Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MITVVKRNGRIEPLDITKIQKYTKDATDNLEGVSQSELEVDARLQFRDKITTEEIQQTLIKTAVDKIDIDTPNWSFVASRL---------------FLYDLYHKVSGFTGYRHLKEYFENAEEKGRILKGFKEKFDLEFLNSQIKPERDFQFNYLGIKTLYDRYLLKDANNHPIELPQHMFMSIAMFLAQNEQELNKIALEFYEVLSKFEAMCATPTLANARTTKHQLSSCY-IGSTPDNIEGIFDSYKEMALLSKYGGGIGWDFSLVRSIGSYIDGHKNASAGTIPFLKIANDVAIAVDQLGT-RKGAIAVYLEIWHIDVMEFIDLRKNSGDERRRAHDLFPALWVCDLFMKRVLEDAMWTLFDPYECKDLTELYGQDFEKRYLEYEKDPKIIKEYINAKDLWKKILMNYFEAGLPFLAFKDNANRCNPNAHAGIIRSSNLCTEIFQNTAPNHYYMQIEYTDGAIEFFEEKELVTTDSNITKCANKLTSTDILKGKKIYIATKVAKDGQTAVCNLASINLSKINTEEDIKRVVPIMVRLLDNVIDLNFYPNRKVKATNLQNRAIGLGVMGEAQMLAEHQIAWGSKEHLEKIDALMEQISYHAIDTSANLAKEKGVYKDFENSEWSKGIFPIDKANNEALKLTEKGLFNHACDWQGLREKVKANGMRNGYLMAIAPTSSISILVGTTQTIEPIYKKKWFEENLSGLIPVV-------------------------------VPNLNVETWNFYTSAYDIDAKDLIKAAAVRQKWIDQGQSINVFLRIENASGKTLHEIYTLAWKLGLKS-TYYLRSESPSIDEKSVLDRSVECFNCQ |
3S87 Chain:A ((76-746)) | ---------------------------------------------------------------------------TLAARIAISNLHKQTTKQFSKVVEDLYRYVNAATG----KPAPMISDDVYNIVMENKDK-----LNSAIVYDRDFQYSYFGFKTLERSYLLR-INGQVAERPQHLIMRVALGIHGRDIE---AALETYNLMSLKYFTHASPTLFNAGTPKPQMSSCFLVAMKEDSIEGIYDTLKECALISKTAGGIGLHIHNIRSTGSYIAGTNGTSNGLIPMIRVFNNTARYVDQGGNKRPGAFALYLEPWHADIFDFIDIRKNHGKEEIRARDLFPALWIPDLFMKRVEENGTWTLFSPTSAPGLSDCYGDEFEALYTRYEKEGR--GKTIKAQKLWYSILEAQTETGTPFVVYKDACNRKSNQKNLGVIKSSNLCCEIVEYSAPDE---------------------TAVCNLASVA-----------LPAFIET--SEDGKTSTYNFKKLH--------EIAKVV---TRNLNRVIDRNYYPVEEARKSNMRHRPIALGVQGLADTFMLLRLPFDSEEARLLNIQIFETIYHASMEASCELAQKDGPYETFQGSPASQGILQFDMWDQKPY-----GMW----DWDTLRKDIMKHGVRNSLTMAPMPTASTSQILGYNECFEPVTSNMYS-------FQVVNPYLLRDLVDLGIWDEGMKQYLITQNGSIQGLPNVPQELKDLYKTVWEISQKTIINMAADRSVYIDQSHSLNLFLRAPTMGKLTSMHFY--GWKKGLKTGMYYLRTQ-------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3S87.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -242577 for 5511 contacts (-44.0/contact) +
2D Compatibility (PS) -65646 + (NN) -28466 + (LL) 12932
1D Compatibility (HY) -42000 + (ID) 12550
Total energy: -378307.0 ( -68.65 by residue)
QMean score : 0.375
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