2QKI

human c3c in complex with the inhibitor compstatin

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: D-H
  • Int. Res.: 54
  • Norm. En. per Res.: -4.9977
• 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	-373.811	-105.7473	-374.306	-853.8643	225	61	32	40701	10	64	52
A-C	-3.4653	-32.5873	-154.848	-190.9006	66	2	3	6460	3	15	18
A-D	-2.4937	9.8223	-37.2526	-29.9239	57	5	0	1790	0	21	17
A-E	0.0	-5.7121	-10.6572	-16.3693	24	1	0	792	0	7	4
A-G	-32.3455	-22.6069	-178.939	-233.8914	52	4	1	6147	0	10	12
B-C	-62.124	-39.5197	342.413	240.7693	121	11	5	11202	3	36	25
B-D	-19.4399	-1.9618	-14.3902	-35.7919	17	1	0	648	0	8	2
B-F	0.0	0.0	-0.0254	-0.0254	3	0	0	20	0	1	1
C-E	0.0	0.0	-3.0379	-3.0379	11	0	0	253	0	3	3
C-F	0.0	4.1972	-0.009	4.1882	4	0	0	8	0	4	3
D-E	-385.6209	-88.5092	-461.369	-935.4991	220	62	34	41186	8	68	52
D-F	-8.9209	-39.1217	-158.235	-206.2776	70	3	2	6645	3	17	17
D-H	-65.7046	-28.0148	-176.154	-269.8733	54	10	1	6136	1	11	12
E-F	-45.002	-47.5504	276.078	183.5256	127	13	5	12107	3	39	30

Interface residues

• A-B: ALA569A, ALA575A, ALA784B, ALA796B, ALA827B, ARG126A, ARG236A, ARG570A, ARG742B, ARG812B, ARG826B, ARG833B, ASN131A, ASN752B, ASN762B, ASN770B, ASN831B, ASP113A, ASP315A, ASP502A, ASP566A, ASP577A, ASP755B, ASP775B, ASP789B, ASP797B, ASP806B, ASP810B, ASP901B, CYS537A, CYS794B, GLN111A, GLN163A, GLN547A, GLN552A, GLN557A, GLN558A, GLN591A, GLN805B, GLN834B, GLU175A, GLU204A, GLU211A, GLU244A, GLU564A, GLU744B, GLU747B, GLU754B, GLU758B, GLU781B, GLU800B, GLU824B, GLY120A, GLY165A, GLY240A, GLY313A, GLY539A, GLY546A, GLY556A, GLY565A, GLY568A, GLY579A, GLY763B, GLY792B, GLY884B, HIS311A, HIS567A, ILE116A, ILE127A, ILE173A, ILE563A, ILE594A, ILE764B, ILE771B, ILE777B, ILE782B, ILE793B, ILE825B, LEU108A, LEU124A, LEU134A, LEU135A, LEU164A, LEU167A, LEU169A, LEU176A, LEU207A, LEU238A, LEU310A, LEU541A, LEU561A, LEU573A, LEU583A, LEU589A, LEU750B, LEU756B, LEU768B, LEU773B, LEU783B, LEU811B, LEU813B, LEU829B, LEU872B, LEU885B, LEU907B, LYS114A, LYS133A, LYS203A, LYS241A, LYS242A, 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, PRO174A, PRO208A, PRO553A, PRO555A, PRO746B, PRO759B, PRO760B, PRO798B, PRO814B, PRO875B, PRO911B, SER121A, 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, THR501A, THR560A, THR590A, THR766B, THR778B, THR779B, THR802B, TRP595A, TRP749B, TRP751B, TRP780B, TYR107A, TYR117A, TYR125A, TYR205A, TYR239A, TYR815B, TYR830B, TYR832B, VAL123A, VAL130A, VAL137A, VAL166A, VAL206A, VAL243A, VAL317A, VAL538A, VAL542A, VAL543A, VAL554A, VAL571A, VAL572A, VAL574A, VAL576A, VAL580A, VAL582A, VAL598A, VAL753B, VAL785B, VAL795B, VAL801B, VAL803B, VAL828B, VAL874B, VAL910B
• A-C: ALA1459C, ALA247A, ALA306A, ARG1405C, ARG268A, ASN1462C, ASP1382C, ASP1404C, ASP1427C, ASP315A, GLN318A, GLU1411C, GLU1464C, GLU204A, GLU244A, GLU272A, 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, PRO263A, PRO270A, SER1379C, SER1408C, SER261A, SER305A, SER312A, SER314A, THR1377C, THR1421C, THR246A, THR307A, TYR1406C, TYR1410C, TYR1425C, TYR1458C, TYR1460C, TYR1461C, TYR205A, VAL206A, VAL249A, VAL308A, VAL317A
• A-D: ARG236D, ARG364A, ARG364D, ARG444D, ASN450A, ASN450D, ASP273A, ASP273D, GLN376D, GLN380A, GLN407A, GLN407D, GLN547A, GLN552A, GLU244A, GLU272A, GLU408A, GLU408D, GLU447A, GLU447D, GLU564A, GLU564D, GLY446D, GLY546A, GLY565D, LEU378A, LEU378D, LEU409A, LEU409D, LEU439A, LEU439D, LEU492D, LYS227A, LYS227D, LYS242D, LYS405D, LYS406D, LYS544A, LYS544D, LYS562A, LYS562D, PRO366D, PRO445D, PRO496D, SER410A, SER540D, SER545A, SER545D, SER548A, THR441A, THR448A, THR448D, THR560A, TYR363A, VAL494D, VAL542A, VAL542D
• A-E: ASN762E, ASN835E, GLN376A, GLN407A, GLN414A, GLN834E, GLU272A, GLU408A, GLU411A, GLY763E, ILE269A, ILE764E, LEU378A, LEU409A, LYS405A, LYS406A, LYS761E, LYS869E, PRO270A, PRO366A, SER410A, SER765E, THR374A, THR766E
• A-G: ALA460A, ALA463A, ALA9G, ARG11G, ARG456A, ARG459A, ARG486A, ASN390A, ASN431A, ASP349A, ASP458A, ASP491A, ASP6G, CYS12G, CYS2G, GLN490A, GLN5G, GLU462A, GLU487A, GLY345A, GLY489A, GLY8G, HIS10G, HIS392A, HIS435A, HIS461A, ILE1G, ILE389A, ILE465A, LEU454A, LEU455A, LEU492A, LYS343A, LYS386A, MET346A, MET457A, PHE348A, PRO344A, PRO347A, PRO393A, PRO488A, SER388A, SER394A, THR13G, THR391A, TRP4G, TRP7G, TYR433A, TYR468A, VAL3G, VAL493A, VAL494A
• B-C: ALA1415C, ALA1454C, ALA1492C, ALA827B, 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, GLN822B, GLN861B, GLN862B, GLU1448C, GLU1464C, GLU1476C, GLU1487C, GLU1493C, GLU1494C, GLU821B, GLU824B, GLU912B, GLY1388C, GLY1453C, GLY1478C, GLY913B, HIS1472C, HIS846B, HIS860B, ILE1383C, ILE1423C, ILE1450C, ILE1498C, ILE825B, ILE866B, ILE878B, LEU1381C, LEU1422C, LEU1449C, LEU1480C, LEU1483C, LEU1488C, LEU1585C, LEU829B, LEU844B, LEU853B, LEU872B, LEU881B, LYS1414C, LYS1456C, LYS1475C, LYS1479C, LYS1482C, LYS1567C, LYS1602C, LYS839B, LYS857B, LYS869B, LYS882B, MET1385C, MET1386C, PHE1445C, PHE1470C, PHE850B, PRO1452C, PRO814B, PRO848B, PRO867B, PRO875B, PRO880B, PRO911B, SER1384C, SER1417C, SER852B, SER870B, SER871B, SER873B, THR1335C, THR1387C, THR1421C, THR1468C, THR855B, THR856B, THR863B, THR865B, THR883B, TYR1410C, TYR1444C, TYR1458C, TYR1471C, TYR815B, TYR876B, VAL1447C, VAL1455C, VAL818B, VAL823B, VAL828B, VAL842B, VAL864B, VAL874B, VAL877B, VAL879B
• B-D: ASN762B, ASN835B, ASP373D, GLN376D, GLN407D, GLN834B, GLU277D, ILE269D, LEU768B, LYS405D, LYS761B, PRO270D, PRO760B, SER377D, THR374D, THR766B, VAL375D
• B-F: LYS1409F, PRO867B, PRO868B
• C-E: ASN1401C, ASN835E, GLN834E, GLN836E, GLU837E, LYS1409C, LYS869E, PRO867E, PRO868E, SER870E, TYR1406C
• C-F: ALA1415C, ASP1413C, ASP1413F, LYS1409F
• D-E: ALA569D, ALA575D, ALA784E, ALA796E, ALA827E, ARG126D, ARG570D, ARG742E, ARG812E, ARG826E, ARG833E, ASN131D, ASN162D, ASN752E, ASN762E, ASN770E, ASN831E, ASP113D, ASP315D, ASP502D, ASP566D, ASP577D, ASP755E, ASP775E, ASP789E, ASP797E, ASP806E, ASP810E, ASP901E, CYS537D, CYS794E, GLN111D, GLN163D, GLN552D, GLN557D, GLN558D, GLN591D, GLN805E, GLN834E, GLU175D, GLU204D, GLU211D, GLU244D, GLU564D, GLU744E, GLU747E, GLU754E, GLU758E, GLU781E, GLU800E, GLU824E, GLY120D, GLY138D, GLY165D, GLY240D, GLY313D, GLY539D, GLY546D, GLY556D, GLY565D, GLY568D, GLY579D, GLY763E, GLY792E, HIS311D, HIS567D, ILE110D, ILE116D, ILE127D, ILE563D, ILE594D, ILE764E, ILE771E, ILE777E, ILE782E, ILE793E, ILE825E, LEU124D, LEU134D, LEU135D, LEU164D, LEU167D, LEU169D, LEU207D, LEU238D, LEU310D, LEU541D, LEU561D, LEU573D, LEU583D, LEU589D, LEU750E, LEU756E, LEU768E, LEU773E, LEU783E, LEU811E, 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, SER170D, SER209D, SER312D, SER314D, SER536D, SER540D, SER545D, 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, VAL206D, VAL243D, VAL317D, VAL538D, VAL542D, VAL543D, VAL554D, VAL571D, VAL572D, VAL574D, VAL576D, VAL580D, VAL598D, VAL753E, VAL785E, VAL795E, VAL801E, VAL803E, VAL828E, VAL874E, VAL910E
• D-F: ALA1459F, ALA247D, ALA306D, ARG1405F, ARG268D, ASN1462F, ASP1382F, ASP1404F, ASP1427F, ASP273D, 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, PRO263D, PRO270D, SER1379F, SER1408F, SER1466F, SER261D, SER265D, SER305D, SER312D, SER314D, THR1377F, THR1421F, THR246D, THR307D, TYR1406F, TYR1410F, TYR1425F, TYR1458F, TYR1460F, TYR1461F, TYR205D, VAL1403F, VAL249D, VAL308D
• D-H: ALA460D, ALA463D, ALA9H, ARG11H, ARG456D, ARG459D, ARG486D, ASN390D, ASN431D, ASN432D, ASN452D, ASP349D, ASP458D, ASP491D, ASP6H, CYS12H, CYS2H, GLN490D, GLN5H, GLU462D, GLU487D, GLY345D, GLY489D, GLY8H, HIS10H, HIS392D, HIS435D, HIS461D, ILE1H, ILE389D, ILE465D, LEU454D, LEU455D, LEU492D, LYS343D, LYS386D, MET346D, MET457D, PHE348D, PRO344D, PRO347D, PRO393D, PRO488D, SER388D, SER394D, THR13H, THR391D, TRP4H, TRP7H, TYR433D, TYR468D, VAL3H, VAL493D, VAL494D
• E-F: ALA1415F, ALA1454F, ALA1492F, ALA827E, ALA849E, ALA854E, ARG1419F, ARG1469F, ARG1485F, ARG1490F, ARG819E, ARG826E, ARG858E, ARG859E, ASN1420F, ASN1481F, ASN1495F, ASN820E, ASN847E, ASP1382F, ASP1418F, ASP1477F, ASP1486F, ASP1603F, CYS1484F, CYS1489F, CYS1491F, CYS1496F, CYS851E, GLN1451F, GLN1499F, GLN822E, GLN861E, GLN862E, GLU1448F, GLU1476F, GLU1487F, GLU1493F, GLU1494F, GLU1516F, GLU821E, GLU824E, GLU837E, GLU912E, GLY1388F, GLY1453F, GLY1478F, GLY1601F, HIS1472F, HIS846E, HIS860E, ILE1383F, ILE1423F, ILE1450F, ILE1498F, ILE825E, ILE866E, ILE878E, LEU1422F, LEU1449F, LEU1463F, LEU1480F, LEU1483F, LEU1488F, LEU1585F, LEU729E, LEU829E, LEU844E, LEU853E, LEU872E, LEU881E, LYS1414F, LYS1456F, LYS1475F, LYS1479F, LYS1482F, LYS1513F, LYS1567F, LYS1602F, LYS857E, LYS869E, LYS882E, MET1385F, MET1386F, PHE1445F, PHE1470F, PHE1497F, PHE850E, PRO1452F, PRO814E, PRO848E, PRO867E, PRO868E, PRO875E, PRO880E, PRO911E, SER1384F, SER1417F, SER852E, SER870E, SER871E, SER873E, THR1335F, THR1387F, THR1421F, THR1468F, THR1604F, THR855E, THR856E, THR863E, THR865E, THR883E, TYR1410F, TYR1444F, TYR1458F, TYR1471F, TYR876E, VAL1447F, VAL1455F, VAL818E, VAL823E, VAL828E, VAL842E, VAL864E, VAL874E, VAL877E, VAL879E