3TD4

crystal structure of ompa-like domain from acinetobacter baumannii in complex with diaminopimelate

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 75
  • Norm. En. per Res.: -7.202
• Hub Node: A(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-C	-166.1764	-15.3839	-253.207	-434.7673	77	45	1	10688	4	32	44
A-D	0.0	0.0	-1.9161	-1.9161	14	0	0	209	0	5	3
A-E	-8.8154	0.0	-57.8593	-66.6747	30	3	2	2466	0	6	6
A-F	0.0	4.1467	-31.3982	-27.2515	43	5	0	1940	0	10	10
A-G	-6.4136	11.2706	-76.831	-71.974	39	2	0	3073	0	15	19
B-D	-156.3757	-38.7333	-332.011	-527.1201	77	18	0	11107	5	33	47
B-E	-3.0488	7.1133	-36.4435	-32.3791	38	2	0	1923	0	9	8
B-H	-4.6948	7.4861	-61.2244	-58.4331	39	1	0	2742	0	14	17
C-F	-6.5986	13.1427	-65.1313	-58.5871	40	2	0	2965	0	14	20
D-E	-4.6253	11.928	-69.9234	-62.6207	40	0	0	2967	0	14	17
E-H	-133.3661	-29.3181	-245.629	-408.3132	68	25	1	9327	5	28	38
F-G	-177.7088	-39.3586	-323.08	-540.1474	75	31	0	11099	5	33	45

Interface residues

• A-C: ALA250A, ALA250C, ALA253A, ALA253C, ALA333A, ALA333C, ARG231A, ARG231C, ARG339A, ARG339C, ASN227A, ASN227C, ASP225A, ASP225C, GLN244A, GLN244C, GLU221A, GLU221C, GLU224A, GLU224C, GLU229A, GLU229C, GLU248A, GLU248C, GLU254A, GLU254C, GLU258A, GLU258C, GLY337A, GLY337C, HIS219A, HIS219C, ILE249A, ILE249C, ILE335A, ILE335C, LEU222A, LEU222C, LEU226A, LEU226C, LEU230A, LEU230C, LEU294C, LYS242C, LYS251A, LYS251C, LYS255A, LYS255C, MET220A, MET220C, MET228A, MET228C, MET327C, PHE233A, PHE233C, PHE332A, PHE332C, PRO247A, PRO247C, SER218A, SER338A, SER338C, THR223A, THR223C, THR334A, THR334C, THR336A, THR336C, TYR245A, TYR245C, TYR259A, TYR259C, VAL232A, VAL232C, VAL252A, VAL252C, VAL331C
• A-D: ALA250D, ALA253D, ASN237A, ASN240A, ASN299D, ASP235A, GLU254D, GLU297D, LYS238A, LYS242A, LYS322A, SER257D, THR236A, TYR298D
• A-E: ALA293E, ALA302E, ARG276A, ARG281A, ARG304E, ASN237A, ASN279A, ASN288E, ASN296E, ASN299E, ASP301E, GLU280A, GLU297E, GLY274A, LEU278A, LEU294E, LEU305E, LYS277A, LYS291E, PRO275A, SER289E, SER292E, SER303E, THR273A, THR307E, TRP312A, TYR298E, VAL290E, VAL295E, VAL300E
• A-F: ALA262A, ALA262F, ARG265A, ARG265F, ARG304A, ARG339A, ARG339F, ASN227A, ASN227F, ASN261A, ASN261F, ASP225A, ASP225F, GLU221A, GLU221F, GLU224A, GLU224F, GLY337A, GLY337F, HIS219A, HIS219F, ILE335A, ILE335F, LEU222A, LEU222F, LEU226A, LEU226F, MET220A, MET220F, PRO260A, PRO260F, SER218A, SER218F, SER338A, SER338F, THR223A, THR223F, THR263A, THR263F, THR334A, THR334F, THR336A, THR336F
• A-G: ALA250G, ALA253G, ALA262A, ALA264A, ALA302A, ARG265A, ARG304A, ASN261A, ASP243G, ASP301A, GLN244G, GLN308A, GLU248G, GLU254G, GLU267A, GLY309A, GLY337A, ILE249G, ILE266A, LEU284A, LEU305A, LYS242G, LYS246G, LYS251G, LYS255G, LYS291A, MET228G, PHE310A, PRO247G, PRO260A, SER303A, SER306A, THR263A, THR307A, THR334A, THR336A, TYR245G, TYR259A, TYR298G
• B-D: ALA250B, ALA250D, ALA253B, ALA333B, ALA333D, ARG231B, ARG231D, ARG339B, ARG339D, ASN227B, ASN227D, ASP225B, ASP225D, GLN244B, GLN244D, GLU221B, GLU221D, GLU224B, GLU224D, GLU229B, GLU229D, GLU248B, GLU248D, GLU254B, GLU254D, GLU258B, GLU258D, GLY217B, GLY337B, GLY337D, HIS219B, HIS219D, ILE249B, ILE249D, ILE335B, ILE335D, LEU222B, LEU222D, LEU226B, LEU226D, LEU230B, LEU230D, LYS242D, LYS251B, LYS251D, LYS255B, LYS255D, MET220B, MET220D, MET228B, MET228D, MET327B, PHE233B, PHE233D, PHE332B, PHE332D, PRO247B, PRO247D, SER218B, SER338B, SER338D, THR223B, THR223D, THR334B, THR334D, THR336B, THR336D, TYR245B, TYR245D, TYR259B, TYR259D, VAL232B, VAL232D, VAL252B, VAL252D, VAL331B, VAL331D
• B-E: ALA262B, ALA262E, ALA264E, ARG265E, ARG304B, ARG304E, ARG339B, ARG339E, ASN227E, ASN261B, ASN261E, ASP225E, GLU221B, GLU221E, GLU224B, GLU224E, GLY217B, GLY337B, GLY337E, HIS219B, ILE335E, LEU222B, LEU222E, LEU226E, MET220B, MET220E, PRO260B, PRO260E, SER218B, SER338B, SER338E, THR223B, THR223E, THR263B, THR263E, THR334E, THR336B, THR336E
• B-H: ALA250H, ALA262B, ALA264B, ALA302B, ARG265B, ARG304B, ASN240H, ASN261B, ASP235H, ASP243H, ASP301B, GLN244H, GLN308B, GLU248H, GLU254H, GLU267B, GLY309B, GLY337B, ILE249H, ILE266B, LEU284B, LEU305B, LYS242H, LYS246H, LYS251H, LYS255H, LYS291B, MET228H, PHE310B, PRO247H, PRO260B, SER303B, SER306B, THR263B, THR307B, THR334B, THR336B, TYR245H, TYR298H
• C-F: ALA250C, ALA253C, ALA262F, ALA264F, ALA302F, ARG265F, ARG304F, ASN240C, ASN261F, ASP243C, ASP301F, GLN244C, GLN308F, GLU248C, GLU254C, GLU267F, GLY309F, GLY337F, ILE249C, ILE266F, LEU284F, LEU305F, LYS242C, LYS246C, LYS251C, LYS255C, LYS291F, MET228C, PHE310F, PRO247C, PRO260F, SER303F, SER306F, THR263F, THR307F, THR334F, THR336F, TYR245C, TYR259F, TYR298C
• D-E: ALA250D, ALA253D, ALA262E, ALA264E, ALA302E, ARG265E, ARG304E, ASN240D, ASN261E, ASP243D, ASP301E, GLN244D, GLN308E, GLU248D, GLU254D, GLU267E, GLY309E, GLY337E, ILE249D, ILE266E, LEU284E, LEU305E, LYS242D, LYS246D, LYS251D, LYS255D, LYS291E, MET228D, PHE233D, PHE310E, PRO247D, PRO260E, SER303E, SER306E, THR263E, THR307E, THR334E, THR336E, TYR245D, TYR298D
• E-H: ALA250E, ALA333E, ALA333H, ARG231E, ARG231H, ARG339E, ARG339H, ASN227E, ASN227H, ASP225E, ASP225H, GLN244E, GLU221E, GLU221H, GLU224E, GLU224H, GLU229E, GLU229H, GLU248E, GLU248H, GLU254H, GLU258E, GLU258H, GLY337E, GLY337H, HIS219H, ILE249E, ILE249H, ILE335E, ILE335H, LEU222E, LEU222H, LEU226E, LEU226H, LEU230E, LEU230H, LYS251E, LYS251H, LYS255E, LYS255H, MET220E, MET220H, MET228E, MET228H, MET327E, PHE233E, PHE233H, PHE332E, PHE332H, PRO247E, PRO247H, SER338E, SER338H, THR223E, THR223H, THR334E, THR334H, THR336E, THR336H, TYR245E, TYR245H, TYR259E, TYR259H, VAL232E, VAL232H, VAL252E, VAL252H, VAL331E
• F-G: ALA250F, ALA250G, ALA253F, ALA333F, ALA333G, ARG231F, ARG231G, ARG330G, ARG339F, ARG339G, ASN227F, ASN227G, ASP225F, ASP225G, GLN244F, GLN244G, GLU221F, GLU221G, GLU224F, GLU224G, GLU229F, GLU229G, GLU248F, GLU248G, GLU254F, GLU254G, GLU258F, GLU258G, GLY337F, GLY337G, HIS219F, HIS219G, ILE249F, ILE249G, ILE335F, ILE335G, LEU222F, LEU222G, LEU226F, LEU226G, LEU230F, LEU230G, LYS251F, LYS251G, LYS255F, LYS255G, MET220F, MET220G, MET228F, MET228G, PHE233F, PHE233G, PHE332F, PHE332G, PRO247F, PRO247G, SER218F, SER218G, SER338F, SER338G, THR223F, THR223G, THR334F, THR336F, THR336G, TYR245F, TYR245G, TYR259F, TYR259G, VAL232F, VAL232G, VAL252F, VAL252G, VAL331F, VAL331G