Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MFASVFASLGTRIMFVVLAALLGLGGLFIGFVKVMQKDVLVQLMEHLETGQYKKREKTLAYMTKLLEQGIHKYYKNSDNATARKMALDYFKRINDDKGMIYMVVVDKNGVVLFDPVNPKTVGQSGLSLQSVDGVYYVRGYLEAAKKGGGYTYYKMPKYDGGVPEKKFAYSHYDEVSQMVIAATSYYTDINTENQAIKEGVNKVFNENTTKLFLWILTATIALVVLTLIYAKLRIVKRIDELVLKINAFSRGDKDLRAKIDVGDRNDEISQVGRGINLFVENARLIMEEIKGISTLNKTSMDKLVQITQETQKSMKNSSTTLNSVKNKATDIASMMNASIEQSQGLRKRLIETQGLVKESKDAIGDLFSQITESAHTEEELSSKVEQLSRNADDVKSILDIINDIADQTNLLALNAAIEAARAGEHGRGFAVVADEVRNLAGRTQKSLAEINSTIMVIVQEINDVSSQMNLNSQKMERLSDMSKSVQETYEKMSSNLSSVVLDSNQSMDDYAKSGHQIEAMVSDFAEVEKVASKTLADSSDILNITTHVSGTTMNLDKQVNLFKT |
3UB9 Chain:A ((11-172)) | ----------------------------------------AQLMEHLETGQYKKREKTLAYMTKILEQGIHEYYKSFDNDTARKMALDYFKRINDDKGMIYMVVVDKNGVVLFDPVNPKTVGQSGLDAQSVDGVYYVRGYLEAAKKGGGYTYYKMPKYDGGVPEKKFAYSHYDEVSQMVIAATSYYTDINTENKAIKEGVNK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3UB9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -59260 for 1199 contacts (-49.4/contact) +
2D Compatibility (PS) -17674 + (NN) -8816 + (LL) 31944
1D Compatibility (HY) -21600 + (ID) 7650
Total energy: -83056.0 ( -69.27 by residue)
QMean score : 0.547
|
|
|