2A0L

crystal structure of kvap-33h1 fv complex

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 46
  • Norm. En. per Res.: -4.3755
• 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	0.0	-8.4859	-245.002	-253.4879	146	36	16	14757	0	8	9
A-C	0.0	0.0	-12.4885	-12.4885	15	0	0	535	0	0	1
A-D	-16.9149	-17.4756	-107.44	-141.8305	44	6	1	4406	1	3	1
B-D	0.0	0.0	-0.0178	-0.0178	2	0	0	8	0	0	3
B-E	0.0	0.0	-20.6396	-20.6396	18	1	0	692	0	0	3
B-F	-53.3166	-17.4038	-130.554	-201.2744	46	18	3	5133	1	3	1
C-D	-13.2483	-2.8494	-209.374	-225.4716	84	11	8	8718	0	7	7
E-F	-17.198	-2.891	-197.458	-217.547	82	10	8	8558	0	6	7

Interface residues

• A-B: ALA100B, ALA104B, ALA156A, ALA165B, ALA186B, ALA190A, ALA190B, ALA194A, ALA194B, ALA215A, ALA223A, ALA34A, ALA35A, ALA71B, ARG57A, ASN233B, ASP143B, ASP185B, ASP201A, ASP201B, CB7.3754912.45930, GLN236B, GLN49A, GLU28A, GLU45A, GLY101B, GLY108B, GLY112B, GLY155B, GLY198A, GLY198B, GLY200A, GLY200B, GLY209A, GLY213A, GLY220A, GLY229A, GLY229B, GLY30A, GLY52A, HIS109B, HIS24A, HIS24A5, ILE106B, ILE168A, ILE208A, ILE212A, ILE214A, ILE221A, ILE228B, ILE40A, ILE64B, ILE67B, ILE68B, LEU102B, LEU105B, LEU110B, LEU153A, LEU159A, LEU159B, LEU162B, LEU187B, LEU218A, LEU224A, LEU224B, LEU226A, LEU227A, LEU227B, LEU26A, LEU29A, LEU36A, LEU37A, LEU50A, LEU60B, LEU63B, LEU65B, LYS147B, LYS210A, LYS237B, MET158B, MET217A, MET234B, MET48A, PHE137B, PHE150B, PHE154B, PHE166B, PHE184B, PHE235B, PRO204A, PRO207A, PRO25A, PRO99B, SER182B, SER222A, SER232B, SER32A, SER38A, SER51A, THR160A, THR193A, THR195A, THR195B, THR196A, THR196B, THR219A, THR225A, THR225B, THR230A, THR230B, THR47A, TRP188B, TRP189A, TRP189B, TRP70B, TYR151B, TYR163A, TYR169B, TYR199A, TYR199B, TYR33A, TYR59B, VAL157A, VAL157B, VAL161A, VAL161B, VAL183B, VAL191B, VAL192A, VAL192B, VAL197A, VAL197B, VAL202A, VAL202B, VAL203A, VAL211A, VAL216A, VAL231B, VAL27A, VAL31A, VAL39A, VAL41A, VAL42A, VAL44A, VAL61B, VAL66B
• A-C: ALA111A, ARG117A, ARG94C, GLY112A, GLY114A, HIS93C, LEU110A, LEU113A, LEU115A, LEU96C, PHE116A, PHE92C, SER32C, TYR33C, TYR50C
• A-D: ALA104A, ALA104D, ALA111A, ALA34D, ARG117A, ARG120A, ARG123A, ARG126A, ARG72D, ARG98D, ASN31D, ASN32D, ASN36D, ASN53D, ASP101D, GLU107A, GLY108A, GLY112A, GLY114A, GLY56D, GLY99D, ILE52D, LEU110A, LEU113A, LEU115A, LEU118A, LEU55A, MET105D, PHE103D, PHE116A, SER55D, SER59D, THR30D, THR57D, THR74D, TRP35D, TYR100D, TYR102D, TYR27D, TYR33D, TYR51D, TYR54A, TYR54D, VAL119A
• B-D: GLN16D, TYR86B
• B-E: ALA111B, ARG117B, ARG94E, GLY112B, GLY114B, HIS109B, HIS35E, HIS93E, LEU110B, LEU113B, LEU115B, LEU96E, PHE116B, PHE92E, SER30E, SER32E, TYR33E, TYR50E
• B-F: ALA104B, ALA104F, ALA111B, ALA34F, ARG117B, ARG120B, ARG123B, ARG126B, ARG72F, ARG98F, ASN31F, ASN32F, ASN36F, ASN53F, ASP101F, ASP106F, GLU107B, GLY108B, GLY112B, GLY114B, GLY99F, ILE52F, LEU110B, LEU113B, LEU115B, LEU118B, LEU121B, LEU122B, LEU55B, MET105F, PHE103F, PHE116B, SER55F, SER59F, THR30F, THR57F, THR74F, TRP35F, TYR100F, TYR102F, TYR27F, TYR33F, TYR51F, TYR54B, TYR54F, VAL119B
• C-D: ALA104D, ALA56C, ARG39D, ARG94C, ARG98D, ASN36D, ASN44D, ASN61D, ASP101D, ASP106D, CYS89C, CYS96D, GLN110D, GLN1C, GLN38C, GLN39C, GLN40D, GLN6C, GLN91C, GLU47D, GLU6D, GLY101C, GLY109D, GLY111D, GLY42C, GLY43D, GLY50D, GLY99C, GLY99D, HIS35C, HIS90C, HIS93C, ILE10C, ILE38D, ILE49C, LEU34C, LEU46D, LEU47C, LEU4C, LEU96C, LYS103C, LYS45D, LYS46C, LYS65D, MET105D, MET49D, PHE103D, PHE92C, PHE95D, PHE98C, PRO41C, PRO45C, PRO62D, SER100C, SER30C, SER31C, SER32C, SER43C, SER44C, SER51C, SER57C, SER59D, SER63D, SER95C, THR112D, THR86C, THR93D, THR97C, TRP108D, TRP36C, TRP48C, TRP48D, TYR100D, TYR102D, TYR107D, TYR33C, TYR37C, TYR50C, TYR51D, TYR60D, TYR88C, TYR94D, VAL3C, VAL97D
• E-F: ALA104F, ALA56E, ARG39F, ARG94E, ARG98F, ASN36F, ASN44F, ASN61F, ASP101F, ASP106F, CYS89E, CYS96F, GLN110F, GLN1E, GLN39E, GLN40F, GLN91E, GLU47F, GLU6F, GLY101E, GLY109F, GLY111F, GLY42E, GLY43F, GLY50F, GLY99E, GLY99F, HIS35E, HIS90E, HIS93E, ILE10E, ILE38F, ILE49E, LEU34E, LEU46F, LEU47E, LEU4E, LEU96E, LYS103E, LYS45F, LYS46E, LYS65F, MET105F, MET49F, PHE103F, PHE41F, PHE92E, PHE95F, PHE98E, PRO41E, PRO45E, PRO62F, SER100E, SER30E, SER31E, SER32E, SER43E, SER44E, SER51E, SER57E, SER59F, SER63F, SER95E, THR86E, THR93F, THR97E, TRP108F, TRP36E, TRP48E, TRP48F, TYR100F, TYR102F, TYR107F, TYR33E, TYR37E, TYR50E, TYR51F, TYR60F, TYR88E, TYR94F, VAL3E, VAL97F