Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MIRLLNLTLQRGPQR-LLEAAELTLHAGQKAGLIGANGAGKSSLFALL-------RGQLGQDAGDCLLPADWRIAHMRQEVDTLDRLAVDYVLDGDSRLREIQAALAVAEAAHDGSALARLHTELDNADGYTADARARKLLAGL-GFSSEQMERRVGDFSGGWRMRLNLAQALMCPSDLLLLDEPTNHLDLDAILWLEEWLKGYPG--TLVLISHDRDFLDAVVDHVVHLENRKLTLYRGGYSAFERTRAERLAQQQQAYEKQQAQRAHMESFIARFKAKATKARQAQSRIKALERLEELAPAHVDSPFNFSFRESDKISRPLLDLGEGRLG---YGDKAVLEKVKLQLVPGARIGLLGPNGAGKSTLIKTLAGDLPELGGRLLRGENLAIGYFAQHQLDSLDPQASPLLHLQRIAPGEREQTLKDFLGGFDFRGVRVDEPVLNFSGGEKARLALALIAWQKPNLLLLDEPTNHLDLEMRLALTMALQEFSGAVLVVSHDRHLLKSTTDEFLLVADGRVVPFDGDLDDYARWLVDYRARKAPQAETAPGAPTERTDKRAQRQAAAALRQQ-LAPHKREADKLERELGGLHEKLAAIEARLGDSALYDVSRKDELRELLSEQSSLKVREGELEERWLEALETLEALQKELEASE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
| 4F4C Chain:A ((4-1306)) | NGSLRQSLRTLDSFSLAPEDVLKTAIKTVEDYEGDNIDSNGEIKITRDEVVNKVSIPQLYRYTTTLEKLLLFIGTLVAVITGAGLPLMSILQGKVSQAFINEQIVINNNGSTFLPTGQNYTKTDFEHDVMNVVWSYAAMTVGMWAAGQITVTCYLYVAEQMNNRLRREFVKSILRQEISWFDTNHSGTLATKLFDNLERVKEGTGDKIGMAFQYLSQFITGFIVAFTHSWQLTLVMLAVTPIQALCGFAIAKSMSTFAIRETLRYAKAGKVVEETISSIRTVVSLNGLRYELERYSTAVEEAKKAGVLKGLFLGISFGAMQASNFISFALAFYIGVGWVHDGSLNFGDMLTTFSSVMMGSMALGLAGPQLAVLGTAQGAASGIYEVLDRKPVIDSSSKAGRKDMKIKGDITVENVHFTYPSRPDVPILRGMNLRVNAGQTVALVGSSGCGKSTIISLLLRYYDVLKGKITIDGVDV---RDINLEFLRKNVAVVSQEPALFNCT-------IEENISLGKEGITREEMVAACKM----------ANAEKFIKTLPNGYNTLVGDRGTQLSGGQKQRIAIARALVRNPKILLLDEATSALDAESEGIVQQALDKAAKGRTTIIIAHRLSTIRNA-DLIISCKN--------GQVVEVGDHRALMAQQGLYYDLVTAQ-----TFTDAVDSAAEGERIGKDALSRLKQELEENNAQKTNLFEILYHARPHALSLFIGMSTATIGGFIYPTYSVFFTSFMNVFAGNPADFLSQ-GHFWALMFLVLAAAQGICSFLMTFFMGIASESLTRDLRNKLFRNVL-----------------SQHIGFFD--------SPQNASGKISTRLATDVPNLRTA-----------IDFRFSTVITTLVSMVAGIGLAFFYGWQMALLIIAILPIVAFGQYLR----------------GRRFTGKNVKSASEFADSGKIAIEAIENVRTVQALAREDTFYENFCEKLDIPHKEAIKEAFIQGLSYGCASSVLYLLNTCAYRMGLALIITDPPTMQPMRVLRVMYAITISTSTLGFATSYFPEYAKATFAGGIIFGMLRKISKIDSLSLAGEKKKLYGKVIFKNVRFAYPERPEIEILKGLSFSVEPGQTLALVGPSGCGKSTVVALLERFYDTLGGEIFIDGSEIKTLNPEHTRSQIAIVSQEPTLFDCSIAENIIYGLDPSSVTMAQVEEAARLANIHNFIAELPEGFETRVGDRGTQLSGGQKQRIAIARALVRNPKILLLDEATSALDTESEKVVQEALDRAREGRTCIVIAHRLNTVMNADCIAVVSNGTIIEKGTHTQLMSEK |
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General information:
TITO was launched using:
| RESULT:
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Template: 4F4C.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -48271 for 3965 contacts (-12.2/contact) +
2D Compatibility (PS) -59818 + (NN) -31838 + (LL) 5096
1D Compatibility (HY) -21200 + (ID) 5100
Total energy: -161131.0 ( -40.64 by residue)
QMean score : 0.230
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