Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MITVVKRNGRIEPLDITKIQKYTKDATD--NLEGVSQSELEVDARLQFRDKITTEEIQQTLIKTAVDKIDIDTPNWSFVASRLFLYDLYHKVSGFTG--YRHLKEYFENAEEKGRILKGFKEKFDL-----EFLNSQIKPERDFQFNYLGIKTLYDRYLLKDANNHPIELPQHMFMSIAMFLAQNEQELNKIALEFYEVLSKFEAMCATPTLANARTTKHQLSSCYIGSTPDN-IEGIFDSYKEMALLSKYGGGIGWDFSLVRSIGSYIDGHKNASAGTIPFLKIANDVAIAVDQLGTRKGAIAVYLEIWHIDVMEFIDLRKNSGDERRRAHDLFPALWVCDLFMKRVLEDAMWTLFDPYECKDLTELYGQDFEKRYLEYEKDPKIIKEYINAKDLWKKILMNYFEAGLPFLAFKDNANRCNPNAHAGIIRSSNLCTEIFQNTAPNHYYMQIEYTDGAIEFFEEKELVTTDSNITKCANKLTSTDILKGKKIYIATKVAKDGQTAVCNLASINLSKINTEE---DIKR---VVPIMVRLLDNVIDLNFYPNRKVKATNLQNRAIGLGVMGEAQMLAEHQIAWGSKEHLEKIDALMEQISYHAIDTSANLAKEKGVYKDFENSEWSKGIFPIDKANNEALKLTEKGLFNHACDWQGLREKVKANGMRNGYLMAIAPTSSISILVGTTQTIEP----IYKKK--------------------WFEENLSGLIPV-----VVPNLNVETWNFYTSAYDIDAKDLIKAAAVRQKWIDQGQSINVFLRIENASGKTLHEIYTLAWKLGLKS-TYYLRSESPSIDEKSVLDRSVECFNCQ |
3HNC Chain:B ((3-741)) | ---VIKRDGRQERVMFDKITSRIQKLCYGLNMDFVDPAQITMKVIQGLYSGVTTVELDTLAAETAATLTT-KHPDYAILAARIAVSNLHKETKKVFSDVMEDLYNYINPHNGKHSPMVA-KSTLDIVLANKDRLNSAIIYDRDFSYNYFGFKTLERSYLLK-INGKVAERPQHMLMRVSVGIHKEDID---AAIETYNLLSERWFTHASPTLFNAGTNRPQLSSCFLLSMKDDSIEGIYDTLKQCALISKSAGGIGVAVSCIRATGSYIAGTNGNSNGLVPMLRVYNNTARYVDQGGN-PGAFAIYLEPWHLDIFEFLDLKKNTGKEEQRARDLFFALWIPDLFMKRVETNQDWSLMCPNECPGLDEVWGEEFEKLYASYEKQGR-VRKVVKAQQLWYAIIESQTETGTPYMLYKDSCNRKSNQQNLGTIKCSNLCTEI------------VEYT-------------------------------------------SKD-EVAVCNLASLALNMYVTSEHTYDFKKLAEVTKVVVRNLNKIIDINYYPVPEACLSNKRHRPIGIGVQGLADAFILMRYPFESAEAQLLNKQIFETIYYGALEASCDLAKEQGPYETYEGSPVSKGILQYDMWN-----VTPTDLW----DWKVLKEKIAKYGIRNSLLIAPMPTASTAQILGNNESIEPYTSNIYTRRVGEFQIVNPHLLKDLTERGLWHEEMKNQIIACNGSIQSIPEIPDDLKQLYKTVWEISQKTVLKMAAERGAFIDQSQSLNIHIAEPNYGKLTSMHFY--GWKQGLKTGMYYLRTR-------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3HNC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -291327 for 6018 contacts (-48.4/contact) +
2D Compatibility (PS) -73619 + (NN) -30628 + (LL) 6684
1D Compatibility (HY) -52000 + (ID) 13550
Total energy: -454440.0 ( -75.51 by residue)
QMean score : 0.412
|
|
|