Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ----MRD-------LTDDVALMRPVIDALRASGCDPDRVLVRVGLPPGGLPAGRFPHSAQNLFWKAAADECGEEHVGLHLAEHLPAFHGLLLE----YLFLSSDTFGAGLRHSLRYVRLLSDT-----LQAQLEVEGERA----------VLSLGES---PAINRHFPEMLAGAVIRLFGA------------------LTEGEF---KPLEVQLMNETGAP------------MERYRAVYG-------CPTILGMP-----------------RYALVFDAAVL-----------DKPSRHAAPELLRMHESLARRQLAEVER-----LDLVRQVRELIGELLV-DGGATLEQVA----ARLG-----------------------MPARRLRERLAMAGVRFND-----LVTDYRCRLAK---ELLLKTDERIEVIVERTGFSEPSTFYRAFKRWVGETPVEFRRRGQQGRG |
4MR0 Chain:A ((114-571)) | TALSVKDYGAVGDGIHDDRQAIQDAIDAAAQ------------GLGGGNVYFPEGTYLVKEIVFL-------KSHTHLELNEKATILNGINIKNHPSIVFMTGLFTDDGAQVEWGPTEDISYSGGTIDMNGALNEEGTKAKNLPLINSSGAFAIGNSNNVTIKNVTFKDSYQGHAIQIAGSKNVLVDNSRFLGQALPKTMKDGQIISKESIQIEPLTRKGFPYALNDDGKKSENVTIQNSYFGKSDKSGELVTAIGTHYQTLSTQNPSNIKILNNHFDNMMYAGVRFTGFTDVLIKGNRFDKKVKGESVHYRESGAALVNAYSYKNTKDLLDLNKQVVIAENIFNIADPKTKAIRVAKDSAEYLGKVSDITVTKNVINNNSKETEQPNIELLRVSDNLVVSENSIFGGKEGIVIEDSKGKITVLNNQFYNLSGKYISFIKSNANGKEPVISDGNFNIVTENGLYKIVTNNLSDKN |
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General information:
TITO was launched using:
| RESULT:
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Template: 4MR0.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -96507 for 2156 contacts (-44.8/contact) +
2D Compatibility (PS) -31440 + (NN) 13362 + (LL) 860
1D Compatibility (HY) -10000 + (ID) 2950
Total energy: -126675.0 ( -58.75 by residue)
QMean score : 0.113
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