3HVZ

crystal structure of the tgs domain of the clolep_03100 protein from clostridium leptum, northeast structural genomics consortium target qlr13a

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 73
  • Norm. En. per Res.: -2.7483
• Hub Node: A(3)

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	-44.9207	5.736	-151.62	-190.8046	75	13	6	7025	0	12	17
A-C	0.0	0.0	-0.1559	-0.1559	5	0	0	38	0	1	1
A-D	0.0	9.0127	-96.1645	-87.1518	43	2	4	4037	0	14	5
C-D	-44.4798	1.4484	-157.597	-200.6284	73	10	6	7241	0	12	17
C-E	0.0	0.0	-0.0902	-0.0902	3	0	0	23	0	1	1
C-F	0.0	10.0806	-86.0842	-76.0036	41	2	3	3926	0	15	5
E-F	-29.2891	3.1093	-137.559	-163.7387	69	15	5	6691	0	12	15

Interface residues

• A-B: ALA420A, ALA420B, ALA422A, ALA422B, ALA426A, ALA426B, ALA434A, ALA434B, ARG430A, ARG430B, ASN429A, ASN429B, ASP406A, ASP406B, ASP418A, ASP418B, ASP454A, ASP454B, GLU397A, GLU397B, GLY405A, GLY405B, GLY428A, GLY428B, GLY433A, GLY433B, HIS424A, HIS424B, ILE408A, ILE408B, ILE423A, ILE423B, ILE432A, ILE453A, ILE453B, LEU410A, LEU410B, LEU456A, LEU456B, LYS404A, LYS404B, LYS459A, LYS459B, PHE399A, PHE399B, PHE419A, PHE419B, PRO403A, PRO403B, PRO411A, PRO411B, SER409A, SER409B, SER414A, SER414B, SER425A, SER425B, THR402A, THR402B, THR457A, THR457B, THR458A, THR458B, TYR421A, TYR421B, VAL398A, VAL398B, VAL400A, VAL400B, VAL407A, VAL407B, VAL427A, VAL427B, VAL455A, VAL455B
• A-C: GLU397C, ILE408C, LYS435A, PHE399C, SER409C
• A-D: ALA434A, ARG430A, ARG439A, ARG439D, ASP406D, ASP437D, ASP444A, GLU397D, GLU451D, GLY405D, GLY433A, GLY438A, GLY438D, GLY450D, ILE408D, ILE417A, ILE432A, ILE440A, ILE443A, ILE452D, ILE453D, LEU456A, LYS404D, LYS435A, LYS448D, LYS459A, PHE399D, PHE401D, PRO403D, PRO442A, SER409D, THR402D, THR449D, THR457A, THR458A, TYR445A, VAL398D, VAL400D, VAL407D, VAL416A, VAL436D, VAL441A, VAL455A
• C-D: ALA420C, ALA420D, ALA422C, ALA422D, ALA426C, ALA426D, ALA434C, ALA434D, ARG430C, ARG430D, ASN429C, ASN429D, ASP406C, ASP406D, ASP418C, ASP418D, ASP454C, ASP454D, GLU397C, GLU397D, GLY405C, GLY405D, GLY428C, GLY428D, GLY433C, GLY433D, HIS424C, HIS424D, ILE408C, ILE408D, ILE423C, ILE423D, ILE432C, ILE432D, ILE453C, ILE453D, LEU410C, LEU410D, LEU456C, LEU456D, LYS404C, LYS404D, LYS459C, LYS459D, PHE399C, PHE399D, PHE419C, PHE419D, PRO403C, PRO403D, PRO411C, PRO411D, SER409C, SER409D, SER414D, SER425C, SER425D, THR402C, THR402D, THR457C, THR457D, THR458C, THR458D, TYR421C, TYR421D, VAL398C, VAL398D, VAL407C, VAL407D, VAL427C, VAL427D, VAL455C, VAL455D
• C-E: GLU397E, LYS435C, SER409E
• C-F: ALA434C, ARG430C, ARG439C, ARG439F, ASP406F, ASP437F, ASP444C, GLU397F, GLU451F, GLY405F, GLY433C, GLY438C, GLY438F, GLY450F, ILE408F, ILE417C, ILE432C, ILE440C, ILE443C, ILE452F, ILE453F, LEU456C, LYS404F, LYS435C, LYS448F, LYS459C, PHE399F, PHE401F, PRO403F, PRO442C, SER409F, THR402F, THR449F, THR457C, THR458C, TYR445C, VAL398F, VAL400F, VAL407F, VAL436F, VAL441C
• E-F: ALA420E, ALA420F, ALA422E, ALA422F, ALA426E, ALA426F, ALA434F, ARG430E, ARG430F, ASN429E, ASN429F, ASP406E, ASP406F, ASP418E, ASP418F, ASP454E, ASP454F, GLU397E, GLU397F, GLY405E, GLY405F, GLY428E, GLY428F, GLY433F, HIS424E, HIS424F, ILE408E, ILE408F, ILE423E, ILE423F, ILE453F, LEU410E, LEU410F, LEU456E, LEU456F, LYS404E, LYS404F, LYS459F, PHE399E, PHE399F, PHE419E, PHE419F, PRO403E, PRO403F, PRO411E, PRO411F, SER409E, SER409F, SER414E, SER414F, SER425E, SER425F, THR402E, THR402F, THR457E, THR457F, THR458E, THR458F, TYR421E, TYR421F, VAL398F, VAL400E, VAL400F, VAL407E, VAL407F, VAL427E, VAL427F, VAL455E, VAL455F