1OFI

asymmetric complex between hslv and i-domain deleted hslu (h. influenzae)

• Total interactions analyzed: 36
• Total true interactions: 12
• Strongest Interaction:
  • Chains: B-I
  • Int. Res.: 31
  • Norm. En. per Res.: -4.4872
• Hub Node: B(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-G	-34.5215	-10.4838	-111.489	-156.4943	61	20	9	5521	0	27	20
B-C	-38.8786	-97.2603	-277.632	-413.7709	163	8	6	13950	14	89	75
B-H	-16.3527	-11.7826	-97.3506	-125.4859	63	13	7	5629	0	34	23
B-I	-33.1334	-33.6157	-72.3545	-139.1036	31	4	3	3240	2	8	8
C-H	0.0	-4.8572	-0.3863	-5.2435	17	0	0	121	0	12	15
C-I	-10.4016	-26.2643	-106.357	-143.0228	62	17	7	5702	2	28	21
G-L	-12.1881	0.0	-107.345	-119.5331	46	2	7	4177	0	2	2
H-I	-37.8679	-51.0965	-82.3308	-171.2952	72	17	1	4868	4	28	27
H-M	-21.4745	0.0	-99.5455	-121.02	41	6	7	4015	0	2	1
H-N	0.0	-21.6703	-143.27	-164.9403	62	14	11	7384	0	17	19
I-N	-22.5691	0.0	-98.2608	-120.8299	44	3	7	3894	0	2	1
M-N	-16.2679	-28.4182	-94.8669	-139.553	73	2	2	5623	2	24	22

Interface residues

• A-G: ALA310A, ALA314A, ALA75G, ALA79G, ARG275A, ARG383A, ARG395A, ARG441A, ARG62G, ARG83G, ASN385A, ASN390A, ASP111G, ASP438A, GLN114G, GLN312A, GLN68G, GLU386A, GLU389A, GLU437A, GLU58G, GLU61G, GLU65G, GLU77G, GLY110G, GLY392A, HIS67G, HIS70G, ILE105G, ILE106G, ILE391A, ILE443A, LEU104G, LEU439A, LEU444A, LEU64G, LEU71G, LEU72G, LYS101G, LYS261A, LYS264A, LYS387A, LYS63G, LYS73G, LYS80G, MET66G, PHE311A, PHE442A, PRO115G, PRO58A, SER103G, SER440A, SER74G, THR107G, THR388A, TYR38G, VAL112G, VAL113G, VAL313A, VAL384A, VAL76G
• B-C: ALA107B, ALA26C, ALA28C, ALA30C, ALA350B, ALA358B, ALA361B, ALA411B, ALA83B, ARG101B, ARG25C, ARG275B, ARG280C, ARG315C, ARG326C, ARG32C, ARG330C, ARG34C, ARG36C, ARG37C, ARG394B, ARG395B, ARG402B, ARG441B, ARG45C, ARG68B, ARG69B, ARG7C, ASN33C, ASN390B, ASN436B, ASN52C, ASP102B, ASP105B, ASP22C, ASP257B, ASP281C, ASP301C, ASP318C, ASP405B, ASP413B, ASP97C, GLN279C, GLN312B, GLN324C, GLN355B, GLN39C, GLN41C, GLU258B, GLU276C, GLU287C, GLU322C, GLU354B, GLU363B, GLU389B, GLU401B, GLU437B, GLU47C, GLU65B, GLU82B, GLU8C, GLU95C, GLY108B, GLY109B, GLY277C, GLY288C, GLY296C, GLY325C, GLY364B, GLY392B, GLY60B, HIS16B, HIS295B, HIS302C, HIS349B, HIS397B, HIS46C, ILE29C, ILE320C, ILE329C, ILE391B, ILE407B, ILE53C, ILE79B, ILE9C, LEU103B, LEU282C, LEU283C, LEU319C, LEU323C, LEU327C, LEU352B, LEU359B, LEU396B, LEU40C, LEU439B, LEU44C, LYS24C, LYS261B, LYS264C, LYS294B, LYS294C, LYS299C, LYS357B, LYS406B, LYS51C, LYS63B, LYS72B, LYS80B, LYS85B, MET297C, MET360B, MET38C, MET400B, MET404B, MET414B, MET4C, PHE255B, PHE409B, PHE442B, PHE78B, PHE86B, PRO284C, PRO316C, PRO321C, PRO328C, PRO43C, PRO50C, PRO6C, SER106B, SER11C, SER289C, SER292C, SER317C, SER351B, SER408B, SER410B, SER412B, THR104B, THR290C, THR293C, THR353B, THR362B, THR388B, THR398B, THR49C, THR59B, THR5C, THR64B, THR84B, THR87B, TRP35C, TYR356B, VAL10C, VAL273C, VAL286C, VAL291C, VAL331C, VAL365B, VAL399B, VAL48C, VAL81B, VAL96C
• B-H: ALA310B, ALA314B, ALA75H, ALA79H, ARG315B, ARG441B, ARG62H, ARG83H, ASN385B, ASN390B, ASN436B, ASP111H, ASP438B, GLN114H, GLN312B, GLN68H, GLU102H, GLU386B, GLU389B, GLU435B, GLU437B, GLU58H, GLU61H, GLU65H, GLU77H, GLY110H, GLY392B, HIS67H, HIS70H, ILE105H, ILE109H, ILE391B, ILE443B, LEU104H, LEU439B, LEU444B, LEU64H, LEU71H, LEU72H, LYS261B, LYS264B, LYS265B, LYS387B, LYS63H, LYS73H, LYS80H, MET66H, PHE311B, PHE382B, PHE442B, PRO115H, PRO58B, SER440B, SER74H, THR107H, THR388B, THR59B, TYR38H, VAL112H, VAL113H, VAL313B, VAL384B, VAL76H
• B-I: ALA31I, ALA51I, ALA53I, ARG32I, ARG35I, ARG36I, ARG441B, ASN30I, ASN39I, GLN19I, GLU58I, GLU61I, GLU65I, GLY18I, GLY49I, ILE443B, LEU37I, LEU439B, LEU444B, LEU64I, LYS28I, LYS33I, MET27I, PHE442B, PHE46I, PHE54I, PHE57I, SER440B, THR50I, TYR38I, VAL20I
• C-H: ALA271C, ARG275C, ARG315C, ARG86H, ASP272C, ASP318C, ASP85H, GLU77H, HIS67H, LYS264C, LYS73H, LYS80H, MET66H, PRO321C, SER317C, THR84H, VAL76H
• C-I: ALA310C, ALA314C, ALA75I, ALA79I, ARG275C, ARG315C, ARG383C, ARG395C, ARG441C, ARG62I, ARG83I, ASN385C, ASN390C, ASN436C, ASP111I, ASP438C, GLN114I, GLN312C, GLN68I, GLU102I, GLU386C, GLU389C, GLU437C, GLU61I, GLU65I, GLU77I, GLY110I, GLY392C, HIS67I, HIS70I, ILE105I, ILE391C, ILE443C, LEU104I, LEU439C, LEU444C, LEU64I, LEU71I, LEU72I, LYS101I, LYS261C, LYS387C, LYS63I, LYS73I, LYS80I, MET66I, PHE311C, PHE382C, PHE442C, PRO115I, PRO58C, SER103I, SER440C, SER74I, THR107I, THR388C, TYR38I, VAL112I, VAL113I, VAL313C, VAL384C, VAL76I
• G-L: ALA156G, ALA156L, ASN164G, ASN164L, ASN24G, ASN24L, ASP158G, ASP158L, CYS160G, CYS160L, GLN19G, GLN19L, GLY126G, GLY126L, GLY157G, GLY157L, GLY23G, GLY23L, GLY29G, GLY29L, ILE159G, ILE159L, LEU22G, LEU22L, LYS28G, LYS28L, MET27G, MET27L, PHE162G, PHE162L, SER125G, SER125L, SER21G, SER21L, THR163G, THR163L, THR25G, THR25L, TYR129G, TYR129L, VAL161G, VAL161L, VAL20G, VAL20L, VAL26G, VAL26L
• H-I: ALA122H, ALA31I, ALA51I, ALA53I, ALA79H, ALA87H, ALA87I, ARG135H, ARG32I, ARG35I, ARG62I, ARG83H, ARG86H, ARG89H, ARG89I, ASN128H, ASN166I, ASN24I, ASN30I, ASP111H, ASP52I, ASP81H, ASP81I, ASP85H, GLN114H, GLN19I, GLU116H, GLU117H, GLU58I, GLY110H, GLY124H, GLY127H, GLY18I, GLY29I, GLY49I, ILE105H, ILE109H, ILE120H, ILE123H, ILE96H, LEU104H, LEU121H, LEU131H, LEU22I, LEU56I, LEU59I, LEU88H, LEU88I, LEU91I, LYS28I, LYS63I, LYS80H, LYS90H, LYS90I, MET27I, MET94H, PHE46I, PHE54I, PHE57I, PRO115H, THR107H, THR25I, THR50I, THR55I, THR84H, TRP82H, TYR129H, VAL112H, VAL113H, VAL20I, VAL26I, VAL76H
• H-M: ALA156H, ASN164H, ASN24H, ASN24M, ASP158H, ASP158M, CYS160H, CYS160M, GLN19H, GLN19M, GLY126H, GLY126M, GLY157H, GLY157M, GLY23H, GLY23M, GLY29H, ILE159H, ILE159M, LEU22H, LEU22M, MET27H, MET27M, PHE162H, PHE162M, SER125H, SER125M, SER21H, SER21M, THR163H, THR163M, THR25H, THR25M, TYR129H, TYR129M, VAL161H, VAL161M, VAL20H, VAL20M, VAL26H, VAL26M
• H-N: ALA122H, ALA130H, ALA130N, ALA133H, ALA133N, ALA134H, ALA134N, ALA136H, ALA136N, ALA156H, ALA156N, ARG135H, ARG135N, ARG154H, ARG154N, ASN128H, ASN128N, ASN140H, ASN140N, ASP118N, ASP158H, ASP158N, CYS160H, CYS160N, GLU116H, GLU139H, GLU139N, GLU142H, GLU142N, GLU147H, GLU147N, GLY126H, GLY126N, GLY127H, GLY127N, GLY157H, ILE148H, ILE148N, ILE155H, ILE155N, ILE159H, ILE159N, LEU131H, LEU131N, LEU137H, LEU137N, LEU143H, LEU143N, LYS151H, LYS151N, SER125H, SER125N, SER132H, SER132N, SER152H, SER152N, THR141H, THR141N, TYR129H, TYR129N, VAL138H, VAL138N
• I-N: ALA156I, ALA156N, ASN164I, ASN164N, ASN24I, ASN24N, ASP158I, ASP158N, CYS160I, CYS160N, GLN19I, GLN19N, GLY126I, GLY157I, GLY157N, GLY23I, GLY23N, GLY29I, GLY29N, ILE155N, ILE159I, ILE159N, LEU22I, LEU22N, LYS28I, MET27I, MET27N, PHE162I, PHE162N, SER125I, SER125N, SER21I, SER21N, THR163I, THR163N, THR25I, THR25N, TYR129I, TYR129N, VAL161I, VAL161N, VAL20N, VAL26I, VAL26N
• M-N: ALA122N, ALA31M, ALA51M, ALA53M, ALA79N, ALA87M, ALA93M, ARG135N, ARG32M, ARG35M, ARG83N, ARG86M, ARG86N, ARG89M, ARG89N, ASN128N, ASN166M, ASN24M, ASN30M, ASP111N, ASP52M, ASP81N, ASP85N, GLN114N, GLU116N, GLU117N, GLU58M, GLU77N, GLU92M, GLY108N, GLY110N, GLY124N, GLY127N, GLY23M, GLY29M, GLY48M, GLY49M, ILE105N, ILE106N, ILE109N, ILE123N, ILE96N, LEU104N, LEU121N, LEU131N, LEU22M, LEU56M, LEU78N, LEU88M, LEU91M, LYS28M, LYS73N, LYS80N, LYS90M, LYS90N, MET27M, MET94N, PHE46M, PHE54M, PRO115N, SER125N, SER21M, THR107N, THR25M, THR50M, THR55M, THR84N, TRP82N, VAL112N, VAL113N, VAL20M, VAL26M, VAL76N