2ICE

crig bound to c3c

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 225
  • Norm. En. per Res.: -4.0802
• 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-B	-357.1794	-88.8264	-472.047	-918.0527	225	65	32	40395	8	64	55
A-C	0.0	-18.9365	-145.894	-164.8305	66	8	2	6336	1	16	17
A-S	-20.8323	-101.0544	-158.8	-280.6866	135	5	1	8384	13	78	74
B-C	-44.3983	-60.1414	-226.459	-330.9987	119	17	6	11302	5	40	24
B-S	-20.6489	-5.7677	-58.5769	-84.9935	40	4	0	2381	0	11	4
B-D	0.0	0.0	-0.8069	-0.8069	11	0	0	145	0	2	1
S-F	0.0	0.0	-0.0101	-0.0101	2	0	0	2	0	0	0
D-E	-362.1579	-91.7485	-380.208	-834.1143	224	66	35	40631	7	64	53
D-F	0.0	-27.1389	-131.832	-158.9709	68	9	2	6172	2	16	16
D-T	-33.028	-99.9568	-176.913	-309.8978	144	9	1	9224	15	79	78
E-F	-16.8392	-43.4169	-219.378	-279.6341	124	11	5	10855	3	39	28
E-T	-20.6702	-6.5167	-65.3704	-92.5573	39	5	0	2506	0	12	5

Interface residues

• A-B: ALA569A, ALA575A, ALA784B, ALA796B, ALA827B, ARG126A, ARG236A, ARG551A, 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, GLU211A, GLU244A, GLU549A, GLU564A, GLU744B, GLU747B, GLU754B, GLU758B, GLU781B, GLU800B, GLY120A, GLY165A, GLY240A, GLY313A, GLY539A, GLY546A, GLY556A, GLY565A, GLY568A, GLY579A, GLY763B, GLY792B, HIS311A, HIS567A, ILE110A, ILE116A, ILE127A, ILE309A, 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, 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, SER121A, SER170A, SER209A, SER312A, SER314A, SER536A, SER540A, SER545A, 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, VAL177A, 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, ASN1462C, ASP1382C, ASP1404C, ASP1427C, ASP273A, ASP315A, GLN318A, GLU1411C, GLU1464C, GLU204A, GLU244A, GLU272A, GLY245A, GLY313A, HIS311A, ILE1380C, ILE1383C, ILE1407C, ILE1423C, ILE250A, ILE269A, ILE271A, ILE309A, LEU1381C, LEU1422C, LEU1426C, LEU1463C, LEU266A, LEU310A, LYS1409C, LYS1414C, LYS1456C, LYS203A, LYS267A, MET1378C, MET316A, PHE248A, PRO263A, PRO270A, SER1379C, SER1384C, SER1408C, SER261A, SER265A, SER305A, SER312A, SER314A, THR1377C, THR1421C, THR246A, THR307A, TYR1406C, TYR1410C, TYR1425C, TYR1458C, TYR1460C, TYR1461C, VAL206A, VAL249A, VAL308A, VAL317A
• A-S: ALA235A, ALA362A, ALA61S, ARG108S, ARG115S, ARG1S, ARG236A, ARG321A, ARG364A, ARG41S, ARG444A, ARG51S, ARG551A, ARG66S, ARG89S, ASN104S, ASN356A, ASP109S, ASP273A, ASP358A, ASP382A, ASP44S, ASP52S, ASP535A, ASP550A, ASP56S, ASP87S, ASP88S, CYS94S, GLN105S, GLN380A, GLN40S, GLN547A, GLN552A, GLN59S, GLN60S, GLN64S, GLU113S, GLU211A, GLU215A, GLU218A, GLU230A, GLU272A, GLU277A, GLU408A, GLU442A, GLU447A, GLU549A, GLU564A, GLU85S, GLU8S, GLU95S, GLY240A, GLY274A, GLY276A, GLY381A, GLY383A, GLY42S, GLY446A, GLY546A, GLY55S, GLY65S, HIS57S, HIS68S, HIS91S, ILE111S, ILE213A, ILE233A, ILE58S, LEU238A, LEU34S, LEU378A, LEU38S, LEU443A, LEU4S, LEU50S, LEU541A, LEU84S, LYS110S, LYS118S, LYS15S, LYS219A, LYS242A, LYS36S, LYS406A, LYS534A, LYS544A, LYS562A, LYS578A, LYS585A, LYS588A, LYS593A, LYS62S, MET86S, PHE49S, PHE581A, PRO216A, PRO361A, PRO445A, PRO45S, PRO553A, PRO7S, SER275A, SER360A, SER43S, SER536A, SER53S, SER540A, SER545A, SER548A, SER54S, SER592A, SER90S, SER9S, THR112S, THR217A, THR232A, THR234A, THR441A, THR448A, THR47S, THR590A, THR83S, THR93S, TRP14S, TYR239A, TYR363A, TYR63S, VAL106S, VAL107S, VAL365A, VAL542A, VAL543A, VAL6S, VAL96S
• B-C: ALA1415C, 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, CYS851B, GLN1451C, GLN822B, GLN861B, GLN862B, GLU1448C, GLU1487C, GLU1493C, GLU1494C, GLU1516C, GLU821B, GLU824B, GLU837B, GLU912B, GLY1388C, GLY1453C, GLY1478C, HIS1472C, HIS846B, HIS860B, ILE1383C, ILE1423C, ILE1450C, ILE1498C, ILE825B, ILE866B, ILE878B, LEU1422C, LEU1449C, LEU1463C, LEU1480C, LEU1483C, LEU1488C, LEU1585C, LEU844B, LEU853B, LEU872B, LEU881B, LYS1414C, LYS1456C, LYS1475C, LYS1479C, LYS1482C, LYS1513C, LYS1602C, LYS857B, LYS869B, LYS882B, MET1385C, MET1386C, PHE1445C, PHE1470C, PHE850B, PRO1452C, PRO1517C, PRO814B, PRO848B, PRO867B, PRO868B, PRO875B, PRO880B, PRO911B, SER1384C, SER1417C, SER852B, SER870B, SER871B, SER873B, THR1335C, THR1387C, THR1421C, THR1468C, THR855B, THR856B, THR863B, THR865B, TRP1590C, TYR1410C, TYR1444C, TYR1458C, TYR1471C, TYR876B, VAL1447C, VAL1455C, VAL818B, VAL823B, VAL828B, VAL842B, VAL864B, VAL874B, VAL877B, VAL879B
• B-S: ALA61S, ALA796B, ARG41S, ASN762B, ASP44S, ASP797B, GLN105S, GLN59S, GLN60S, GLN64S, GLN99S, GLU781B, GLU800B, GLY103S, HIS57S, ILE48S, ILE58S, ILE764B, ILE782B, LEU38S, LEU50S, LYS36S, LYS62S, PHE799B, PRO45S, PRO798B, SER53S, SER54S, THR47S, THR766B, THR778B, THR779B, THR802B, TRP780B, TYR63S, VAL33S, VAL39S, VAL46S, VAL801B, VAL803B
• B-D: ASN835B, GLN161D, GLN834B, GLU189D, HIS896B, LEU158D, LYS44D, PRO868B, SER157D, SER159D, THR140D
• S-F: GLN28S, GLU1592F
• D-E: ALA569D, ALA575D, ALA784E, ALA796E, ALA827E, ARG126D, ARG551D, ARG570D, ARG742E, ARG812E, ARG826E, ARG833E, ASN131D, ASN752E, ASN770E, ASN831E, ASP113D, ASP315D, ASP502D, ASP566D, ASP577D, ASP755E, ASP775E, ASP789E, ASP797E, ASP806E, ASP810E, ASP901E, CYS537D, CYS794E, GLN111D, GLN163D, GLN547D, GLN552D, GLN557D, GLN558D, GLN591D, GLN805E, GLN834E, GLU175D, GLU204D, GLU211D, GLU244D, GLU549D, GLU564D, GLU744E, GLU747E, GLU754E, GLU758E, GLU781E, GLU800E, GLY120D, GLY165D, GLY240D, GLY313D, GLY539D, GLY546D, GLY556D, GLY565D, GLY568D, GLY579D, GLY763E, GLY792E, GLY884E, HIS311D, HIS567D, ILE116D, ILE127D, ILE173D, ILE504D, 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, LEU811E, LEU813E, LEU829E, LEU872E, LEU885E, LEU907E, LYS114D, LYS133D, LYS203D, LYS241D, LYS242D, 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, SER121D, SER160D, SER170D, SER209D, SER312D, SER314D, SER536D, SER540D, SER545D, SER548D, SER592D, SER743E, SER748E, SER765E, SER776E, SER786E, SER788E, SER816E, SER870E, SER871E, SER873E, THR112D, THR115D, THR118D, THR122D, THR129D, THR500D, THR501D, THR560D, THR590D, THR766E, THR778E, THR779E, THR802E, TRP595D, TRP749E, TRP751E, TRP780E, TYR107D, TYR117D, TYR125D, TYR205D, TYR239D, TYR815E, TYR830E, TYR832E, VAL123D, VAL130D, VAL137D, VAL166D, VAL177D, 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, GLY245D, GLY313D, HIS311D, ILE1380F, ILE1383F, ILE1407F, ILE1423F, ILE1424F, ILE250D, ILE269D, ILE271D, ILE309D, LEU1422F, LEU1426F, LEU1463F, LEU266D, LEU310D, LYS1409F, LYS1414F, LYS1456F, LYS203D, LYS267D, MET1378F, MET316D, PHE248D, PHE251D, PRO263D, PRO270D, SER1379F, SER1384F, SER1408F, SER261D, SER265D, SER305D, SER312D, SER314D, THR1377F, THR1421F, THR246D, THR307D, TYR1406F, TYR1410F, TYR1425F, TYR1458F, TYR1460F, TYR1461F, TYR205D, VAL249D, VAL308D, VAL317D
• D-T: ALA235D, ALA362D, ALA61T, ARG108T, ARG115T, ARG1T, ARG236D, ARG321D, ARG364D, ARG41T, ARG444D, ARG51T, ARG551D, ARG66T, ARG89T, ASN104T, ASN356D, ASN450D, ASP109T, ASP273D, ASP358D, ASP382D, ASP44T, ASP52T, ASP535D, ASP550D, ASP56T, ASP87T, ASP88T, CYS537D, CYS94T, GLN105T, GLN380D, GLN40T, GLN547D, GLN552D, GLN591D, GLN59T, GLN60T, GLN64T, GLU113T, GLU211D, GLU215D, GLU218D, GLU230D, GLU272D, GLU277D, GLU408D, GLU442D, GLU447D, GLU549D, GLU564D, GLU85T, GLU8T, GLU95T, GLY240D, GLY274D, GLY276D, GLY381D, GLY383D, GLY42T, GLY446D, GLY546D, GLY55T, GLY65T, HIS57T, HIS68T, HIS91T, ILE111T, ILE213D, ILE233D, ILE58T, LEU238D, LEU34T, LEU378D, LEU38T, LEU443D, LEU4T, LEU50T, LEU541D, LEU84T, LYS110T, LYS118T, LYS15T, LYS219D, LYS242D, LYS36T, LYS406D, LYS534D, LYS544D, LYS562D, LYS578D, LYS585D, LYS588D, LYS593D, LYS62T, MET86T, PHE581D, PRO216D, PRO361D, PRO366D, PRO445D, PRO45T, PRO553D, PRO7T, SER275D, SER360D, SER43T, SER536D, SER53T, SER540D, SER545D, SER548D, SER54T, SER592D, SER90T, SER9T, THR100T, THR112T, THR217D, THR232D, THR234D, THR441D, THR448D, THR47T, THR590D, THR83T, THR93T, THR97T, TRP14T, TYR239D, TYR331D, TYR363D, TYR63T, VAL106T, VAL107T, VAL116T, VAL214D, VAL365D, VAL46T, VAL542D, VAL543D, VAL6T, VAL96T
• 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, CYS1336F, CYS1484F, CYS1489F, CYS1491F, CYS851E, GLN1451F, GLN1499F, GLN822E, GLN861E, GLN862E, GLU1448F, GLU1476F, GLU1487F, GLU1493F, GLU1494F, GLU1516F, GLU821E, GLU824E, GLU837E, GLU912E, GLY1388F, GLY1453F, GLY1478F, HIS1472F, HIS846E, HIS860E, ILE1383F, ILE1423F, ILE1450F, ILE1498F, ILE825E, ILE866E, ILE878E, LEU1422F, LEU1449F, LEU1463F, LEU1480F, LEU1483F, LEU1488F, LEU1585F, LEU829E, LEU844E, LEU853E, LEU872E, LEU881E, LYS1414F, LYS1456F, LYS1475F, LYS1479F, LYS1482F, LYS1513F, LYS1567F, LYS1602F, LYS839E, LYS857E, LYS869E, LYS882E, MET1385F, MET1386F, PHE1445F, PHE1470F, PHE850E, PRO1452F, PRO1517F, PRO814E, PRO848E, PRO867E, PRO875E, PRO880E, PRO911E, SER1384F, SER1417F, SER1587F, SER852E, SER870E, SER871E, SER873E, THR1335F, THR1387F, THR1421F, THR1468F, THR855E, THR856E, THR863E, THR865E, TRP1590F, TYR1410F, TYR1444F, TYR1458F, TYR1471F, TYR876E, VAL1447F, VAL1455F, VAL818E, VAL823E, VAL842E, VAL864E, VAL874E, VAL877E, VAL879E
• E-T: ALA61T, ALA796E, ARG41T, ASN104T, ASN762E, ASP102T, ASP797E, GLN105T, GLN59T, GLN60T, GLN64T, GLN99T, GLU781E, GLU800E, GLY103T, GLY763E, HIS57T, ILE48T, ILE58T, ILE764E, ILE782E, LEU38T, LEU50T, LYS36T, LYS62T, PHE799E, PRO45T, PRO798E, THR47T, THR778E, THR779E, THR802E, TRP780E, TYR63T, VAL33T, VAL39T, VAL46T, VAL801E, VAL803E