3O2Q

crystal structure of the human symplekin-ssu72-ctd phosphopeptide complex

• Total interactions analyzed: 10
• Total true interactions: 5
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 122
  • Norm. En. per Res.: -3.2472
• 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	-65.8719	-76.5758	-236.05	-378.4976	118	17	2	10703	4	57	42
A-D	0.0	-6.5706	-63.0466	-69.6172	36	4	3	2723	0	2	2
B-D	0.0	0.0	-0.2091	-0.2091	6	0	0	53	0	1	7
D-E	-67.4646	-70.9526	-257.741	-396.1581	122	24	2	11014	7	60	46
E-F	-9.1713	0.0	-102.484	-111.6553	43	5	0	3699	0	0	0

Interface residues

• A-B: ALA256A, ALA261A, ALA290A, ARG114B, ARG126B, ARG180A, ARG185B, ARG205A, ARG206A, ARG265A, ARG298A, ASN122A, ASN124A, ASN124B, ASN138B, ASN170B, ASN176A, ASN252A, ASN262A, ASN300A, ASN338A, ASP117B, ASP122B, ASP167B, ASP173B, ASP175A, ASP177A, CYS131B, CYS192B, GLN118B, GLN128B, GLN132B, GLN135A, GLN177B, GLN207A, GLN266A, GLN293A, GLU113B, GLU121B, GLU127B, GLU129B, GLU166B, GLU169B, GLU171B, GLU174B, GLU180B, GLU188A, GLU202A, GLU334A, GLU97A, GLY178A, GLY189A, GLY258A, HIS135B, HIS182A, HIS189B, HIS304A, ILE130A, ILE172B, ILE179A, ILE184A, ILE203A, ILE251A, ILE263A, LEU123B, LEU131A, LEU176B, LEU188B, LEU253A, LEU257A, LEU289A, LEU303A, LEU306A, LYS101A, LYS127A, LYS128A, LYS138A, LYS185A, LYS291A, LYS299A, LYS302A, LYS310A, LYS90A, MET168B, PHE186A, PHE187B, PHE193B, PRO133B, PRO204A, SER125B, SER174A, SER249A, SER250A, SER259A, SER292A, SER295A, SER296A, SER307A, THR130B, THR132A, THR134A, THR181A, THR186B, THR190B, THR254A, THR255A, THR288A, TYR116B, TYR194B, VAL120B, VAL123A, VAL134B, VAL136B, VAL137B, VAL191B, VAL192A, VAL294A, VAL297A
• A-D: ALA247A, ALA290A, ALA319D, ALA333D, ALA336D, ASN284A, ASP327D, GLN293A, GLN318D, GLN320D, GLN332D, GLU316D, HIS245A, ILE248A, ILE321D, ILE335D, LEU285A, LEU289A, LEU309D, LEU315D, LEU324D, LEU325D, LYS291A, MET339D, PHE317D, PRO246A, PRO286A, PRO287A, PRO331D, THR288A, THR322D, THR323D, THR330D, VAL244A, VAL294A, VAL326D
• B-D: ALA319D, GLN177B, GLN276D, GLN320D, GLU181B, SER272D
• D-E: ALA256D, ALA261D, ALA290D, ARG114E, ARG126E, ARG180D, ARG185E, ARG205D, ARG206D, ARG265D, ARG298D, ASN122D, ASN124D, ASN124E, ASN138E, ASN170E, ASN176D, ASN252D, ASN262D, ASN300D, ASP106E, ASP117E, ASP122E, ASP167E, ASP173E, ASP175D, ASP177D, ASP49D, CYS131E, CYS192E, GLN118E, GLN128E, GLN132E, GLN135D, GLN177E, GLN207D, GLN266D, GLN293D, GLU113E, GLU121E, GLU127E, GLU129E, GLU166E, GLU169E, GLU171E, GLU174E, GLU180E, GLU188D, GLU208D, GLU334D, GLU87D, GLU97D, GLY178D, GLY189D, GLY258D, HIS135E, HIS182D, HIS189E, HIS304D, ILE130D, ILE172E, ILE179D, ILE184D, ILE203D, ILE251D, ILE86D, LEU123E, LEU131D, LEU176E, LEU188E, LEU253D, LEU257D, LEU289D, LEU303D, LEU306D, LYS101D, LYS127D, LYS128D, LYS138D, LYS185D, LYS291D, LYS299D, LYS302D, LYS310D, LYS90D, MET168E, PHE186D, PHE187E, PHE193E, PRO133E, PRO204D, PRO5E, SER125E, SER174D, SER249D, SER250D, SER259D, SER292D, SER295D, SER296D, SER307D, SER3E, SER4E, THR130E, THR132D, THR134D, THR181D, THR186E, THR190E, THR254D, THR255D, THR288D, TYR116E, TYR194E, VAL120E, VAL123D, VAL134E, VAL136E, VAL137E, VAL191E, VAL294D, VAL297D
• E-F: ALA148E, ALA48E, ARG114E, ARG18E, ARG87E, ASN144E, ASN17E, ASN53E, ASN79E, ASN88E, ASP143E, ASP50E, GLN142E, GLN16E, GLU112E, GLU146E, GLY39E, GLY46E, GLY80E, HIS145E, HIS41E, ILE81E, LEU44E, LEU75E, LEU85E, LYS43E, LYS51E, MET84E, PRO3F, PRO45E, PRO47E, PRO49E, PRO52E, PRO6F, SER13E, SER14E, SER7F, THR40E, THR4F, TYR76E, TYR8F, VAL42E, VAL54E