Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSILDKLVILLLVSTLPFSSYSYQFRTKAKQAVVLDLASDLFIFEHNSDEKMSPSSMSKLMTLYVAFDYLKAGIIDMKDKFRVSRKAWERK---GSSMFLKEGQSVSVKELLEGVTTVSGNDACITLAEGIAGSEENFVVEMNEVAQNLNLSDSYFVNSSGWPDKDHFMSAKDLVVLAKRIFTDFPEYYDLFSKQYLTYNDIIQKNKNLLLF-HDIGVDGLKTGYTNAGGYGIVISA-KRNDRRIFAVVNGLNTEKERIEEAKRLIQYSFNHFNTKKIFAKDSVVEEINVLYGKERKVSATVANDVTITYNRNLRDKIKVRVEYKDM-IPAPIKKGQEVGKIFIEIPGIEQQTIPLYAVNDVQELNYVEKFFRILF |
3A3J Chain:A ((9-344)) | ----------------------------AQTYVLMDYNSGAILTALNPDQRQYPASLTKMMTSYVVGVALKQGKIHNTDMVTIGESAWGRNFPDSSKMFLDLNTQVSVADLNRGVIVVSGNDATVALAEHISGNVPNFVETMNKYVQQFGLKNTNFTTPHGLDDPNQYSSARDMAIIGAHIIRDLPEEYKIYSEKDFTFNKIKQPNRNGLLWDKTINVDGMKTGHTSQAGYNLVASATTSNNMRLISVVMGVPTYKGREVESKKLLQWGFANFETFKTLEAGKEISEQRVYYGDKNSVKLGAFMDHFITIPKGKQSEVKARYELADKNLQAPLAKGQVIGKVVYALDGKDIASANLQVMNDVGE------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A3J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -159152 for 2789 contacts (-57.1/contact) +
2D Compatibility (PS) -35827 + (NN) -12127 + (LL) 4024
1D Compatibility (HY) -22000 + (ID) 6150
Total energy: -231232.0 ( -82.91 by residue)
QMean score : 0.493
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