1YNT

structure of the immunodominant epitope displayed by the surface antigen 1 (sag1) of toxoplasma gondii complexed to a monoclonal antibody

• Total interactions analyzed: 21
• Total true interactions: 10
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 65
  • Norm. En. per Res.: -3.0142
• 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	-31.6936	-48.443	-491.855	-571.9916	192	25	12	20143	3	16	13
A-C	-8.3322	15.4187	-7.6457	-0.5592	12	0	0	326	4	2	5
A-E	-33.0232	3.2797	-170.157	-199.9005	78	18	1	7652	3	21	25
A-F	0.0	-10.3827	-74.2329	-84.6156	45	6	1	2953	0	5	3
B-F	-12.7136	-4.7602	-178.447	-195.9208	65	16	0	6666	0	4	6
C-D	-31.4813	-48.8526	-487.838	-568.172	190	28	13	20139	3	16	13
C-E	-36.8239	-37.7806	-143.852	-218.4565	74	9	2	6516	1	27	25
C-G	0.0	-10.4672	-74.912	-85.3792	45	6	1	2980	0	5	3
D-G	-12.9782	-4.7379	-177.781	-195.4972	65	15	0	6646	0	4	6
F-G	0.0	0.0	-1.0568	-1.0568	5	0	0	79	0	2	2

Interface residues

• A-B: ALA130A, ALA597B, ALA630B, ALA673B, ARG211A, ARG53A, ARG598B, ARG718B, ASN137A, ASN138A, ASN161A, ASN210A, ASN212A, ASN31A, ASN34A, ASN561B, ASN92A, ASP165A, ASP167A, ASP170A, ASP1A, ASP1A5, ASP41A, ASP606B, ASP635B, CB9.73993-32.21341, CYS134A, CYS596B, CYS633B, CYS645B, CYS88A, GLN124A, GLN37A, GLN38A, GLN539B, GLN562B, GLN610B, GLN676B, GLN6A, GLN89A, GLN90A, GLU123A, GLU213A, GLU546B, GLU716B, GLY100A, GLY101A, GLY129A, GLY158A, GLY42A, GLY549B, GLY57A, GLY609B, GLY611B, GLY634B, GLY638B, GLY644B, GLY667B, GLY91A, GLY99A, HIS535B, HIS541B, HIS55A, HIS669B, ILE117A, ILE29A, ILE2A, ILE48A, ILE548B, ILE550B, ILE593B, ILE715B, LEU125A, LEU136A, LEU160A, LEU179A, LEU181A, LEU33A, LEU46A, LEU545B, LEU629B, LEU643B, LEU646B, LEU675B, LEU679B, LEU682B, LEU94A, LYS103A, LYS169A, LYS207A, LYS39A, LYS45A, LYS538B, LYS543B, LYS563B, LYS648B, LYS713B, LYS714B, MET175A, PHE118A, PHE135A, PHE139A, PHE209A, PHE564B, PHE605B, PHE671B, PHE87A, PHE98A, PRO119A, PRO120A, PRO628B, PRO631B, PRO672B, PRO95A, SER116A, SER121A, SER122A, SER127A, SER131A, SER162A, SER174A, SER176A, SER177A, SER208A, SER30A, SER544B, SER559B, SER56A, SER599B, SER625B, SER640B, SER665B, SER666B, SER677B, SER683B, SER684B, SER685B, THR114A, THR126A, THR164A, THR172A, THR178A, THR180A, THR43A, THR51A, THR601B, THR636B, THR642B, THR670B, THR681B, THR687B, THR85A, THR93A, THR97A, TRP163A, TRP35A, TRP536B, TRP547B, TRP602B, TRP608B, TRP659B, TRP693B, TYR173A, TYR186A, TYR32A, TYR36A, TYR49A, TYR50A, TYR560B, TYR595B, TYR603B, TYR604B, TYR607B, TYR627B, TYR680B, TYR86A, TYR96A, VAL115A, VAL132A, VAL133A, VAL159A, VAL44A, VAL502B, VAL537B, VAL626B, VAL632B, VAL641B, VAL647B, VAL668B, VAL674B, VAL686B, VAL711B
• A-C: ARG1024C, ARG24A, ASP1070C, ASP70A, GLY1066C, GLY1068C, GLY66A, GLY68A, SER1067C, SER67A, THR1069C, THR69A
• A-E: ALA13A, ALA837E, ALA846E, ALA848E, ALA850E, ARG108A, ARG18A, ARG24A, ARG852E, ASN145A, ASN826E, ASN861E, ASP110A, ASP143A, ASP17A, ASP70A, CYS23A, GLN6A, GLN835E, GLU105A, GLU838E, GLU844E, GLU845E, GLU849E, GLY16A, GLY66A, GLY841E, HIS874E, ILE106A, ILE144A, ILE21A, ILE823E, ILE834E, LEU104A, LEU11A, LEU15A, LEU73A, LEU78A, LEU827E, LEU856E, LEU857E, LYS103A, LYS107A, LYS142A, LYS199A, LYS824E, LYS833E, LYS840E, LYS859E, PHE829E, PHE839E, PRO141A, SER10A, SER12A, SER14A, SER22A, SER65A, SER67A, SER72A, SER9A, THR102A, THR20A, THR5A, THR74A, THR7A, THR822E, THR836E, THR842E, THR847E, THR8A, TYR140A, TYR173A, TYR71A, TYR851E, TYR853E, VAL19A, VAL825E, VAL860E
• A-F: ALA2038F, ALA2046F, ALA2086F, ARG2051F, ARG53A, ASN2050F, ASN31A, ASN92A, ASP1A, ASP2084F, ASP2117F, ASP2118F, ASP28A, GLN2052F, GLN2120F, GLN27A, GLN90A, GLY2116F, GLY91A, ILE2114F, ILE29A, ILE2A, LEU2039F, LEU2045F, LEU2088F, LEU94A, LYS2036F, LYS2115F, PRO2035F, PRO2042F, PRO2043F, PRO2049F, PRO95A, SER2085F, SER30A, THR2037F, THR2040F, THR2044F, THR2063F, THR93A, TYR2047F, TYR32A, TYR49A, TYR50A, TYR96A
• B-F: ALA2066F, ALA558B, ARG2051F, ARG598B, ASN2050F, ASN561B, ASP2117F, ASP2118F, ASP531B, ASP557B, CYS2054F, CYS2062F, GLN2052F, GLN562B, GLU2041F, GLY2116F, GLY533B, GLY556B, HIS535B, ILE2053F, ILE2114F, ILE550B, ILE551B, LEU2039F, LEU2045F, LYS2065F, LYS2115F, LYS565B, MET534B, MET570B, PHE529B, PHE605B, PRO2042F, PRO2043F, PRO2049F, PRO2055F, SER2048F, SER2060F, SER2061F, SER2064F, SER2071F, SER552B, SER555B, SER559B, SER599B, SER600B, THR2040F, THR2044F, THR2063F, THR2068F, THR528B, THR530B, THR553B, THR601B, TRP547B, TRP602B, TYR2047F, TYR527B, TYR532B, TYR554B, TYR560B, TYR603B, TYR604B, VAL2067F, VAL572B
• C-D: ALA1130C, ALA1597D, ALA1630D, ALA1673D, ARG1053C, ARG1211C, ARG1598D, ARG1718D, ASN1031C, ASN1034C, ASN1092C, ASN1137C, ASN1138C, ASN1161C, ASN1210C, ASN1212C, ASN1561D, ASP1001C, ASP1041C, ASP1165C, ASP1167C, ASP1170C, ASP1606D, ASP1635D, CYS1088C, CYS1134C, CYS1596D, CYS1633D, CYS1645D, GLN1006C, GLN1037C, GLN1038C, GLN1089C, GLN1090C, GLN1124C, GLN1539D, GLN1562D, GLN1610D, GLN1676D, GLU1123C, GLU1213C, GLU1546D, GLU1716D, GLY1042C, GLY1057C, GLY1091C, GLY1099C, GLY1100C, GLY1101C, GLY1129C, GLY1158C, GLY1549D, GLY1609D, GLY1611D, GLY1634D, GLY1638D, GLY1644D, GLY1667D, HIS1055C, HIS1535D, HIS1541D, HIS1669D, ILE1002C, ILE1029C, ILE1048C, ILE1117C, ILE1548D, ILE1550D, ILE1593D, ILE1715D, LEU1033C, LEU1046C, LEU1094C, LEU1125C, LEU1136C, LEU1160C, LEU1179C, LEU1181C, LEU1545D, LEU1629D, LEU1643D, LEU1646D, LEU1675D, LEU1679D, LEU1682D, LYS1039C, LYS1045C, LYS1103C, LYS1169C, LYS1207C, LYS1538D, LYS1543D, LYS1563D, LYS1648D, LYS1713D, LYS1714D, MET1175C, PHE1087C, PHE1098C, PHE1118C, PHE1135C, PHE1139C, PHE1209C, PHE1564D, PHE1605D, PHE1671D, PRO1095C, PRO1119C, PRO1120C, PRO1628D, PRO1631D, PRO1672D, SER1030C, SER1056C, SER1116C, SER1121C, SER1122C, SER1127C, SER1131C, SER1162C, SER1174C, SER1176C, SER1177C, SER1208C, SER1544D, SER1559D, SER1599D, SER1625D, SER1640D, SER1665D, SER1666D, SER1677D, SER1683D, SER1684D, SER1685D, THR1043C, THR1051C, THR1085C, THR1093C, THR1097C, THR1114C, THR1126C, THR1164C, THR1172C, THR1178C, THR1180C, THR1601D, THR1636D, THR1642D, THR1670D, THR1681D, THR1687D, TRP1035C, TRP1163C, TRP1536D, TRP1547D, TRP1602D, TRP1608D, TRP1659D, TRP1693D, TYR1032C, TYR1036C, TYR1049C, TYR1050C, TYR1086C, TYR1096C, TYR1173C, TYR1186C, TYR1560D, TYR1595D, TYR1603D, TYR1604D, TYR1607D, TYR1627D, TYR1680D, VAL1044C, VAL1115C, VAL1132C, VAL1133C, VAL1159C, VAL1502D, VAL1537D, VAL1626D, VAL1632D, VAL1641D, VAL1647D, VAL1668D, VAL1674D, VAL1686D, VAL1711D
• C-E: ALA1013C, ALA848E, ALA854E, ALA858E, ALA866E, ALA880E, ARG1018C, ARG1024C, ARG1108C, ARG852E, ASN876E, ASP1017C, ASP1070C, ASP1110C, ASP1143C, ASP855E, ASP867E, ASP870E, CYS1023C, GLN1006C, GLU1105C, GLU844E, GLU845E, GLU863E, GLU869E, GLY1016C, GLY1066C, GLY862E, GLY871E, GLY872E, HIS874E, ILE1021C, ILE1106C, ILE828E, ILE877E, LEU1011C, LEU1015C, LEU1078C, LEU1104C, LEU856E, LEU857E, LEU868E, LYS1103C, LYS1107C, LYS1142C, LYS1199C, LYS859E, LYS878E, MET875E, PHE843E, PHE879E, PRO1141C, SER1009C, SER1010C, SER1012C, SER1014C, SER1022C, SER1065C, SER1072C, THR1005C, THR1007C, THR1008C, THR1020C, THR1074C, THR1102C, THR842E, THR847E, THR865E, TYR1071C, TYR1140C, TYR851E, TYR864E, VAL1019C, VAL860E
• C-G: ALA3038G, ALA3046G, ALA3086G, ARG1053C, ARG3051G, ASN1031C, ASN1092C, ASN3050G, ASP1001C, ASP1028C, ASP3084G, ASP3117G, ASP3118G, GLN1027C, GLN1090C, GLN3052G, GLN3120G, GLY1091C, GLY3116G, ILE1002C, ILE1029C, ILE3114G, LEU1094C, LEU3039G, LEU3045G, LEU3088G, LYS3036G, LYS3115G, PRO1095C, PRO3035G, PRO3042G, PRO3043G, PRO3049G, SER1030C, SER3085G, THR1093C, THR3037G, THR3040G, THR3044G, THR3063G, TYR1032C, TYR1049C, TYR1050C, TYR1096C, TYR3047G
• D-G: ALA1558D, ALA3066G, ARG1598D, ARG3051G, ASN1561D, ASN3050G, ASP1531D, ASP1557D, ASP3117G, ASP3118G, CYS3054G, CYS3062G, GLN1562D, GLN3052G, GLU3041G, GLY1533D, GLY1556D, GLY3116G, HIS1535D, ILE1550D, ILE1551D, ILE3053G, ILE3114G, LEU3039G, LEU3045G, LYS1565D, LYS3065G, LYS3115G, MET1534D, MET1570D, PHE1529D, PHE1605D, PRO3042G, PRO3043G, PRO3049G, PRO3055G, SER1552D, SER1555D, SER1559D, SER1599D, SER1600D, SER3048G, SER3060G, SER3061G, SER3064G, SER3071G, THR1528D, THR1530D, THR1553D, THR1601D, THR3040G, THR3044G, THR3063G, THR3068G, TRP1547D, TRP1602D, TYR1527D, TYR1532D, TYR1554D, TYR1560D, TYR1603D, TYR1604D, TYR3047G, VAL1572D, VAL3067G
• F-G: ASP2089F, ASP3089G, LYS2036F, LYS3036G, THR3090G