYS414C, LYS442C, MET309B, MET309C, MET412B, MET412C, MET446C, PHE315C, PHE342C, PHE355C, PHE387B, PHE454B, PRO294B, PRO299B, PRO299C, PRO311C, PRO353C, PRO385B, PRO409C, PRO444C, PRO451B, PRO451C, SER304C, SER310B, SER310C, SER339C, SER413B, SER413C, SER435B, SER449B, SER449C, SER453B, THR393B, THR398B, THR398C, THR408C, THR447C, THR455B, TRP417B, TRP443C, TYR298B, TYR313B, TYR313C, TYR347B, TYR347C, TYR394B, TYR411B, TYR411C, TYR450B, TYR450C, VAL303C, VAL344B, VAL344C, VAL391B, VAL392B, VAL399B, VAL399C, VAL418B, VAL448C
• B-E: ARG334E, ARG427B, ARG427E, ARG429B, ASN332E, ASN369E, ASN389B, ASP365B, ASP390B, ASP423E, GLN420B, GLN422B, GLN422E, GLU419B, GLY328E, GLY330E, HIS388B, LEU331E, SER325E, SER327E, THR393B, TRP333E, TYR326E, VAL391B, VAL392B, VAL425E
• C-E: ARG334E, ASN338C, ASN369E, ASP340C, CYS351C, GLN317C, GLN336C, GLN336E, GLY322E, GLY373E, ILE321C, ILE321E, ILE323E, ILE341C, LEU352C, LEU374E, LEU375C, MET319C, PHE342C, PHE358E, PRO353C, PRO376C, PRO377C, SER318C, SER325E, SER339C, THR372E, TRP320C, VAL324E, VAL335E, VAL337C, VAL371E
• D-E: ALA301D, ALA301E, ALA354E, ALA386D, ALA396D, ALA400D, ALA400E, ALA445E, ARG297D, ARG314D, ARG314E, ARG316D, ARG316E, ARG429D, ARG452D, ASN295D, ASN295E, ASN312E, ASN338E, ASN345D, ASN345E, ASN415D, ASP302E, ASP340E, ASP346D, ASP346E, ASP390D, CYS351E, GLN317E, GLN397D, GLN397E, GLN410E, GLU431D, GLY305E, GLY306E, GLY308D, GLY308E, GLY395D, GLY402E, GLY432D, GLY433D, GLY434D, HIS349D, HIS349E, HIS388D, ILE300D, ILE300E, ILE307D, ILE307E, ILE341E, ILE343E, ILE348D, ILE348E, ILE350E, ILE401E, LEU296D, LEU296E, LEU352E, LEU416D, LYS414D, LYS414E, LYS442E, MET309D, MET309E, MET412D, MET412E, MET446E, PHE315E, PHE342E, PHE387D, PHE454D, PRO299D, PRO299E, PRO311E, PRO353E, PRO385D, PRO409E, PRO444E, PRO451D, PRO451E, SER304E, SER310D, SER310E, SER339E, SER413D, SER413E, SER435D, SER449D, SER449E, SER453D, THR393D, THR398D, THR398E, THR408E, THR447E, TRP417D, TRP443E, TYR298D, TYR313D, TYR313E, TYR347D, TYR347E, TYR394D, TYR411D, TYR411E, TYR450D, TYR450E, VAL303E, VAL344D, VAL344E, VAL391D, VAL392D, VAL399D, VAL399E, VAL418D, VAL448E
• D-F: ALA301D, ALA301F, ALA354D, ALA386F, ALA396F, ALA400D, ALA400F, ALA445D, ARG297F, ARG314D, ARG314F, ARG316D, ARG429F, ARG452F, ASN295F, ASN312D, ASN338D, ASN345D, ASN345F, ASN415F, ASP302D, ASP340D, ASP346D, ASP346F, ASP362F, ASP390F, CYS351D, GLN317D, GLN397D, GLN397F, GLN410D, GLU431F, GLY305D, GLY306D, GLY308D, GLY308F, GLY395F, GLY402D, GLY432F, GLY433F, GLY434F, HIS349D, HIS349F, HIS388F, ILE300D, ILE300F, ILE307D, ILE307F, ILE341D, ILE343D, ILE348D, ILE348F, ILE350D, ILE401D, LEU296D, LEU296F, LEU352D, LEU416D, LEU416F, LYS414D, LYS414F, LYS442D, MET309D, MET309F, MET412D, MET412F, MET446D, PHE315D, PHE342D, PHE387F, PHE454F, PRO294F, PRO299D, PRO299F, PRO311D, PRO353D, PRO385F, PRO409D, PRO444D, PRO451D, PRO451F, SER304D, SER310D, SER310F, SER339D, SER413D, SER413F, SER435F, SER449D, SER449F, SER453F, THR393F, THR398D, THR398F, THR408D, THR447D, THR455F, TRP417F, TRP443D, TYR298F, TYR313D, TYR313F, TYR347D, TYR347F, TYR394F, TYR411D, TYR411F, TYR450D, TYR450F, VAL303D, VAL344D, VAL344F, VAL391F, VAL392F, VAL399D, VAL399F, VAL418F, VAL448D
• E-F: ALA301E, ALA301F, ALA354F, ALA386E, ALA396E, ALA400E, ALA400F, ALA445F, ARG297E, ARG314E, ARG314F, ARG316F, ARG429E, ARG452E, ASN295E, ASN312F, ASN338F, ASN345E, ASN345F, ASN415E, ASP302F, ASP340F, ASP346E, ASP346F, ASP362E, ASP390E, CYS351F, GLN317F, GLN397E, GLN397F, GLN410F, GLU431E, GLY305F, GLY306F, GLY308E, GLY308F, GLY395E, GLY402F, GLY432E, GLY433E, GLY434E, HIS349E, HIS349F, HIS388E, ILE300E, ILE300F, ILE307E, ILE307F, ILE341F, ILE343F, ILE348E, ILE348F, ILE350F, ILE401F, LEU296E, LEU296F, LEU352F, LEU416E, LEU416F, LYS414E, LYS414F, LYS442F, MET309E, MET309F, MET412E, MET412F, MET446F, PHE315F, PHE342F, PHE355F, PHE387E, PHE454E, PRO294E, PRO299E, PRO299F, PRO311F, PRO353F, PRO385E, PRO409F, PRO444F, PRO451E, PRO451F, SER304F, SER310E, SER310F, SER339F, SER413E, SER413F, SER435E, SER449E, SER449F, SER453E, THR393E, THR398E, THR398F, THR408F, THR447F, TRP417E, TRP443F, TYR298E, TYR313E, TYR313F, TYR347E, TYR347F, TYR394E, TYR411E, TYR411F, TYR450E, TYR450F, VAL303F, VAL344E, VAL344F, VAL391E, VAL392E, VAL399E, VAL399F, VAL418E, VAL448F