3T4A

structure of a truncated form of staphylococcal complement inhibitor b bound to human c3c at 3.4 angstrom resolution

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 223
  • Norm. En. per Res.: -3.1772
• Hub Node: A(5)

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	-322.1389	-80.3274	-219.154	-621.6203	226	83	33	41364	9	69	55
A-C	0.0	-33.0236	-165.876	-198.8996	70	8	3	7194	2	17	16
A-D	0.0	0.0	-41.105	-41.105	39	2	1	2519	0	4	8
A-F	-2.1934	0.3711	-48.3441	-50.1664	39	16	0	2992	0	12	13
A-G	0.0	0.0	-53.4678	-53.4678	23	0	1	1872	0	3	3
B-C	-20.7788	-41.2994	450.863	388.7848	123	23	3	11175	2	41	25
B-G	-7.197	0.8983	-111.909	-118.2078	60	14	2	5094	0	22	16
C-F	0.0	9.0633	-13.5429	-4.4796	14	0	0	573	0	4	7
D-E	-309.7767	-82.3707	-316.364	-708.5114	223	75	34	40919	6	68	55
D-F	0.0	-32.2686	-159.815	-192.0836	73	5	3	6962	2	17	16
D-H	0.0	0.0	-48.5711	-48.5711	24	1	0	1817	0	3	4
E-F	-17.1997	-12.5945	467.011	437.2168	112	20	3	10194	3	38	24
E-H	-3.8589	1.7809	-100.487	-102.5651	62	19	2	5375	0	24	17

Interface residues

• A-B: ALA569A, ALA575A, ALA784B, ALA796B, ALA827B, ARG126A, ARG236A, ARG570A, ARG742B, ARG812B, ARG826B, ARG833B, ASN131A, ASN752B, ASN762B, ASN770B, ASN831B, ASP113A, ASP273A, ASP315A, ASP502A, ASP566A, ASP577A, ASP755B, ASP775B, ASP789B, ASP797B, ASP806B, ASP810B, ASP901B, CYS537A, CYS794B, GLN111A, GLN163A, GLN547A, GLN552A, GLN557A, GLN558A, GLN591A, GLN805B, GLN834B, GLU175A, GLU204A, GLU244A, GLU564A, GLU744B, GLU747B, GLU754B, GLU758B, GLU781B, GLU800B, GLU824B, GLY120A, GLY165A, GLY240A, GLY313A, GLY539A, GLY546A, GLY556A, GLY565A, GLY568A, GLY579A, GLY763B, GLY792B, HIS311A, HIS567A, ILE110A, ILE116A, ILE127A, ILE563A, ILE594A, ILE764B, ILE771B, ILE777B, ILE782B, ILE793B, ILE809B, ILE825B, LEU108A, LEU124A, LEU134A, LEU135A, LEU164A, LEU167A, LEU169A, LEU207A, LEU238A, LEU310A, LEU541A, LEU561A, LEU573A, LEU583A, LEU589A, LEU750B, LEU756B, LEU768B, LEU773B, LEU783B, LEU813B, LEU829B, LEU872B, LEU885B, LEU907B, LYS114A, LYS133A, LYS203A, LYS241A, LYS242A, LYS475A, LYS544A, LYS562A, LYS578A, LYS588A, LYS593A, LYS757B, LYS761B, LYS767B, LYS774B, LYS790B, LYS791B, LYS869B, LYS905B, LYS908B, MET179A, MET316A, MET559A, MET769B, MET787B, MET804B, PHE109A, PHE128A, PHE210A, PHE237A, PHE581A, PHE745B, PHE772B, PHE799B, PHE807B, PHE808B, PRO119A, PRO136A, PRO168A, PRO208A, PRO553A, PRO555A, PRO746B, PRO759B, PRO760B, PRO798B, PRO814B, PRO875B, SER121A, SER160A, SER170A, SER209A, SER312A, SER314A, SER536A, SER540A, SER545A, SER548A, SER592A, SER743B, SER748B, SER765B, SER776B, SER786B, SER788B, SER816B, SER870B, SER871B, SER873B, SER906B, THR112A, THR115A, THR118A, THR122A, THR129A, THR500A, THR501A, THR560A, THR590A, THR766B, THR778B, THR779B, THR802B, TRP595A, TRP749B, TRP751B, TRP780B, TYR107A, TYR117A, TYR125A, TYR188A, TYR205A, TYR239A, TYR815B, TYR830B, TYR832B, VAL123A, VAL130A, VAL137A, VAL166A, VAL177A, VAL202A, VAL206A, VAL243A, VAL317A, VAL538A, VAL542A, VAL543A, VAL554A, VAL571A, VAL572A, VAL574A, VAL576A, VAL580A, VAL598A, VAL753B, VAL785B, VAL795B, VAL801B, VAL803B, VAL828B, VAL874B, VAL910B
• A-C: ALA1459C, ALA247A, ALA306A, ARG1405C, ARG268A, ASN1420C, ASN1462C, ASP1382C, ASP1404C, ASP1427C, ASP273A, ASP315A, GLN318A, GLU1411C, GLU1464C, GLU244A, GLU272A, GLY1402C, GLY245A, GLY313A, HIS311A, ILE1380C, ILE1383C, ILE1407C, ILE1423C, ILE1424C, ILE250A, ILE269A, ILE271A, ILE309A, LEU1381C, LEU1422C, LEU1426C, LEU1463C, LEU266A, LEU310A, LYS1409C, LYS1414C, LYS1428C, LYS1456C, LYS203A, LYS267A, MET1378C, MET316A, PHE248A, PHE251A, PRO263A, PRO270A, SER1379C, SER1384C, SER1408C, SER1466C, SER261A, SER305A, SER312A, SER314A, THR1377C, THR1421C, THR246A, THR307A, TYR1406C, TYR1410C, TYR1425C, TYR1458C, TYR1460C, TYR1461C, VAL206A, VAL249A, VAL308A, VAL317A
• A-D: ARG185A, ASN144A, ASN144D, ASN147A, ASN147D, ASN178A, ASN178D, ASP156A, GLN155A, GLN155D, GLU146A, GLU146D, GLU149A, GLU149D, GLU175D, GLU189A, GLY150A, GLY150D, ILE145A, ILE151A, ILE151D, LEU176D, LYS154A, LYS154D, MET142A, MET179D, PRO148A, PRO148D, PRO152A, PRO152D, PRO174D, PRO192A, SER157A, TRP182D, TYR187A, VAL143A, VAL153A, VAL153D, VAL177D
• A-F: ARG1485F, ARG1560F, ARG259A, ARG293A, ASN1595F, ASN291A, ASP1552F, ASP255A, ASP287A, ASP296A, GLN1555F, GLN1558F, GLN1559F, GLN258A, GLN290A, GLU1553F, GLU1592F, GLY1557F, GLY1591F, GLY288A, ILE1540F, ILE1543F, ILE253A, ILE260A, LEU1596F, LEU262A, LEU286A, LEU297A, LYS1593F, LYS300A, PRO1594F, PRO263A, PRO292A, SER1551F, SER261A, THR1561F, TYR1598F, VAL1554F, VAL289A
• A-G: ARG44G, ARG85G, ASN39G, ASP550A, GLN557A, GLN558A, GLU78G, GLU81G, GLY556A, ILE75G, ILE82G, LEU38G, LYS74G, MET48G, MET559A, PRO40G, PRO553A, PRO555A, THR45G, THR560A, TYR41G, TYR42G, VAL554A
• B-C: ALA1454C, ALA1492C, ALA827B, ALA849B, ALA854B, ARG1419C, ARG1469C, ARG1485C, ARG1490C, ARG819B, ARG826B, ARG858B, ARG859B, ASN1420C, ASN1481C, ASN1495C, ASN820B, ASN847B, ASP1382C, ASP1418C, ASP1477C, ASP1486C, ASP1603C, CYS1484C, CYS1489C, CYS1491C, CYS1496C, CYS851B, GLN1451C, GLN1499C, GLN822B, GLN861B, GLN862B, GLU1411C, GLU1448C, GLU1476C, GLU1487C, GLU1493C, GLU1494C, GLU1516C, GLU821B, GLU824B, GLU912B, GLY1388C, GLY1453C, GLY1478C, GLY1601C, HIS1472C, HIS846B, HIS860B, ILE1383C, ILE1423C, ILE1450C, ILE1498C, ILE825B, ILE866B, ILE878B, LEU1381C, LEU1422C, LEU1449C, LEU1463C, LEU1480C, LEU1483C, LEU1488C, LEU1585C, LEU844B, LEU853B, LEU872B, LEU881B, LYS1414C, LYS1456C, LYS1475C, LYS1479C, LYS1482C, LYS1513C, LYS1567C, LYS1602C, LYS857B, LYS882B, MET1385C, MET1386C, PHE1445C, PHE1470C, PHE850B, PRO1452C, PRO814B, PRO848B, PRO867B, PRO875B, PRO880B, PRO911B, SER1384C, SER1417C, SER1587C, SER852B, SER870B, SER871B, SER873B, THR1335C, THR1387C, THR1421C, THR1468C, THR1604C, THR855B, THR856B, THR863B, THR865B, THR883B, TRP1590C, TYR1410C, TYR1458C, TYR1471C, TYR876B, VAL1447C, VAL1455C, VAL818B, VAL823B, VAL828B, VAL842B, VAL864B, VAL874B, VAL877B, VAL879B
• B-G: ALA53G, ALA55G, ALA56G, ALA68G, ALA735B, ALA893B, ARG44G, ARG52G, ARG742B, ARG833B, ARG85G, ARG904B, ASN39G, ASN49G, ASN738B, ASN770B, ASP732B, ASP775B, ASP901B, GLN805B, GLU50G, GLU736B, GLU737B, GLU744B, GLU78G, GLU81G, GLY902B, HIS896B, HIS897B, ILE733B, ILE734B, ILE739B, ILE771B, ILE79G, ILE82G, ILE83G, ILE899B, LEU38G, LEU773B, LYS43G, LYS54G, LYS59G, LYS774B, MET47G, MET48G, MET769B, PHE772B, PHE807B, PHE898B, PRO40G, SER64G, SER741B, SER743B, SER900B, TYR41G, TYR42G, TYR51G, VAL740B, VAL894B, VAL903B
• C-F: ASN1534F, ASP1373C, ASP1375C, ASP1535F, GLN1374C, GLN1531F, GLU1538F, GLY1372C, HIS1431C, LEU1532F, LYS1428C, LYS1529F, PHE1536F, SER1533F
• D-E: ALA569D, ALA575D, ALA784E, ALA796E, ALA827E, ARG126D, ARG570D, ARG742E, ARG812E, ARG826E, ARG833E, ASN131D, ASN752E, ASN762E, ASN770E, ASP113D, ASP273D, ASP315D, ASP502D, ASP566D, ASP577D, ASP755E, ASP775E, ASP789E, ASP797E, ASP806E, ASP810E, ASP901E, CYS537D, CYS794E, GLN111D, GLN163D, GLN547D, GLN552D, GLN557D, GLN558D, GLN591D, GLN805E, GLN834E, GLU175D, GLU204D, GLU244D, GLU564D, GLU744E, GLU747E, GLU754E, GLU758E, GLU781E, GLU800E, GLY120D, GLY165D, GLY240D, GLY313D, GLY539D, GLY546D, GLY556D, GLY565D, GLY568D, GLY579D, GLY763E, GLY792E, HIS311D, HIS567D, ILE110D, ILE116D, ILE127D, ILE173D, ILE563D, ILE594D, ILE764E, ILE771E, ILE777E, ILE782E, ILE793E, ILE825E, LEU108D, LEU124D, LEU134D, LEU135D, LEU164D, LEU167D, LEU169D, LEU176D, LEU207D, LEU238D, LEU310D, LEU541D, LEU561D, LEU573D, LEU583D, LEU589D, LEU750E, LEU756E, LEU768E, LEU773E, LEU783E, LEU813E, LEU829E, LEU872E, LEU885E, LEU907E, LYS114D, LYS133D, LYS203D, LYS241D, LYS242D, LYS475D, LYS544D, LYS562D, LYS578D, LYS588D, LYS593D, LYS757E, LYS761E, LYS767E, LYS774E, LYS790E, LYS791E, LYS869E, LYS905E, LYS908E, MET179D, MET316D, MET559D, MET769E, MET787E, MET804E, PHE109D, PHE128D, PHE210D, PHE237D, PHE581D, PHE745E, PHE772E, PHE799E, PHE807E, PHE808E, PRO119D, PRO136D, PRO168D, PRO174D, PRO208D, PRO553D, PRO555D, PRO746E, PRO759E, PRO760E, PRO798E, PRO814E, PRO875E, SER121D, SER160D, SER170D, SER209D, SER312D, SER314D, SER536D, SER540D, SER545D, SER548D, SER592D, SER743E, SER748E, SER765E, SER776E, SER786E, SER788E, SER816E, SER870E, SER871E, SER873E, SER906E, THR112D, THR115D, THR118D, THR122D, THR129D, THR501D, THR560D, THR590D, THR766E, THR778E, THR779E, THR802E, TRP595D, TRP749E, TRP751E, TRP780E, TYR107D, TYR117D, TYR125D, TYR205D, TYR239D, TYR815E, TYR830E, TYR832E, VAL123D, VAL130D, VAL137D, VAL166D, VAL177D, VAL202D, VAL206D, VAL243D, VAL317D, VAL538D, VAL542D, VAL543D, VAL554D, VAL571D, VAL572D, VAL574D, VAL576D, VAL580D, VAL598D, VAL753E, VAL785E, VAL795E, VAL801E, VAL803E, VAL828E, VAL874E, VAL910E
• D-F: ALA1400F, ALA1459F, ALA247D, ALA306D, ARG1405F, ARG1419F, ARG268D, ASN1462F, ASP1382F, ASP1404F, ASP1427F, ASP315D, GLN318D, GLU1411F, GLU1464F, GLU204D, GLU244D, GLU264D, GLU272D, GLY1402F, GLY245D, GLY313D, HIS311D, ILE1380F, ILE1383F, ILE1407F, ILE1423F, ILE1424F, ILE250D, ILE269D, ILE271D, ILE309D, LEU1381F, LEU1422F, LEU1426F, LEU1463F, LEU266D, LEU310D, LYS1409F, LYS1414F, LYS1428F, LYS1456F, LYS203D, LYS267D, MET1378F, MET316D, PHE248D, PHE251D, PRO263D, PRO270D, SER1379F, SER1384F, SER1408F, SER1466F, SER261D, SER305D, SER312D, SER314D, THR1377F, THR1421F, THR246D, THR307D, TYR1406F, TYR1410F, TYR1425F, TYR1458F, TYR1460F, TYR1461F, TYR205D, VAL206D, VAL249D, VAL308D, VAL317D
• D-H: ARG44H, ARG85H, ASN39H, ASP550D, GLN547D, GLN557D, GLN558D, GLU78H, GLU81H, GLY556D, ILE75H, ILE82H, LEU38H, LYS74H, MET48H, MET559D, PRO40H, PRO553D, PRO555D, THR45H, THR560D, TYR41H, TYR42H, VAL554D
• E-F: ALA1454F, ALA1492F, ALA827E, ALA854E, ARG1419F, ARG1469F, ARG1485F, ARG1490F, ARG819E, ARG826E, ARG858E, ARG859E, ASN1420F, ASN1481F, ASN1495F, ASN820E, ASN847E, ASP1382F, ASP1418F, ASP1477F, ASP1486F, ASP1603F, CYS1484F, CYS1489F, CYS1491F, CYS851E, GLN1451F, GLN822E, GLN861E, GLN862E, GLU1448F, GLU1476F, GLU1487F, GLU1493F, GLU1494F, GLU821E, GLU824E, GLU912E, GLY1388F, GLY1453F, GLY1478F, HIS1472F, HIS846E, HIS860E, ILE1383F, ILE1423F, ILE1450F, ILE825E, ILE866E, ILE878E, LEU1422F, LEU1449F, LEU1463F, LEU1480F, LEU1483F, LEU1488F, LEU844E, LEU853E, LEU872E, LEU881E, LYS1414F, LYS1456F, LYS1475F, LYS1479F, LYS1482F, LYS1602F, LYS857E, LYS869E, LYS882E, MET1385F, MET1386F, PHE1445F, PHE1470F, PHE850E, PRO1452F, PRO814E, PRO848E, PRO867E, PRO875E, PRO880E, PRO911E, SER1384F, SER1417F, SER852E, SER870E, SER871E, SER873E, THR1335F, THR1387F, THR1421F, THR1468F, THR855E, THR856E, THR863E, THR865E, THR883E, TRP1590F, TYR1410F, TYR1444F, TYR1458F, TYR1471F, TYR876E, VAL1447F, VAL1455F, VAL818E, VAL823E, VAL828E, VAL842E, VAL864E, VAL874E, VAL877E, VAL879E
• E-H: ALA53H, ALA55H, ALA56H, ALA68H, ALA735E, ALA893E, ARG44H, ARG52H, ARG742E, ARG833E, ARG85H, ARG904E, ASN39H, ASN49H, ASN738E, ASN770E, ASP67H, ASP732E, ASP775E, ASP901E, GLN805E, GLU50H, GLU736E, GLU737E, GLU744E, GLU78H, GLU81H, GLY902E, HIS896E, HIS897E, ILE733E, ILE734E, ILE739E, ILE771E, ILE79H, ILE82H, ILE83H, ILE899E, LEU38H, LEU57H, LEU773E, LYS43H, LYS54H, LYS59H, LYS774E, LYS891E, MET47H, MET48H, MET769E, PHE772E, PHE807E, PHE898E, PRO40H, SER64H, SER741E, SER743E, SER900E, TYR41H, TYR42H, TYR51H, VAL740E, VAL894E