Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTDKIFQEKVGPVALTIVPTQKYKSNKIVFKFRAPLERE---TVTKRALLSILLETNSEKYPTQTDFRKQLANLYGANFYTTTAKKGNEHVLTVIFDMIDGQYVSDGNHILEDAFAFMEQALFRPNVANDAFNEETLTREKENLKSSLEGIYDDKIRFASKRLVEEMFRDDEFRFGSAGVLEDIDAITAKDLYEYYLQFIAEDTIEIFICGDVTKEEVMPLI-EKMAFSPRPERKGIFYTKEAPKEVRVIHEQQAINQGKLVLGYQTETLFGDDDFVALQLANGLLGGFANSKIFINVREKASLAYYASSRIDSF--KGYMIISAGIDEVNYEQALKIIEEQVVAMKQGNFTDDELNQTKEMLINQLLETNDQAQGLIELVYNNVLRD-ANLDLENWIAKIKQATKEEVVAAINKIKPD-TIYFLSKGGEELHGKNHI |
3HDI Chain:A ((4-408)) | -----TMTLDNGVRIITEKMSTVRSVSIGIWVGTGSRYESAEENGISHFLEHMFFKGTNTR-SAQEIAEFFDSI-GGQVNAFTSK----EYTCYYAKVLDD--------HAGQAIDTLSDMFFHS-----TFQKEELEKERKVVFEEIKMVDDTPDDIVHDLLSSATYGKHSLGYPILGTVETLNSFNEGMLRHYMDRFYTGDYVVISVAGNVHD-ELIDKIKETFSQVKPTTYNYQGE-KPMFLPNR-IVRKKETEQAHLCLGYPGLP-IGDKDVYALVLLNNVLGGSMSSRLFQDIREKRGLCYSVFSYHSSFRDSGMLTIYAGTGHDQLDDLVYSIQETTSALAEKGLTEKELENGKEQLKGSLMLSLESTNSRMSRNGKNELLLKKHRSLDEMIEQINAVQKQDVSRLAKILLSASPSISLINANGELP----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HDI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -140720 for 3321 contacts (-42.4/contact) +
2D Compatibility (PS) -43452 + (NN) -23318 + (LL) 1096
1D Compatibility (HY) -14800 + (ID) 4050
Total energy: -225244.0 ( -67.82 by residue)
QMean score : 0.502
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