3PV3

structure of legionella fallonii degq (s193a variant)

• Total interactions analyzed: 28
• Total true interactions: 8
• Strongest Interaction:
  • Chains: D-H
  • Int. Res.: 46
  • Norm. En. per Res.: -3.7392
• 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	-35.0248	-14.1763	-222.195	-271.3961	106	14	7	9431	0	15	9
A-C	-27.1115	-20.7829	-186.941	-234.8355	97	12	6	8254	1	13	8
A-E	-39.9158	0.0	-87.3585	-127.2743	42	5	0	4020	0	0	0
B-C	-29.9899	-20.7669	-192.661	-243.4177	105	13	8	8951	2	14	8
B-F	-36.8044	0.0	-112.973	-149.7774	47	4	0	4906	0	0	0
C-D	-27.7641	4.5635	-185.8	-209.0006	96	13	5	8126	0	14	13
C-G	-8.845	0.0	-70.2677	-79.1127	38	5	0	3161	0	0	0
D-H	-55.4874	0.0	-116.518	-172.0054	46	8	0	4945	0	0	0

Interface residues

• A-B: ALA10B, ALA144B, ALA160B, ALA167A, ALA186A, ALA186B, ALA187B, ALA200A, ALA200B, ARG100B, ARG101B, ARG170A, ASN124B, ASN147B, ASN189B, ASN192B, ASN199A, ASN218B, ASN22B, ASP140A, ASP172A, ASP185A, ASP185B, ASP268A, ASP98B, GLN158B, GLN183A, GLN261A, GLN270A, GLN304A, GLN97B, GLU137A, GLU258A, GLU267A, GLY139A, GLY146B, GLY150B, GLY163A, GLY163B, GLY202A, GLY216B, GLY217B, GLY220A, GLY220B, GLY222A, GLY99B, HIS254A, ILE145B, ILE164A, ILE164B, ILE188B, ILE211B, ILE221A, LEU102B, LEU136A, LEU13B, LEU151B, LEU168A, LEU212A, LEU255A, LEU259A, LEU96B, LYS123B, LYS135A, LYS14B, LYS169A, LYS201A, MET17B, MET6B, MET9A, MET9B, PHE141A, PHE141B, PHE149B, PHE162A, PHE162B, PHE223A, PHE269A, PRO11B, PRO148B, PRO190B, PRO257A, PRO7A, PRO7B, SER157B, SER159B, SER166A, SER171A, SER213A, SER213B, SER8B, THR161B, THR184A, THR256A, THR306A, THR95B, TYR215B, VAL12A, VAL12B, VAL138A, VAL142A, VAL142B, VAL143B, VAL165A, VAL219A, VAL219B
• A-C: ALA10A, ALA144A, ALA160A, ALA167C, ALA186A, ALA186C, ALA187A, ALA200C, ARG100A, ARG101A, ARG170C, ASN124A, ASN147A, ASN156A, ASN189A, ASN192A, ASN199C, ASN5A, ASP140C, ASP185A, ASP185C, ASP268C, ASP98A, GLN158A, GLN183C, GLN261C, GLN270C, GLN304C, GLN97A, GLU137C, GLU203C, GLU258C, GLU267C, GLY139C, GLY146A, GLY150A, GLY163A, GLY163C, GLY202C, GLY220A, GLY220C, GLY99A, HIS254C, ILE145A, ILE164C, ILE188A, ILE205C, ILE211A, ILE221C, LEU102A, LEU136C, LEU13A, LEU151A, LEU168C, LEU255C, LEU259C, LEU96A, LYS103A, LYS123A, LYS135C, LYS14A, LYS169C, LYS201C, MET17A, MET6A, MET9A, MET9C, PHE141A, PHE141C, PHE149A, PHE162A, PHE162C, PHE223C, PRO11A, PRO148A, PRO190A, PRO257C, PRO7A, PRO7C, SER157A, SER159A, SER166C, SER213A, SER8A, THR161A, THR184C, THR256C, THR93A, THR95A, VAL12A, VAL138C, VAL142A, VAL142C, VAL143A, VAL165C, VAL219A, VAL219C
• A-E: ALA193A, ALA210A, ARG87A, ASN147A, ASN189A, ASN192A, ASN208A, ASN82A, ASP114A, ASP172A, ASP83A, GLU64A, GLY150A, GLY191A, GLY194A, GLY195A, GLY222A, GLY67A, HIS84A, ILE188A, ILE211A, ILE221A, ILE66A, LEU212A, PHE149A, PHE181A, PHE223A, PHE63A, PRO148A, PRO190A, SER213A, SER65A, SER68A, THR209A, UNK12E, UNK13E, UNK14E, UNK15E, UNK16E, UNK17E, VAL25A, VAL85A
• B-C: ALA10C, ALA122C, ALA144C, ALA160C, ALA167B, ALA186B, ALA186C, ALA187C, ALA200B, ALA200C, ARG100C, ARG101C, ARG170B, ASN124C, ASN147C, ASN189C, ASN192C, ASN199B, ASN218B, ASP140B, ASP172B, ASP185B, ASP185C, ASP268B, ASP98C, GLN158C, GLN183B, GLN261B, GLN270B, GLN304B, GLN97C, GLU137B, GLU203B, GLU258B, GLU267B, GLY139B, GLY146C, GLY150C, GLY163B, GLY163C, GLY191C, GLY202B, GLY217B, GLY220B, GLY220C, GLY99C, HIS254B, ILE145C, ILE164B, ILE188C, ILE205B, ILE221B, LEU102C, LEU136B, LEU13C, LEU151C, LEU168B, LEU173B, LEU212B, LEU255B, LEU96C, LYS123C, LYS135B, LYS14C, LYS169B, LYS201B, MET17C, MET6C, MET9B, MET9C, PHE141B, PHE141C, PHE149C, PHE162B, PHE162C, PHE223B, PHE269B, PRO11C, PRO148C, PRO190C, PRO214B, PRO257B, PRO7B, PRO7C, SER157C, SER159C, SER166B, SER171B, SER213B, SER8C, THR161C, THR184B, THR256B, THR95C, TYR215B, VAL12B, VAL12C, VAL138B, VAL142B, VAL142C, VAL143C, VAL165B, VAL198B, VAL219B, VAL219C
• B-F: ALA193B, ALA210B, ARG87B, ASN147B, ASN174B, ASN189B, ASN192B, ASN208B, ASN82B, ASP114B, GLU64B, GLY191B, GLY194B, GLY195B, GLY216B, GLY217B, GLY222B, GLY67B, HIS84B, ILE188B, ILE211B, ILE221B, ILE66B, ILE86B, LEU173B, LEU212B, PHE149B, PHE181B, PHE223B, PHE63B, PRO148B, PRO190B, PRO214B, SER213B, SER65B, SER68B, THR209B, TYR215B, UNK12F, UNK13F, UNK14F, UNK15F, UNK16F, UNK17F, UNK18F, VAL25B, VAL85B
• C-D: ALA260D, ALA262D, ALA290D, ALA359D, ALA362C, ALA362D, ALA381D, ALA390C, ARG327D, ARG361C, ARG361D, ARG429C, ASN278D, ASN280D, ASN329D, ASN352D, ASN372C, ASN402C, ASP292D, ASP328D, ASP408D, GLN253D, GLN261D, GLN276D, GLN365C, GLN377C, GLN377D, GLN413D, GLN426C, GLU258D, GLU326D, GLU364C, GLU366C, GLU422C, GLY249D, GLY264D, GLY291D, GLY357D, GLY371C, GLY380D, GLY430C, GLY432C, HIS254D, HIS370C, ILE250D, ILE293D, ILE399C, ILE439C, LEU247D, LEU255D, LEU259D, LEU273D, LEU348D, LEU355D, LEU358D, LEU360D, LEU423C, LEU424C, LEU428C, LEU436C, LEU437C, LYS289D, LYS403C, LYS410D, LYS420C, LYS421C, MET263D, MET434C, PHE251D, PHE363C, PRO257D, PRO279D, PRO368C, PRO369C, PRO431C, SER275D, SER281D, SER367C, SER382D, SER385D, SER400C, SER433C, THR256D, TYR265D, TYR356D, TYR435C, VAL252D, VAL274D, VAL277D, VAL376D, VAL378D, VAL379D, VAL409D, VAL425C, VAL427C, VAL438C
• C-G: ALA193C, ARG87C, ASN147C, ASN189C, ASN192C, ASN208C, ASN82C, ASP114C, GLU64C, GLY150C, GLY191C, GLY194C, GLY195C, GLY222C, GLY67C, HIS84C, ILE188C, ILE221C, ILE66C, ILE86C, LEU29C, PHE149C, PHE181C, PHE223C, PHE63C, PRO148C, PRO190C, SER65C, SER68C, UNK13G, UNK14G, UNK15G, UNK16G, UNK17G, UNK18G, VAL23C, VAL25C, VAL85C
• D-H: ALA193D, ALA210D, ALA24D, ARG87D, ASN147D, ASN189D, ASN192D, ASN208D, ASN82D, ASP114D, GLU64D, GLY150D, GLY191D, GLY194D, GLY195D, GLY216D, GLY217D, GLY222D, GLY67D, HIS84D, ILE188D, ILE211D, ILE221D, ILE66D, LEU212D, PHE149D, PHE181D, PHE223D, PHE63D, PRO148D, PRO190D, SER213D, SER65D, SER68D, THR209D, TYR215D, UNK11H, UNK12H, UNK13H, UNK14H, UNK15H, UNK16H, UNK17H, UNK18H, VAL25D, VAL85D