Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGSATKYQRTLFEPEHELFRESYRAFLDRHVAPYHDEWEKTKIVDRGVWLEAGKQGFLGMAVPEEYGGGGNADFRYNTVITEETCAGRYSGIGFGLHNDIVAPYLLALATEEQKRRWFPNFCTGELITAIAMTEPGTGSDLQGITTRAVKHGDHYVLNGSKTFITNGINSDLVIVVAQTDPEKGAQGFSLLVVERGMAGFERGRQLDKIGLDAQDTAELSFTDVAVPAENLLGQEGMGFIYLMQNLPQERISIAIMAAAGMESVLEQTLQYAKERKAFGRSIGSFQNSRFLLAELATEATVVRIMVDEFIKLHLAGKLTAEQAAMAKWYATEKQVYLNDRCLQLHGGYGYMREYPVARAYLDSRVQTIYGGTTEIMKEIIGRGLGV |
4L1F Chain:B ((8-377)) | --------------DQQMIKDMAAEFAEKFLAPTVEERDKAHIWDRKLIDKMGEAGFCGICFPEEYGGMGLDVLSYILAVEELSKVDDGTGITLSANVSLCATPIYMFGTEEQKQKYLAPIAEGTHVGAFGLTEPSAGTDASAQQTTAVLKGDKYILNGSKIFITNGKEADTYVVFAMTDKSQGVHGISAFILEKGMPGFRFGKIEDKMGGHTSITAELIFEDCEVPKENLLGKEGEGFKIAMETLDGGRIGVAAQALGIAEGALAAAVKYSKEREQFGRSISKFQALQFMMADMATKIEAARYLVYHAAMLKNEGKPYSEAAAMAKCFASDVAMEVTTDAVQIFGGYGYTVDYPAERYMRNAKITQIYEGTNQVMRIVTSRAL-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4L1F.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -180635 for 3457 contacts (-52.3/contact) +
2D Compatibility (PS) -39936 + (NN) -16763 + (LL) 924
1D Compatibility (HY) -20800 + (ID) 6850
Total energy: -264060.0 ( -76.38 by residue)
QMean score : 0.503
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