3SZM

structure of human microcephalin (mcph1) tandem brct domains in complex with a gamma-h2ax phosphopeptide

• Total interactions analyzed: 120
• Total true interactions: 18
• Strongest Interaction:
  • Chains: A-I
  • Int. Res.: 29
  • Norm. En. per Res.: -3.5662
• Hub Node: C(5)

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-G	-15.0506	3.6217	-78.9464	-90.3753	51	8	1	3536	0	1	11
A-I	-25.4749	-7.5883	-70.3569	-103.4201	29	4	2	2527	0	5	2
B-D	-13.1576	-13.873	-72.5838	-99.6143	47	8	1	2987	0	2	10
B-G	-10.8537	-19.7635	-49.1184	-79.7357	39	2	0	2488	2	13	18
B-J	-25.634	-7.5632	-73.306	-106.5032	31	2	1	2501	0	5	2
C-D	0.0	3.2979	-41.6787	-38.3808	45	5	0	2480	0	12	18
C-E	-9.4864	-12.4406	-55.5343	-77.4613	40	1	0	2543	0	3	8
C-F	-30.1623	-16.3182	-135.624	-182.1045	75	7	3	6164	3	13	7
C-K	-24.1791	-8.7308	-73.0971	-106.0071	31	3	2	2486	0	5	2
C-N	0.0	0.0	-0.4967	-0.4967	5	0	0	98	0	0	0
D-L	-15.5349	-8.6377	-69.3368	-93.5094	29	1	2	2432	0	5	2
E-H	-6.6196	-2.1036	-42.2541	-50.9773	44	1	0	2415	0	12	19
E-M	-27.8873	-9.23	-73.3589	-110.4761	31	3	1	2566	0	5	2
F-H	0.0	5.6066	-73.0941	-67.4875	50	3	0	2876	2	6	10
F-K	0.0	0.0	-0.0023	-0.0023	3	0	0	2	0	0	0
F-N	-13.3647	-4.5522	-65.7393	-83.6561	29	2	2	2374	0	5	2
G-O	-20.9679	-6.8167	-68.5676	-96.3522	31	2	2	2402	0	5	3
H-P	-23.4233	-8.5422	-73.518	-105.4835	31	2	2	2518	0	5	2

Interface residues

• A-G: ALA757G, ALA793A, ALA793G, ALA806A, ARG752A, ARG752G, ARG785A, ARG785G, ARG791A, ARG791G, ASP758G, CYS782G, GLN759G, GLN788A, GLN792A, GLN792G, GLY783G, GLY784G, HIS780A, HIS780G, ILE795G, LEU755G, LYS803A, LYS805A, LYS805G, LYS809A, LYS809G, MET762A, MET762G, PHE756G, PRO750G, PRO760A, PRO760G, PRO790A, PRO790G, SER787A, SER787G, SER794A, SER794G, THR754G, THR807A, THR807G, VAL761A, VAL761G, VAL779G, VAL786A, VAL786G, VAL789A, VAL789G, VAL808A, VAL808G
• A-I: ALA138I, ARG693A, ASN696A, ASP818A, GLN140I, GLN660A, GLU141I, GLU813A, LEU692A, LEU695A, LEU698A, LEU775A, LEU778A, LEU817A, LYS690A, LYS774A, LYS814A, MET655A, PHE734A, PRO691A, PRO770A, PRO771A, SER654A, SER768A, SER769A, THR653A, THR694A, TYR142I, VAL697A
• B-D: ALA757D, ALA793B, ALA793D, ALA806B, ARG752D, ARG785B, ARG785D, ARG791B, ARG791D, ASP758D, CYS782D, GLN759B, GLN759D, GLN788B, GLN788D, GLN792B, GLN792D, GLY783D, GLY784D, HIS780D, ILE795B, ILE795D, LYS803B, LYS805B, LYS805D, LYS809B, MET762B, MET762D, PHE756D, PRO760B, PRO760D, PRO790B, PRO790D, SER787B, SER787D, SER794B, SER794D, THR754D, THR807B, THR807D, VAL761B, VAL761D, VAL779D, VAL786D, VAL789B, VAL789D, VAL808B
• B-G: ARG648B, ARG741B, ARG741G, ASP711G, GLU718G, GLU725B, GLU725G, GLU726B, GLU726G, GLU729B, GLU729G, GLY720B, HIS685B, HIS721B, HIS721G, HIS732G, HIS745B, HIS745G, ILE723B, ILE723G, LEU719B, LEU719G, PHE728B, PHE728G, PRO727B, PRO727G, PRO738B, SER716G, SER724B, SER724G, SER731B, TRP706B, TRP706G, TRP712B, TRP712G, TRP715B, TRP715G, TRP722B, TRP722G
• B-J: ALA138J, ARG693B, ASN696B, ASP818B, GLN140J, GLN660B, GLU141J, GLU813B, LEU692B, LEU695B, LEU698B, LEU775B, LEU778B, LEU817B, LYS690B, LYS774B, LYS814B, MET655B, PHE734B, PRO656B, PRO691B, PRO770B, PRO771B, SER654B, SER768B, SER769B, THR653B, THR694B, THR821B, TYR142J, VAL697B
• C-D: ALA748D, ARG648D, ARG741C, ARG741D, ASP711C, GLU718C, GLU725C, GLU725D, GLU726C, GLU726D, GLU729C, GLU729D, GLY720C, GLY720D, HIS685D, HIS721C, HIS721D, HIS732C, HIS745C, HIS745D, ILE723C, ILE723D, LEU719C, LEU719D, LEU746D, PHE728C, PHE728D, PRO727C, PRO727D, PRO738D, SER709C, SER716C, SER724C, SER724D, SER731D, SER742D, SER747D, TRP706C, TRP706D, TRP712C, TRP712D, TRP715C, TRP715D, TRP722C, TRP722D
• C-E: ALA757E, ALA793C, ALA793E, ALA806C, ARG752C, ARG752E, ARG785C, ARG785E, ARG791C, ARG791E, ASP758E, GLN759E, GLN792C, GLN792E, GLY783E, GLY784E, HIS780C, HIS780E, ILE795C, LYS805C, LYS809C, MET762C, PHE756E, PRO750E, PRO760C, PRO760E, PRO790C, SER787C, SER787E, SER794C, SER794E, THR754E, THR807C, VAL761C, VAL761E, VAL786C, VAL786E, VAL789C, VAL796C, VAL808C
• C-F: ALA676C, ALA676F, ARG648C, ARG648F, ASN661C, ASN661F, ASN696C, ASN696F, ASP668C, ASP668F, ASP678C, ASP678F, CYS680C, CYS680F, GLN660C, GLN660F, GLN665C, GLN665F, GLU658C, GLU658F, GLU681C, GLU681F, GLY672C, GLY672F, ILE664C, ILE664F, ILE675C, ILE675F, LEU650C, LEU650F, LEU670C, LEU670F, LYS644C, LYS659C, LYS659F, LYS669C, LYS669F, LYS671C, LYS671F, LYS774C, MET652C, MET652F, MET655C, MET655F, PHE673C, PHE673F, PRO646C, PRO646F, PRO656C, PRO656F, PRO677C, PRO677F, SER657C, SER657F, SER674C, SER674F, THR647C, THR647F, THR649C, THR649F, THR653C, THR653F, THR682C, THR682F, THR683C, TRP722F, VAL651C, VAL651F, VAL662C, VAL662F, VAL663C, VAL663F, VAL667C, VAL667F, VAL679C
• C-K: ALA138K, ARG693C, ASN696C, ASP818C, GLN140K, GLN660C, GLU141K, GLU813C, HIS733C, LEU692C, LEU695C, LEU698C, LEU775C, LEU778C, LEU817C, LYS690C, LYS774C, LYS814C, MET655C, PHE734C, PRO691C, PRO770C, PRO771C, SER654C, SER768C, SER769C, THR653C, THR694C, THR821C, TYR142K, VAL697C
• C-N: ALA138N, ASP668C, GLN137N, LYS669C, LYS671C
• D-L: ALA138L, ARG693D, ASN696D, ASP818D, GLN140L, GLN660D, GLU141L, GLU813D, LEU692D, LEU695D, LEU698D, LEU775D, LEU778D, LEU817D, LYS690D, LYS774D, LYS814D, MET655D, PHE734D, PRO691D, PRO770D, PRO771D, SER654D, SER768D, SER769D, THR653D, THR694D, TYR142L, VAL697D
• E-H: ALA748E, ARG648E, ARG741E, ARG741H, ASP711H, GLU718H, GLU725E, GLU725H, GLU726E, GLU726H, GLU729E, GLU729H, GLY720E, GLY749E, HIS685E, HIS721E, HIS721H, HIS732H, HIS745E, HIS745H, ILE723E, ILE723H, LEU719E, LEU719H, LEU746E, PHE728E, PHE728H, PRO727E, PRO727H, PRO738E, SER716H, SER724E, SER724H, SER731E, SER742E, SER747E, TRP706E, TRP706H, TRP712E, TRP712H, TRP715E, TRP715H, TRP722E, TRP722H
• E-M: ALA138M, ARG693E, ASN696E, ASP818E, GLN137M, GLN140M, GLN660E, GLU141M, GLU813E, LEU692E, LEU695E, LEU698E, LEU778E, LEU817E, LYS690E, LYS774E, LYS814E, MET655E, PHE734E, PRO656E, PRO691E, PRO770E, PRO771E, SER654E, SER768E, SER769E, THR653E, THR694E, THR821E, TYR142M, VAL697E
• F-H: ALA748F, ALA757F, ALA757H, ALA793F, ALA793H, ALA806H, ARG752F, ARG752H, ARG785F, ARG785H, ARG791F, ARG791H, ASP758F, ASP758H, CYS782F, GLN759F, GLN759H, GLN792F, GLN792H, GLY749F, GLY753F, GLY783F, GLY783H, GLY784F, GLY784H, HIS780F, ILE795H, LEU781F, LYS805H, LYS809F, LYS809H, MET762F, PHE756F, PHE756H, PRO750F, PRO760F, PRO760H, PRO790H, SER747F, SER787F, SER787H, SER794F, SER794H, THR754F, THR754H, THR807H, VAL761F, VAL761H, VAL789H, VAL808H
• F-K: ALA138K, ASP668F, LYS669F
• F-N: ALA138N, ARG693F, ASN696F, ASP818F, GLN140N, GLN660F, GLU141N, GLU813F, LEU692F, LEU695F, LEU698F, LEU775F, LEU778F, LEU817F, LYS774F, LYS814F, MET655F, PHE734F, PRO691F, PRO770F, PRO771F, SER654F, SER768F, SER769F, THR653F, THR694F, THR821F, TYR142N, VAL697F
• G-O: ALA138O, ARG693G, ASN696G, ASP818G, GLN140O, GLN660G, GLU141O, GLU813G, LEU692G, LEU695G, LEU698G, LEU775G, LEU778G, LEU817G, LYS690G, LYS774G, LYS814G, MET655G, PHE734G, PRO656G, PRO691G, PRO770G, PRO771G, SER654G, SER768G, SER769G, THR653G, THR694G, THR821G, TYR142O, VAL697G
• H-P: ALA138P, ARG693H, ASN696H, ASP818H, GLN140P, GLN660H, GLU141P, GLU813H, LEU692H, LEU695H, LEU698H, LEU775H, LEU778H, LEU817H, LYS690H, LYS774H, LYS814H, MET655H, PHE734H, PRO656H, PRO691H, PRO770H, PRO771H, SER654H, SER768H, SER769H, THR653H, THR694H, THR821H, TYR142P, VAL697H