3NMS

staphylococcal complement inhibitor (scin) in complex with human complement c3c

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 222
  • Norm. En. per Res.: -5.7446
• Hub Node: A(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-C	-12.2862	-37.8287	-175.42	-225.5349	75	17	3	7358	3	18	18
A-M	-12.9104	0.0	-27.3255	-40.2359	22	2	0	1407	0	2	3
A-B	-277.0152	-70.5686	-927.719	-1275.3028	222	106	34	41698	6	67	54
C-B	-54.8743	-25.1209	605.24	525.2448	122	23	4	11049	2	40	24
M-B	-45.3334	-54.1971	-155.771	-255.3015	71	9	2	6166	4	31	19

Interface residues

• A-C: ALA1400C, ALA1459C, ALA247A, ALA306A, ARG1405C, ARG268A, ASN1420C, ASN1462C, ASP1382C, ASP1404C, ASP1427C, ASP273A, ASP315A, GLN318A, GLU1411C, GLU1464C, GLU204A, GLU244A, GLU264A, 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, SER261A, SER265A, SER305A, SER312A, SER314A, THR1377C, THR1421C, THR246A, THR307A, TYR1406C, TYR1410C, TYR1425C, TYR1458C, TYR1460C, TYR1461C, TYR205A, VAL1403C, VAL206A, VAL249A, VAL308A, VAL317A
• A-M: ALA80M, ARG42M, ARG551A, ASN37M, ASP550A, GLN557A, GLN558A, GLU76M, GLU79M, GLY556A, ILE46M, ILE77M, LEU36M, LEU81M, LYS72M, PRO555A, SER83M, THR38M, THR43M, TYR39M, TYR40M, VAL554A
• A-B: ALA569A, ALA575A, ALA784B, ALA796B, ALA827B, ARG126A, ARG551A, ARG570A, ARG742B, ARG812B, ARG826B, ARG833B, ASN131A, ASN752B, 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, GLU211A, 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, ILE504A, ILE563A, ILE594A, ILE764B, ILE771B, ILE777B, ILE782B, ILE793B, ILE825B, LEU108A, LEU124A, LEU134A, LEU135A, LEU164A, LEU167A, LEU169A, LEU207A, LEU238A, LEU310A, LEU541A, LEU561A, LEU573A, LEU583A, LEU589A, LEU750B, LEU756B, LEU768B, LEU773B, LEU783B, LEU811B, 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, MET316A, MET559A, MET769B, MET787B, MET804B, PHE109A, PHE128A, PHE210A, PHE237A, PHE581A, PHE745B, PHE772B, PHE799B, PHE807B, PHE808B, PRO119A, PRO136A, PRO168A, PRO208A, PRO445A, PRO553A, PRO555A, PRO746B, PRO759B, PRO760B, PRO798B, PRO814B, PRO875B, SER121A, SER160A, SER170A, SER209A, SER312A, SER314A, SER536A, SER540A, SER545A, 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, TYR205A, TYR239A, TYR815B, TYR830B, TYR832B, VAL123A, VAL130A, VAL137A, VAL166A, VAL206A, VAL243A, VAL538A, VAL542A, VAL543A, VAL554A, VAL571A, VAL572A, VAL574A, VAL576A, VAL580A, VAL598A, VAL753B, VAL785B, VAL795B, VAL801B, VAL803B, VAL828B, VAL874B, VAL910B
• C-B: ALA1415C, ALA1454C, ALA1492C, ALA827B, ALA849B, ALA854B, ARG1419C, ARG1469C, ARG1485C, ARG1490C, ARG819B, ARG826B, ARG858B, ARG859B, ASN1420C, ASN1481C, ASN1495C, ASN820B, ASN847B, ASP1382C, ASP1418C, ASP1477C, ASP1486C, ASP1603C, CYS1336C, CYS1484C, CYS1489C, CYS1491C, CYS851B, GLN1451C, GLN822B, GLN861B, GLN862B, GLU1411C, GLU1448C, GLU1464C, GLU1487C, GLU1493C, GLU1494C, GLU1516C, GLU821B, GLU824B, GLU837B, GLU912B, GLY1388C, GLY1453C, GLY1478C, HIS1472C, HIS846B, HIS860B, ILE1383C, ILE1423C, ILE1450C, ILE1498C, ILE825B, ILE866B, ILE878B, LEU1381C, LEU1422C, LEU1449C, LEU1463C, LEU1480C, LEU1483C, LEU1488C, LEU1585C, LEU829B, LEU844B, LEU853B, LEU872B, LEU881B, LYS1414C, LYS1456C, LYS1475C, LYS1479C, LYS1482C, LYS1513C, LYS1602C, LYS857B, LYS869B, LYS882B, MET1385C, MET1386C, PHE1445C, PHE1470C, PHE850B, PRO1452C, PRO814B, PRO848B, PRO867B, PRO868B, PRO875B, PRO880B, PRO911B, SER1384C, SER1417C, SER852B, SER870B, SER871B, SER873B, THR1387C, THR1421C, THR1468C, THR855B, THR856B, THR863B, THR865B, THR883B, TRP1590C, TYR1410C, TYR1444C, TYR1471C, TYR815B, TYR876B, VAL1447C, VAL1455C, VAL823B, VAL828B, VAL842B, VAL864B, VAL874B, VAL877B, VAL879B
• M-B: ALA51M, ALA54M, ALA66M, ALA735B, ALA80M, ALA893B, ARG42M, ARG742B, ARG833B, ARG841B, ARG904B, ASN37M, ASN738B, ASN770B, ASP730B, ASP732B, ASP775B, ASP901B, GLN49M, GLN69M, GLN805B, GLN836B, GLU30M, GLU65M, GLU731B, GLU736B, GLU737B, GLU744B, GLU76M, GLU79M, GLY48M, GLY902B, HIS896B, HIS897B, ILE44M, ILE46M, ILE733B, ILE734B, ILE739B, ILE771B, ILE899B, LEU26M, LEU36M, LEU729B, LEU773B, LYS41M, LYS45M, LYS50M, LYS56M, LYS61M, LYS62M, LYS774B, MET52M, PHE745B, PHE772B, PHE898B, SER47M, SER57M, SER741B, SER743B, SER776B, SER83M, SER900B, THR33M, THR38M, THR43M, TYR39M, TYR40M, TYR53M, VAL740B, VAL903B