3MIW

crystal structure of rotavirus nsp4

• Total interactions analyzed: 45
• Total true interactions: 25
• Strongest Interaction:
  • Chains: C-A
  • Int. Res.: 15
  • Norm. En. per Res.: -4.8066
• 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
B-C	-14.6564	47.4706	-288.703	-255.8889	90	36	8	12470	0	38	46
B-E	0.0	0.0	-1.5027	-1.5027	25	0	0	320	0	3	4
B-G	0.0	0.0	-1.9903	-1.9903	24	0	0	356	0	3	3
B-I	-20.3725	25.3123	-236.482	-231.5422	86	40	11	11498	1	39	45
C-E	-17.4029	28.4221	-165.275	-154.2558	88	14	8	8942	0	34	49
C-G	0.0	0.0	-1.8421	-1.8421	21	0	0	313	0	2	1
C-I	0.0	0.0	-1.8896	-1.8896	28	0	0	348	0	3	3
C-A	-10.9869	-38.7161	-22.3962	-72.0992	15	3	0	917	3	9	7
C-D	0.0	0.0	-0.0107	-0.0107	3	0	0	7	0	0	0
E-G	0.0	30.0349	-201.978	-171.9431	84	22	10	9334	0	38	46
E-I	0.0	0.0	-1.7221	-1.7221	24	0	0	322	0	3	3
E-A	0.0	-10.3519	-17.9795	-28.3314	27	1	0	871	0	23	22
E-D	0.0	-7.1861	-6.0546	-13.2407	11	0	0	412	0	3	5
E-J	0.0	0.0	-0.0426	-0.0426	6	0	0	16	0	8	5
G-I	-16.5976	32.3397	-193.248	-177.5058	77	42	7	10147	0	34	44
A-D	-13.8345	0.0393	-227.414	-241.2092	84	22	12	10686	1	37	45
A-F	0.0	0.0	-0.8381	-0.8381	23	0	0	206	0	3	2
A-H	0.0	0.0	-1.6325	-1.6325	28	0	0	318	0	2	2
A-J	-19.6741	34.6094	-197.674	-182.7388	82	26	10	9430	0	36	47
D-F	-7.9872	42.7187	-163.882	-129.1505	85	22	6	8554	0	34	47
D-H	0.0	0.0	-1.4374	-1.4374	24	0	0	292	0	3	2
D-J	0.0	0.0	-1.8971	-1.8971	29	0	0	420	0	4	3
F-H	-25.4708	38.669	-218.207	-205.0088	82	24	3	10098	0	34	48
F-J	0.0	0.0	-1.6499	-1.6499	25	0	0	376	0	3	3
H-J	-6.9706	29.1872	-247.99	-225.7734	82	39	11	11383	0	37	44

Interface residues

• B-C: ARG101B, ARG101C, ARG107B, ARG107C, ARG108B, ARG108C, ARG119B, ARG119C, ARG129B, ARG129C, ARG137B, ARG137C, ASN133B, ASN133C, ASP100B, ASP100C, ASP114B, ASP114C, ASP132B, ASP132C, GLN109B, GLN109C, GLN123B, GLN123C, GLN97B, GLN97C, GLN98B, GLN98C, GLU105B, GLU105C, GLU111B, GLU111C, GLU120B, GLU120C, GLU122B, GLU122C, GLU125B, GLU125C, GLU96B, GLU96C, HIS131B, HIS131C, ILE102B, ILE102C, ILE113B, ILE113C, ILE121B, ILE121C, ILE124B, ILE124C, ILE130B, ILE130C, ILE135B, ILE135C, ILE95B, ILE95C, LEU110B, LEU110C, LEU116B, LEU116C, LEU126B, LEU126C, LEU127B, LEU127C, LEU134B, LEU134C, LYS104B, LYS104C, LYS115B, LYS115C, LYS128B, LYS128C, MET106B, MET106C, MET112B, MET112C, MET94B, MET94C, MET99B, MET99C, PRO138C, THR117B, THR117C, THR118B, THR118C, THR136B, THR136C, VAL103B, VAL103C, VAL139C
• B-E: GLN109B, GLN109E, GLN123B, GLN123E, GLU105B, GLU120B, GLU120E, GLU96E, ILE102B, ILE102E, ILE113B, ILE113E, ILE124E, ILE130B, ILE95B, ILE95E, LEU116B, LEU116E, LEU127B, LEU127E, LEU134B, LEU134E, MET106E, MET99B, MET99E
• B-G: GLN109B, GLN109G, GLN123B, GLN123G, GLN98G, GLU105G, GLU120B, GLU120G, ILE102B, ILE102G, ILE113B, ILE113G, ILE124B, ILE130B, ILE130G, LEU110B, LEU116B, LEU116G, LEU127B, LEU127G, LEU134B, MET106B, MET106G, MET99B
• B-I: ARG101B, ARG101I, ARG107B, ARG107I, ARG108B, ARG108I, ARG119B, ARG119I, ARG129B, ARG129I, ARG137B, ASN133B, ASN133I, ASP100B, ASP100I, ASP114B, ASP114I, ASP132B, ASP132I, GLN109B, GLN109I, GLN123B, GLN123I, GLN97B, GLN97I, GLN98B, GLN98I, GLU105B, GLU105I, GLU111B, GLU111I, GLU120B, GLU120I, GLU122B, GLU122I, GLU125B, GLU125I, GLU96B, GLU96I, HIS131B, HIS131I, ILE102B, ILE102I, ILE113B, ILE113I, ILE121B, ILE121I, ILE124B, ILE124I, ILE130B, ILE130I, ILE135B, ILE95B, ILE95I, LEU110B, LEU110I, LEU116B, LEU116I, LEU126B, LEU126I, LEU127B, LEU127I, LEU134B, LEU134I, LYS104B, LYS104I, LYS115B, LYS115I, LYS128B, LYS128I, MET106B, MET106I, MET112B, MET112I, MET94B, MET94I, MET99B, MET99I, THR117B, THR117I, THR118B, THR118I, THR136B, THR136I, VAL103B, VAL103I
• C-E: ARG101C, ARG101E, ARG107C, ARG107E, ARG108C, ARG119C, ARG119E, ARG129C, ARG129E, ARG137C, ARG137E, ASN133C, ASN133E, ASP100C, ASP100E, ASP114C, ASP114E, ASP132C, ASP132E, GLN109C, GLN109E, GLN123C, GLN123E, GLN97C, GLN97E, GLN98C, GLN98E, GLU105C, GLU105E, GLU111C, GLU111E, GLU120C, GLU120E, GLU122C, GLU122E, GLU125C, GLU125E, GLU96C, GLU96E, HIS131C, HIS131E, ILE102C, ILE102E, ILE113C, ILE113E, ILE121C, ILE121E, ILE124C, ILE124E, ILE130C, ILE130E, ILE135C, ILE135E, ILE95C, ILE95E, LEU110C, LEU110E, LEU116C, LEU116E, LEU126C, LEU126E, LEU127C, LEU127E, LEU134C, LEU134E, LYS104C, LYS104E, LYS115C, LYS115E, LYS128C, LYS128E, MET106C, MET106E, MET112C, MET112E, MET94C, MET94E, MET99C, MET99E, THR117C, THR117E, THR118C, THR118E, THR136C, THR136E, VAL103C, VAL103E, VAL139C
• C-G: GLN109C, GLN109G, GLN123C, GLN123G, GLU105C, GLU120C, GLU120G, ILE102C, ILE102G, ILE113C, ILE113G, ILE124G, ILE130C, ILE130G, LEU116C, LEU116G, LEU127C, LEU127G, MET106C, MET106G, MET99G
• C-I: GLN109C, GLN109I, GLN123C, GLN123I, GLN98I, GLU105I, GLU120C, GLU120I, ILE102I, ILE113C, ILE113I, ILE124C, ILE130C, ILE130I, ILE95I, LEU110C, LEU116C, LEU116I, LEU127C, LEU127I, LEU134C, MET106C, MET106I, MET99C, MET99I, THR117C, THR136I, VAL139C
• C-A: ARG101C, ARG129A, ASN133A, ASP132A, GLN97C, GLN98C, GLU125A, GLU96C, HIS131A, ILE135A, ILE95C, LEU134A, LYS128A, MET94C, THR136A
• C-D: GLN98C, HIS131D, ILE135D
• E-G: ARG101E, ARG101G, ARG107E, ARG107G, ARG108E, ARG108G, ARG119E, ARG119G, ARG129E, ARG129G, ARG137E, ASN133E, ASN133G, ASP100E, ASP100G, ASP114E, ASP114G, ASP132E, ASP132G, GLN109E, GLN109G, GLN123E, GLN123G, GLN97E, GLN97G, GLN98E, GLN98G, GLU105E, GLU105G, GLU111E, GLU111G, GLU120E, GLU120G, GLU122E, GLU122G, GLU125E, GLU125G, GLU96E, GLU96G, HIS131E, HIS131G, ILE102E, ILE102G, ILE113E, ILE113G, ILE121E, ILE121G, ILE124E, ILE124G, ILE130E, ILE130G, ILE95E, ILE95G, LEU110E, LEU110G, LEU116E, LEU116G, LEU126E, LEU126G, LEU127E, LEU127G, LEU134E, LEU134G, LYS104E, LYS104G, LYS115E, LYS115G, LYS128E, LYS128G, MET106E, MET106G, MET112E, MET112G, MET94E, MET94G, MET99E, MET99G, THR117E, THR117G, THR118E, THR118G, THR136E, VAL103E, VAL103G
• E-I: GLN109E, GLN109I, GLN123E, GLN123I, GLU105E, GLU120E, GLU120I, GLU96I, ILE102E, ILE102I, ILE113E, ILE113I, ILE124I, ILE95E, ILE95I, LEU110I, LEU116E, LEU116I, LEU127E, LEU127I, MET106E, MET106I, MET99E, MET99I
• E-A: ARG101E, ARG107E, ARG108E, ARG119A, ARG129A, ASN133A, ASP100E, ASP114A, ASP132A, GLN97E, GLN98E, GLU105E, GLU111E, GLU122A, GLU125A, GLU96E, ILE102E, ILE121A, LEU126A, LYS104E, LYS115E, LYS128A, MET94E, MET99E, THR118A, THR136A, VAL103E
• E-D: ARG108E, ASP100E, GLN97E, GLU96E, HIS131D, ILE135D, LEU134D, LYS104E, LYS128D, MET94E, THR136D
• E-J: ARG108J, ASP114E, GLU111E, LYS115E, LYS115J, THR118E
• G-I: ARG101G, ARG101I, ARG107G, ARG107I, ARG108G, ARG108I, ARG119G, ARG119I, ARG129G, ARG129I, ASN133G, ASP100G, ASP100I, ASP114G, ASP114I, ASP132I, GLN109G, GLN109I, GLN123G, GLN123I, GLN97G, GLN97I, GLN98G, GLN98I, GLU105G, GLU105I, GLU111G, GLU111I, GLU120G, GLU120I, GLU122G, GLU122I, GLU125G, GLU125I, GLU96G, GLU96I, HIS131I, ILE102G, ILE102I, ILE113G, ILE113I, ILE121G, ILE121I, ILE124G, ILE124I, ILE130G, ILE130I, ILE95G, ILE95I, LEU110G, LEU110I, LEU116G, LEU116I, LEU126G, LEU126I, LEU127G, LEU127I, LEU134I, LYS104G, LYS104I, LYS115G, LYS115I, LYS128G, LYS128I, MET106G, MET106I, MET112G, MET112I, MET94G, MET99G, MET99I, THR117G, THR117I, THR118G, THR118I, VAL103G, VAL103I
• A-D: ARG101A, ARG101D, ARG107A, ARG107D, ARG108A, ARG108D, ARG119A, ARG119D, ARG129A, ARG129D, ARG137D, ASN133A, ASN133D, ASP100A, ASP100D, ASP114A, ASP114D, ASP132A, ASP132D, GLN109A, GLN109D, GLN123A, GLN123D, GLN97A, GLN97D, GLN98A, GLN98D, GLU105A, GLU105D, GLU111A, GLU111D, GLU120A, GLU120D, GLU122A, GLU122D, GLU125A, GLU125D, GLU96A, GLU96D, HIS131A, HIS131D, ILE102A, ILE102D, ILE113A, ILE113D, ILE121A, ILE121D, ILE124A, ILE124D, ILE130A, ILE130D, ILE135D, ILE95A, ILE95D, LEU110A, LEU110D, LEU116A, LEU116D, LEU126A, LEU126D, LEU127A, LEU127D, LEU134A, LEU134D, LYS104A, LYS104D, LYS115A, LYS115D, LYS128A, LYS128D, MET106A, MET106D, MET112A, MET112D, MET94A, MET99A, MET99D, PRO138D, THR117A, THR117D, THR118D, THR136A, VAL103A, VAL103D
• A-F: ASN133A, GLN109A, GLN109F, GLN123A, GLN123F, GLN98A, GLU120A, GLU120F, ILE102A, ILE102F, ILE124F, ILE130A, ILE130F, ILE95A, ILE95F, LEU110F, LEU116A, LEU116F, LEU127F, LEU134A, LEU134F, MET106A, MET99F
• A-H: ASN133H, GLN109A, GLN109H, GLN123A, GLN123H, GLN98H, GLU105H, GLU120A, GLU120H, GLU96A, ILE102A, ILE102H, ILE124A, ILE130A, ILE130H, ILE95A, ILE95H, LEU110A, LEU116A, LEU116H, LEU127A, LEU127H, LEU134A, MET106A, MET106H, MET99A, MET99H, THR117A
• A-J: ARG101A, ARG101J, ARG107A, ARG107J, ARG108J, ARG119A, ARG119J, ARG129A, ARG129J, ASN133A, ASN133J, ASP100A, ASP100J, ASP114A, ASP132A, ASP132J, GLN109A, GLN109J, GLN123A, GLN123J, GLN97A, GLN97J, GLN98A, GLN98J, GLU105A, GLU105J, GLU111A, GLU111J, GLU120A, GLU120J, GLU122A, GLU122J, GLU125A, GLU125J, GLU96A, GLU96J, HIS131A, HIS131J, ILE102A, ILE102J, ILE113A, ILE113J, ILE121A, ILE121J, ILE124A, ILE124J, ILE130A, ILE130J, ILE135A, ILE135J, ILE95A, ILE95J, LEU110A, LEU110J, LEU116A, LEU116J, LEU126A, LEU126J, LEU127A, LEU127J, LEU134A, LEU134J, LYS104A, LYS104J, LYS115J, LYS128A, LYS128J, MET106A, MET106J, MET112A, MET112J, MET94A, MET94J, MET99A, MET99J, THR117A, THR117J, THR118A, THR118J, THR136A, VAL103A, VAL103J
• D-F: ARG101D, ARG101F, ARG107D, ARG107F, ARG108D, ARG119D, ARG119F, ARG129D, ARG129F, ARG137D, ARG137F, ASN133D, ASN133F, ASP100D, ASP100F, ASP114F, ASP132D, ASP132F, GLN109D, GLN109F, GLN123D, GLN123F, GLN97D, GLN97F, GLN98D, GLN98F, GLU105D, GLU111D, GLU111F, GLU120D, GLU120F, GLU122D, GLU122F, GLU125D, GLU125F, GLU96D, GLU96F, HIS131D, HIS131F, ILE102D, ILE102F, ILE113D, ILE113F, ILE121D, ILE121F, ILE124D, ILE124F, ILE130D, ILE130F, ILE135D, ILE135F, ILE95D, ILE95F, LEU110D, LEU110F, LEU116D, LEU116F, LEU126D, LEU126F, LEU127D, LEU127F, LEU134D, LEU134F, LYS104D, LYS104F, LYS115D, LYS115F, LYS128D, LYS128F, MET106D, MET106F, MET112D, MET112F, MET94D, MET99D, MET99F, PRO138D, THR117D, THR117F, THR118D, THR118F, THR136D, THR136F, VAL103D, VAL103F
• D-H: GLN109D, GLN109H, GLN123D, GLN123H, GLU120D, GLU120H, ILE102D, ILE102H, ILE113D, ILE113H, ILE124H, ILE130D, ILE130H, ILE95D, ILE95H, LEU116D, LEU116H, LEU126D, LEU127D, LEU127H, MET106D, MET106H, MET99D, MET99H
• D-J: ARG119J, GLN109D, GLN109J, GLN123D, GLN123J, GLN98J, GLU105J, GLU120D, GLU120J, ILE102D, ILE102J, ILE113D, ILE113J, ILE124D, ILE130D, ILE130J, ILE95D, ILE95J, LEU116D, LEU116J, LEU126J, LEU127D, LEU127J, LEU134D, LEU134J, MET106D, MET106J, MET99D, MET99J
• F-H: ARG101F, ARG101H, ARG107F, ARG107H, ARG108F, ARG108H, ARG119F, ARG119H, ARG129F, ARG129H, ARG137F, ASN133F, ASN133H, ASP100F, ASP100H, ASP114F, ASP114H, ASP132F, ASP132H, GLN109F, GLN109H, GLN123F, GLN123H, GLN97F, GLN97H, GLN98F, GLN98H, GLU105F, GLU105H, GLU111F, GLU111H, GLU120F, GLU120H, GLU122F, GLU122H, GLU125F, GLU125H, GLU96F, GLU96H, HIS131F, HIS131H, ILE102F, ILE102H, ILE113F, ILE113H, ILE121F, ILE121H, ILE124F, ILE124H, ILE130F, ILE130H, ILE95F, ILE95H, LEU110F, LEU110H, LEU116F, LEU116H, LEU126F, LEU126H, LEU127F, LEU127H, LEU134F, LEU134H, LYS104F, LYS104H, LYS115F, LYS115H, LYS128F, LYS128H, MET106F, MET106H, MET112F, MET112H, MET94F, MET99F, MET99H, THR117F, THR117H, THR118F, THR118H, VAL103F, VAL103H
• F-J: GLN109F, GLN109J, GLN123F, GLN123J, GLN98F, GLU105F, GLU120F, GLU120J, ILE102F, ILE102J, ILE113J, ILE124J, ILE130F, ILE130J, LEU110J, LEU116F, LEU116J, LEU126F, LEU127F, LEU127J, LEU134F, LEU134J, MET106J, MET99F, MET99J
• H-J: ARG101H, ARG101J, ARG107H, ARG107J, ARG108H, ARG108J, ARG119H, ARG119J, ARG129H, ARG129J, ASN133H, ASN133J, ASP100H, ASP100J, ASP114H, ASP114J, ASP132H, ASP132J, GLN109H, GLN109J, GLN123H, GLN123J, GLN97H, GLN97J, GLN98H, GLN98J, GLU105H, GLU105J, GLU111H, GLU111J, GLU120H, GLU120J, GLU122H, GLU122J, GLU125H, GLU125J, GLU96H, GLU96J, HIS131H, HIS131J, ILE102H, ILE102J, ILE113H, ILE113J, ILE121H, ILE121J, ILE124H, ILE124J, ILE130H, ILE130J, ILE135J, ILE95H, ILE95J, LEU110H, LEU110J, LEU116H, LEU116J, LEU126H, LEU126J, LEU127H, LEU127J, LEU134H, LEU134J, LYS104H, LYS104J, LYS115H, LYS115J, LYS128H, LYS128J, MET106H, MET106J, MET112H, MET112J, MET94J, MET99H, MET99J, THR117H, THR117J, THR118H, THR118J, VAL103H, VAL103J