Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDTSTSVTYDSSLQISQFILMGLPGIHEWQHWLSLPLTLLYLLALGANLLIIITIQHETVLHEPMYHLLGILAVVDIGLATTIMPKILAIFWFDAKAISLPMCFAQIYAIHCFFCIESGIFLCMAVDRYIAICRPLQYPSIVTKAFVFKATGFIMLRNGLLTIPVPILAAQRHYCSRNEIEHCLCSNLGVISLACDDITVNKFYQLMLAWVLVGSDMALVFSSYAVILHSVLRLNS-----------------------------------------------------------------------------------------------------------------------------------------------------------------AEAMSKALSTCSSHLILI-LFHTGIIVLSVTHLAEKK-IPLIPVFLNVLHNVIPPALNPLACALRMHKLRLGFQRLLGLGQDVSK |
3RZE Chain:A ((10-443)) | -------------------------------PLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILG-WNH--------RREDKCETDFY---------DVTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYLHMNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKNCCNEHLHMFTIWLGYINSTLNPLIYPLCNENFKKTFKRILHI------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3RZE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -259347 for 1942 contacts (-133.5/contact) +
2D Compatibility (PS) -26781 + (NN) -6812 + (LL) 3380
1D Compatibility (HY) -18400 + (ID) 2450
Total energy: -310410.0 ( -159.84 by residue)
QMean score : 0.172
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