Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKSYKFLKEVLHRLKNIENTLKVLDQSQLNVEDKVEQMGLLEEIRHEIISHNIIKESLAEAGTPSNKKKGDSWQLKLIERMHKSNSAIPIDLVKSLSKVKIECQNLRRLSQSEPSSLEKLKERFADLVKLIRGVVSIKSQQLKC-----SKYDSLLADYDSDITEKDVKEIFPKLGKFFSDNIDRIIEKQKKDKITNTQKIATQKQ-IELGSLCLQQ-----IGVTSHHTFYHHPID-------------YDESDFCYGLFLLLRYSGHEIYQRCLAQNSISSSFTRYI---MCETQGLFMERMIGTSREFIEFIQPYIKEKLTIKGKVNAKINSVENLYLIFNKVNLSSPLKKADEFSLLANIMLRTKLEQDIINGTLEVKDLHDAWLEGMEHYKIPVKAKNELDTYFQDEYWVSGTMGYFPIKIIALIIAVQIFSFIKKNHYEFLGAIIKGDFGLLIGWLSQNVCSAKCGFL--DLLKKVTGKGLDVECCSSYLSEKYDLSQ |
1KA2 Chain:A ((51-498)) | --------------------------------------GELSVLSHELLLHPEFVNLVEKAKGLENLNEYERGIVRVLDRSIRIARAFPPEFIREVS----ETTSLATKAWEE----AKAKDDFSKFEPWLDKIISLAKRAAEYLGYEEEPYDALLDLYEEGLRTRDVEKMFEVLEKKLKPLLDKILEEGKVPREHPLEKEKYEREWMERVNLWILQKFGFPLGTRARLDVSAHPFTTEFGIRDVRITTRYEGYDFRRTILSTVHEFGHALYELQQDERFMFTPIAGGVSLGIHESQSRFWENIIGRSKEFVELIYPVLKENLPFMSNYTP-----EDVYLYFNIVRPDFIRTEADVVTYNFHILLRFKLERLMVSEEIKAKDLPEMWNDEMERL-LGIRPRKYSEGILQDIHWAHGSIGYFPTYTIGTLLSAQLYYHIKKDIPDFEEKVAKAEFDPIKAWLREKIHRWGSIYPPKELLKKAIGEDMDAEYFVRWVKEKYL--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1KA2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -200580 for 3270 contacts (-61.3/contact) +
2D Compatibility (PS) -44489 + (NN) -15076 + (LL) 4568
1D Compatibility (HY) -26400 + (ID) 5400
Total energy: -287377.0 ( -87.88 by residue)
QMean score : 0.460
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