Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDKIIVEGGQTRLQGQVVIEGAKNAVLPLLAATILPSQGKTLLTNVPILSDVFTMNNVVRGLDIQVDFNCDKKEILVDASGDILDVAPYEFVSQMRASIVVLGPILARNGHAKVSMPGGCTIGSRPIDLHLKGLEAMGATITQNGGDITAQAE-KLKGANIYMDFPSVGATQNLMMAATLASGTTTIENAAREPEIVDLAQLLNKMGAKVKGAGTETLTIIGVDALHGTEHDVVQDRIEAGTFMVAAAMTSGNVLVKDAIWEHNRPLISKLMEMGVEVSEEEDGIRVKADTKKLKPVTVKTLPHPGFPTDMQAQFTALMAVVNGESTMIETVFENRFQHLEEMRRMGLQTEILRDTAMIHGGRALQGAPVMSTDLRASAALILAGMVAQGQTVVGQLTHLDRGYYQFHEKLAALGANIKRVSEA |
3SG1 Chain:B ((25-442)) | MEKIIVRGGK-RLNGTVRVEGAKNAVLPIIAAALLASDGKNVLSEVPVLSDVYTINEVLRHLNAEVVF--ENNQVTIDASKELNIEAPFEYVRKMRASVQVMGPLLARNGRARIALPGGCAIGSRPIDQHLKGFEAMGAKVQVGNGFVEAYVEGELKGAKIYLDFPSVGATENIMSAATLAKGTTILENAAKEPEIVDLANFLNAMGAKVRGAGTGTIRIEGVDKLYGANHSIIPDRIEAGTFMVAAAITGGDILIENAVPEHLRSITAKMEEMGVKIIEENEGVRVIG-PDKLKAVDIKTMPHPGFPTDMQSQMMALLLQADGTSMITETVFENRFMHVEEFRRMNADIKIEGRSVIMNGPNSLQGAEVGATDLRAAAALILAGLVSEGYTRVTELKHLDRGYVDFHKKLAALGATIERVNE- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SG1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -284112 for 3964 contacts (-71.7/contact) +
2D Compatibility (PS) -44963 + (NN) -12567 + (LL) 56
1D Compatibility (HY) -42000 + (ID) 12250
Total energy: -395836.0 ( -99.86 by residue)
QMean score : 0.498
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