3SOT

crystal structure of a multidomain protein including duf1735 (bacova_03322) from bacteroides ovatus at 2.80 a resolution

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 86
  • Norm. En. per Res.: -2.9899
• 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	-24.2547	-36.7696	-196.103	-257.1273	86	16	2	7605	6	14	16
A-C	-29.062	-39.3619	-172.463	-240.887	86	7	2	6941	6	14	16
A-E	0.0	0.0	-2.6827	-2.6827	14	0	0	322	0	0	0
A-F	0.0	32.4704	-3.4717	28.9987	13	0	0	123	0	15	17
B-C	-29.7117	-3.8639	-166.809	-200.3847	86	9	2	6957	2	16	17
B-D	0.0	45.7236	-8.5536	37.17	28	0	0	712	0	28	32
C-D	0.0	0.0	-0.0451	-0.0451	2	0	0	16	0	0	0
C-E	0.0	31.3261	-10.8085	20.5176	22	0	0	405	0	22	34
D-E	-19.7205	-29.5451	-166.974	-216.2396	85	6	2	6829	4	15	15
D-F	-19.2088	-19.1092	-143.754	-182.072	82	7	2	6139	3	16	15
E-F	-14.9626	-12.938	-178.31	-206.2106	90	10	2	7097	4	16	18

Interface residues

• A-B: ALA186B, ALA203A, ALA203B, ALA317B, ARG100A, ARG100B, ARG204A, ARG204B, ARG209B, ARG281B, ARG286B, ARG287B, ARG324B, ARG95B, ASN196A, ASN202A, ASN202B, ASN325B, ASN92B, ASP200A, ASP207B, ASP278B, ASP299A, ASP44B, GLN290B, GLU102A, GLU308A, GLU338B, GLU94B, GLY182B, GLY197A, GLY303A, GLY304A, GLY306A, GLY318B, GLY42B, GLY45B, ILE195A, ILE310A, ILE312A, ILE337B, ILE39B, ILE93A, ILE93B, LEU284B, LEU322B, LEU323B, LEU91B, LEU98A, LYS190B, LYS208B, LYS313A, PHE96B, PRO101A, PRO311A, SER183B, SER187B, SER188B, SER305A, SER319B, SER43B, SER97A, THR185B, THR193A, THR201A, THR201B, THR205B, THR206B, THR301A, THR307A, THR321B, THR90B, TRP339B, TYR105B, TYR184B, TYR192B, TYR194A, TYR288B, TYR302A, TYR314A, TYR50B, TYR99A, VAL191B, VAL289B, VAL309A, VAL46B
• A-C: ALA186A, ALA203A, ALA203C, ALA317A, ARG100A, ARG100C, ARG204A, ARG204C, ARG209A, ARG281A, ARG286A, ARG287A, ARG324A, ARG95A, ASN196C, ASN202A, ASN202C, ASN325A, ASN92A, ASP200C, ASP207A, ASP231C, ASP278A, ASP299C, ASP44A, GLN290A, GLU102C, GLU308C, GLU338A, GLU94A, GLY197C, GLY303C, GLY304C, GLY306C, GLY318A, GLY42A, GLY45A, ILE195C, ILE310C, ILE312C, ILE39A, ILE93A, ILE93C, LEU284A, LEU322A, LEU323A, LEU91A, LEU98C, LYS190A, LYS208A, LYS313C, PHE96A, PHE96C, PRO101C, PRO311C, SER183A, SER187A, SER188A, SER305C, SER319A, SER43A, SER97A, SER97C, THR185A, THR193C, THR201A, THR201C, THR205A, THR206A, THR301C, THR307C, THR321A, THR90A, TRP339A, TYR184A, TYR192A, TYR194C, TYR288A, TYR302C, TYR314C, TYR50A, TYR99C, VAL191A, VAL289A, VAL309C, VAL46A
• A-E: CYS126A, GLN31E, GLY69A, GLY69E, ILE66A, ILE66E, LYS36A, SER68A, SER68E, SER70A, SER70E, TYR32A, VAL67A, VAL67E
• A-F: ASP84A, ASP86A, ASP86F, GLU110A, LYS85A, LYS85F, LYS89F, THR150A, THR87F, THR90F, VAL152A, VAL152F, VAL83A
• B-C: ALA186C, ALA203B, ALA203C, ALA317C, ARG100B, ARG100C, ARG204B, ARG204C, ARG209C, ARG286C, ARG287C, ARG324C, ARG95C, ASN196B, ASN202B, ASN202C, ASN325C, ASN92C, ASP200B, ASP200C, ASP207C, ASP231B, ASP299B, ASP44C, GLN290C, GLU102B, GLU308B, GLU338C, GLU94C, GLY197B, GLY303B, GLY304B, GLY306B, GLY318C, GLY42C, GLY45C, ILE195B, ILE226B, ILE310B, ILE312B, ILE39C, ILE93B, ILE93C, LEU171C, LEU284C, LEU322C, LEU323C, LEU91C, LEU98B, LYS190C, LYS208C, LYS313B, PHE96B, PHE96C, PRO101B, PRO311B, SER183C, SER187C, SER188C, SER305B, SER319C, SER43C, SER97B, THR185C, THR193B, THR201B, THR201C, THR205C, THR206C, THR301B, THR307B, THR321C, THR90C, TRP339C, TYR105C, TYR184C, TYR192C, TYR194B, TYR288C, TYR302B, TYR314B, TYR50C, TYR99B, VAL289C, VAL309B, VAL46C
• B-D: ALA82B, ALA82D, ASP153B, ASP153D, ASP84B, ASP84D, ASP86B, ASP86D, GLU107B, GLU110B, GLU110D, HIS80B, HIS80D, ILE151B, ILE151D, LYS169B, LYS169D, LYS85B, LYS85D, LYS89D, THR150B, THR150D, THR87B, THR87D, VAL152B, VAL152D, VAL83B, VAL83D
• C-D: SER68C, SER70D
• C-E: ALA82C, ALA82E, ASP84C, ASP84E, ASP86C, ASP86E, GLU107E, GLU110C, GLU110E, GLU117E, LYS169C, LYS169E, LYS85C, LYS85E, LYS89C, THR150E, THR87C, THR87E, THR90C, VAL152C, VAL152E, VAL83E
• D-E: ALA186D, ALA203D, ALA203E, ARG100D, ARG100E, ARG204D, ARG204E, ARG209D, ARG286D, ARG287D, ARG324D, ARG95D, ASN196E, ASN202D, ASN202E, ASN325D, ASN92D, ASP200E, ASP207D, ASP231E, ASP278D, ASP299E, ASP44D, GLN290D, GLU102E, GLU308E, GLU338D, GLU94D, GLY197E, GLY303E, GLY304E, GLY306E, GLY318D, GLY42D, GLY45D, ILE195E, ILE310E, ILE312E, ILE39D, ILE93D, ILE93E, LEU171D, LEU284D, LEU322D, LEU323D, LEU91D, LEU98E, LYS190D, LYS208D, LYS313E, PHE96D, PHE96E, PRO101E, PRO311E, SER183D, SER187D, SER188D, SER305E, SER319D, SER43D, SER97E, THR185D, THR193E, THR201D, THR201E, THR205D, THR206D, THR301E, THR307E, THR321D, THR90D, TRP339D, TYR105D, TYR184D, TYR192D, TYR194E, TYR288D, TYR302E, TYR314E, TYR50D, TYR99E, VAL191D, VAL289D, VAL309E, VAL46D
• D-F: ALA186F, ALA203F, ARG100D, ARG100F, ARG204D, ARG204F, ARG209F, ARG281F, ARG286F, ARG287F, ARG324F, ARG95F, ASN196D, ASN202D, ASN202F, ASN325F, ASN92F, ASP200D, ASP207F, ASP231D, ASP278F, ASP299D, ASP44F, GLN290F, GLU102D, GLU308D, GLU338F, GLU94F, GLY182F, GLY303D, GLY304D, GLY306D, GLY318F, GLY42F, GLY45F, ILE195D, ILE310D, ILE312D, ILE93D, ILE93F, LEU284F, LEU322F, LEU323F, LEU91F, LEU98D, LYS190F, LYS208F, LYS313D, PHE96F, PRO101D, PRO311D, SER183F, SER187F, SER188F, SER305D, SER319F, SER43F, SER97D, SER97F, THR185F, THR193D, THR201D, THR201F, THR205F, THR206F, THR280F, THR301D, THR307D, THR321F, THR90F, TRP339F, TYR184F, TYR192F, TYR194D, TYR288F, TYR302D, TYR314D, TYR50F, TYR99D, VAL289F, VAL309D, VAL46F
• E-F: ALA186E, ALA203E, ALA203F, ALA317E, ARG100E, ARG100F, ARG204E, ARG204F, ARG209E, ARG286E, ARG287E, ARG324E, ARG95E, ASN196F, ASN202E, ASN202F, ASN325E, ASN92E, ASP200F, ASP207E, ASP231F, ASP278E, ASP299F, ASP44E, GLN290E, GLU102F, GLU308F, GLU338E, GLU94E, GLY182E, GLY197F, GLY303F, GLY304F, GLY306F, GLY318E, GLY42E, GLY45E, ILE195F, ILE226F, ILE310F, ILE312F, ILE39E, ILE93E, ILE93F, LEU171E, LEU284E, LEU322E, LEU323E, LEU91E, LEU98F, LYS190E, LYS208E, LYS313F, PHE96E, PHE96F, PRO101F, PRO311F, SER183E, SER187E, SER188E, SER305F, SER319E, SER43E, SER97E, SER97F, THR185E, THR193F, THR201E, THR201F, THR205E, THR206E, THR301F, THR307F, THR321E, THR87E, THR90E, TRP339E, TYR105E, TYR184E, TYR192E, TYR194F, TYR288E, TYR302F, TYR314F, TYR50E, TYR99F, VAL191E, VAL289E, VAL309F, VAL46E