Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTDNSNIRVVVGMSGGVDSSVTALLLKEQGYDVIGVFMKNWDDTDEFGVCTATEDYKDVAAVADQIGIP-YYSVNFEKEYWDRVFEYFLAEY--RAGRTPNPDVMCNKEIKFKAFLDYAMTLGADYVATGHYAQVTRDENGIVHMLRGADNNKDQTYFLSQLSQEQLQKTLFPLGHL-------QKPEVRRIAEEAGLATA---KKKDSTGICFIGEKNFKDFLGQYLPAQPGRMMTVDGRDMGEHAGLMYYTIGQRGGLGIGGQHGGDNKPWFVVGKDLSKNILYVGQGFYHDSLMSTSLTASEIHFTRDMPNEFKLECTAKFRYRQPDSKVTVYVKGNQARVVFDDLQRAITPGQAVVFYNEQECLGGGMIDQAYRDDKICQYI |
2NZ2 Chain:A ((5-198)) | -----KGSVVLAYSGGLDTSCILVWLKEQGYDVIAYLANIGQ----------KEDFEEARKKALKLGAKKVFIEDVSREFVEEFIWPAIQSSALYEDRYLLGTSLARP-CIARKQVEIAQREGAKYVSHGATGKGNDQV--RFEL--S----------CYSLA--PQIKVIAPWRMPEFYNRFK-RNDLMEYAKQHGIPIPVTPKNPWSMDENLMHISYEAGILENPKNQAPPGLYTKTQDPAKAPNTPDILEIEFKKGVPVKVTNVKDGTTHQTSLELFMYLNEVAGKHGVGRIDIVENRFIGMKSRGIYETPAGTILYHAHLDIEAFTMDREVRKIKQGLGLKFAELVYTGFWHSPECEFVRHCIAKSQERVEGKVQVSVLKGQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2NZ2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -97228 for 1384 contacts (-70.3/contact) +
2D Compatibility (PS) -19794 + (NN) -7083 + (LL) 1248
1D Compatibility (HY) -7200 + (ID) 1800
Total energy: -131857.0 ( -95.27 by residue)
QMean score : 0.505
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