1YLO

crystal structure of protein of unknown function (possible aminopeptidase) s2589 from shigella flexneri 2a str. 2457t

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 181
  • Norm. En. per Res.: -4.2181
• Hub Node: A(4)

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	-39.2521	6.4802	-236.201	-268.973	118	14	4	10105	2	29	27
A-C	-33.1115	-0.8486	-234.568	-268.5281	120	20	4	10206	3	30	25
A-E	-72.6535	-167.9185	-522.905	-763.4771	181	26	14	20165	16	74	48
A-F	0.0	0.0	-0.0249	-0.0249	2	0	0	13	0	0	0
B-C	-46.5139	-0.497	-242.488	-289.4989	114	15	4	10287	2	30	25
B-E	0.0	0.0	-0.0093	-0.0093	2	0	0	8	0	0	0
D-E	-44.1993	0.1971	-232.121	-276.1232	119	16	4	10264	3	30	25
D-F	-23.9684	-1.3594	-244.31	-269.6378	116	11	4	10360	3	30	25
E-F	-37.3034	0.118	-228.985	-266.1704	121	11	4	10432	3	29	25

Interface residues

• A-B: ALA122B, ALA16B, ALA208B, ALA211B, ALA226A, ALA233A, ALA234A, ALA254A, ALA260A, ALA275A, ALA287A, ALA287B, ALA78B, ARG102B, ARG124B, ARG141B, ARG145B, ARG203B, ARG210A, ARG210B, ARG237A, ARG23B, ARG345A, ARG38B, ARG71B, ARG75B, ARG92B, ASN235A, ASN280A, ASN86B, ASP144B, ASP249A, ASP276A, ASP343A, ASP40B, ASP64B, ASP80B, GLN206A, GLN206B, GLN20B, GLN24B, GLN274A, GLU199B, GLU19B, GLU263A, GLU76B, GLY143B, GLY201B, GLY204B, GLY205B, GLY232A, GLY281A, GLY285A, GLY286A, GLY292A, GLY294A, GLY41B, GLY43B, GLY77B, GLY85B, HIS236A, HIS289A, ILE15B, ILE253A, ILE73B, LEU202A, LEU202B, LEU245A, LEU247A, LEU252A, LEU27B, LEU290A, LEU341A, LEU42B, LEU46B, LEU82B, LYS250A, LYS257A, PHE278A, PHE344A, PHE39B, PRO142B, PRO255A, PRO256A, PRO296A, PRO83B, SER121B, SER17B, SER18B, SER196B, SER197B, SER213B, SER248A, SER251A, SER279A, SER44B, SER72B, SER74B, THR207B, THR209B, THR259A, THR264A, THR291A, THR291B, THR293A, THR297A, THR342A, TRP225A, TYR132B, VAL200B, VAL212B, VAL288A, VAL295A, VAL37B, VAL45B, VAL70B, VAL81B, VAL84B
• A-C: ALA16A, ALA208A, ALA211A, ALA226C, ALA233C, ALA234C, ALA254C, ALA260C, ALA275C, ALA287A, ALA287C, ALA78A, ARG102A, ARG124A, ARG141A, ARG145A, ARG203A, ARG210A, ARG210C, ARG237C, ARG23A, ARG345C, ARG38A, ARG71A, ARG75A, ARG92A, ASN235C, ASN280C, ASN86A, ASP144A, ASP249C, ASP276C, ASP343C, ASP40A, ASP64A, ASP80A, CYS224C, GLN206A, GLN206C, GLN20A, GLN24A, GLN274C, GLU198A, GLU19A, GLU263C, GLU76A, GLY143A, GLY201A, GLY204A, GLY205A, GLY232C, GLY281C, GLY282C, GLY285C, GLY286C, GLY292C, GLY294C, GLY41A, GLY43A, GLY77A, GLY85A, HIS236C, HIS289C, ILE15A, ILE253C, ILE73A, LEU202A, LEU202C, LEU245C, LEU247C, LEU252C, LEU27A, LEU290C, LEU341C, LEU42A, LEU46A, LEU82A, LYS250C, LYS257C, PHE278C, PHE344C, PHE39A, PRO142A, PRO255C, PRO256C, PRO296C, PRO83A, SER121A, SER17A, SER18A, SER196A, SER197A, SER213A, SER248C, SER251C, SER279C, SER44A, SER72A, SER74A, THR207A, THR209A, THR259C, THR264C, THR283C, THR291A, THR291C, THR293C, THR297C, THR342C, TRP225C, TYR132A, VAL200A, VAL212A, VAL288C, VAL295C, VAL37A, VAL45A, VAL70A, VAL81A, VAL84A
• A-E: ALA129A, ALA129E, ALA138A, ALA138E, ALA226A, ALA226E, ALA310A, ALA310E, ALA311A, ALA311E, ALA314A, ALA314E, ALA78A, ALA78E, ALA90A, ALA90E, ALA91A, ALA91E, ARG115A, ARG115E, ARG124A, ARG124E, ARG130A, ARG130E, ARG159A, ARG159E, ARG305A, ARG305E, ARG317A, ARG317E, ARG75A, ARG75E, ARG88A, ARG88E, ARG92A, ARG92E, ARG98A, ARG98E, ASN118A, ASN118E, ASN228A, ASN228E, ASN241A, ASN241E, ASP112A, ASP112E, ASP114A, ASP114E, ASP119A, ASP119E, ASP126A, ASP126E, ASP133A, ASP133E, ASP149A, ASP149E, ASP230A, ASP230E, ASP315A, ASP315E, ASP318A, ASP318E, ASP80A, ASP80E, CYS105E, CYS309A, CYS309E, GLN116A, GLN116E, GLN137A, GLN137E, GLN153A, GLN153E, GLN238A, GLN238E, GLN274A, GLN274E, GLN93A, GLN93E, GLN95A, GLN95E, GLU134A, GLU134E, GLU76A, GLU76E, GLY109A, GLY109E, GLY113A, GLY113E, GLY117A, GLY117E, GLY128A, GLY128E, GLY139A, GLY139E, GLY162A, GLY162E, GLY232A, GLY232E, GLY240A, GLY240E, GLY242A, GLY242E, GLY307A, GLY307E, GLY77A, GLY77E, HIS157A, HIS157E, HIS306A, HIS306E, HIS308A, HIS308E, ILE107A, ILE107E, ILE127A, ILE127E, ILE140A, ILE140E, ILE239A, ILE239E, ILE313A, ILE313E, ILE79A, ILE79E, ILE99A, ILE99E, LEU110A, LEU110E, LEU111A, LEU111E, LEU155A, LEU155E, LEU94A, LEU94E, LYS106A, LYS106E, LYS163A, LYS163E, LYS227A, LYS227E, PHE148A, PHE148E, PHE152A, PHE152E, PHE229A, PHE229E, PRO108A, PRO108E, PRO156A, PRO156E, PRO96A, PRO96E, SER312A, SER312E, SER74A, SER74E, THR131A, THR131E, THR150A, THR150E, THR151A, THR151E, TYR132A, TYR132E, TYR231A, TYR231E, VAL120A, VAL120E, VAL125A, VAL125E, VAL135A, VAL135E, VAL154A, VAL154E, VAL160A, VAL160E, VAL87A, VAL87E, VAL97A, VAL97E
• A-F: ARG75A, ARG75F
• B-C: ALA16C, ALA208C, ALA211C, ALA226B, ALA233B, ALA234B, ALA254B, ALA260B, ALA275B, ALA287B, ALA287C, ALA78C, ARG102C, ARG124C, ARG141C, ARG145C, ARG203C, ARG210B, ARG210C, ARG237B, ARG23C, ARG345B, ARG38C, ARG71C, ARG75C, ASN235B, ASN280B, ASN86C, ASP144C, ASP230B, ASP249B, ASP276B, ASP343B, ASP40C, ASP64C, ASP80C, GLN206B, GLN206C, GLN20C, GLN24C, GLN274B, GLU19C, GLU263B, GLU76C, GLY143C, GLY201C, GLY204C, GLY205C, GLY232B, GLY281B, GLY286B, GLY292B, GLY294B, GLY41C, GLY43C, GLY77C, GLY85C, HIS236B, HIS289B, ILE15C, ILE253B, ILE73C, LEU202B, LEU202C, LEU245B, LEU247B, LEU252B, LEU27C, LEU290B, LEU341B, LEU42C, LEU46C, LEU82C, LYS250B, LYS257B, PHE278B, PHE344B, PHE39C, PRO142C, PRO255B, PRO256B, PRO296B, PRO83C, SER121C, SER17C, SER18C, SER196C, SER197C, SER213C, SER248B, SER251B, SER279B, SER44C, SER72C, SER74C, THR207C, THR209C, THR259B, THR291B, THR291C, THR293B, THR297B, THR342B, TRP225B, TRP261B, TYR132C, VAL200C, VAL212C, VAL288B, VAL295B, VAL37C, VAL45C, VAL70C, VAL84C
• B-E: ARG75B, ARG75E
• D-E: ALA16E, ALA208E, ALA211E, ALA226D, ALA233D, ALA234D, ALA254D, ALA260D, ALA275D, ALA287D, ALA287E, ARG102E, ARG124E, ARG141E, ARG145E, ARG203E, ARG210D, ARG210E, ARG237D, ARG23E, ARG345D, ARG38E, ARG71E, ARG75E, ARG92E, ASN235D, ASN280D, ASN86E, ASP144E, ASP230D, ASP249D, ASP276D, ASP343D, ASP40E, ASP64E, ASP80E, GLN206D, GLN206E, GLN20E, GLN24E, GLN274D, GLU19E, GLU263D, GLU76E, GLY143E, GLY201E, GLY204E, GLY205E, GLY232D, GLY281D, GLY282D, GLY285D, GLY286D, GLY292D, GLY294D, GLY41E, GLY43E, GLY77E, GLY85E, HIS236D, HIS289D, ILE15E, ILE253D, ILE73E, LEU202D, LEU202E, LEU245D, LEU247D, LEU252D, LEU27E, LEU290D, LEU42E, LEU46E, LEU82E, LYS250D, LYS257D, PHE278D, PHE344D, PHE39E, PRO142E, PRO255D, PRO256D, PRO296D, PRO83E, SER121E, SER17E, SER18E, SER196E, SER197E, SER213E, SER248D, SER251D, SER279D, SER44E, SER72E, SER74E, THR207E, THR209E, THR259D, THR264D, THR283D, THR291D, THR291E, THR293D, THR297D, THR342D, TRP225D, TRP261D, TYR132E, TYR231D, VAL200E, VAL212E, VAL288D, VAL295D, VAL37E, VAL45E, VAL70E, VAL81E, VAL84E
• D-F: ALA122D, ALA16D, ALA208D, ALA211D, ALA226F, ALA233F, ALA234F, ALA254F, ALA260F, ALA275F, ALA287D, ALA287F, ALA78D, ARG102D, ARG124D, ARG141D, ARG145D, ARG203D, ARG210D, ARG210F, ARG237F, ARG23D, ARG345F, ARG38D, ARG71D, ARG75D, ASN235F, ASN280F, ASN86D, ASP144D, ASP230F, ASP249F, ASP276F, ASP343F, ASP40D, ASP64D, ASP80D, CYS224F, GLN206D, GLN206F, GLN20D, GLN24D, GLN274F, GLU19D, GLU263F, GLU76D, GLY143D, GLY201D, GLY204D, GLY205D, GLY232F, GLY281F, GLY285F, GLY286F, GLY292F, GLY294F, GLY41D, GLY43D, GLY77D, GLY85D, HIS236F, HIS289F, ILE15D, ILE253F, ILE73D, LEU202D, LEU202F, LEU245F, LEU247F, LEU252F, LEU27D, LEU290F, LEU42D, LEU46D, LEU82D, LYS250F, LYS257F, PHE278F, PHE344F, PHE39D, PRO142D, PRO255F, PRO256F, PRO296F, PRO83D, SER121D, SER17D, SER18D, SER196D, SER197D, SER213D, SER248F, SER251F, SER279F, SER44D, SER72D, SER74D, THR207D, THR209D, THR259F, THR264F, THR291D, THR291F, THR293F, THR297F, THR342F, TRP225F, TYR132D, VAL200D, VAL212D, VAL288F, VAL295F, VAL37D, VAL45D, VAL70D, VAL84D
• E-F: ALA16F, ALA208F, ALA211F, ALA226E, ALA233E, ALA234E, ALA254E, ALA260E, ALA275E, ALA287E, ALA287F, ALA78F, ARG102F, ARG124F, ARG141F, ARG145F, ARG203F, ARG210E, ARG210F, ARG237E, ARG23F, ARG345E, ARG38F, ARG71F, ARG75F, ASN235E, ASN280E, ASN86F, ASP144F, ASP230E, ASP249E, ASP276E, ASP343E, ASP40F, ASP64F, ASP80F, CYS224E, GLN206E, GLN206F, GLN20F, GLN24F, GLN274E, GLU199F, GLU19F, GLU263E, GLU76F, GLY143F, GLY201F, GLY204F, GLY205F, GLY232E, GLY281E, GLY282E, GLY285E, GLY286E, GLY292E, GLY294E, GLY41F, GLY43F, GLY77F, GLY85F, HIS236E, HIS289E, ILE15F, ILE253E, ILE73F, LEU202E, LEU202F, LEU245E, LEU247E, LEU252E, LEU27F, LEU290E, LEU341E, LEU42F, LEU46F, LEU82F, LYS250E, LYS257E, PHE278E, PHE344E, PHE39F, PRO142F, PRO255E, PRO256E, PRO296E, PRO83F, SER121F, SER17F, SER18F, SER196F, SER197F, SER213F, SER248E, SER251E, SER279E, SER44F, SER72F, SER74F, THR207F, THR209F, THR259E, THR264E, THR283E, THR291E, THR291F, THR293E, THR297E, THR342E, TRP225E, TYR132F, TYR231E, VAL200F, VAL212F, VAL288E, VAL295E, VAL37F, VAL45F, VAL70F, VAL81F, VAL84F