Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVVAWHRPTKAVIHKKAITENVANEVARLPQGKELFAVVKANGYGHGAIETAEAAVAGGASGFCVSNLDEGVELREAGFTQPILILNMVPYDALTVAVAHDLSVTAGTREWLQAAAAVLEKSKLETPLSIHLKADTGMGRIGFCTPEEVKEAAAFIKESRVLEWEGLFTHFSTADQADDTYWNLQKERFIEVLKKLPELPRYVHVSNSATALWHDETIGNMIRYGVAMYGLNPSGHALPEV-YPLQPALELVSELIQVKKLPAGEGIGYGETYITPEAEWIGTIPIGYADGWPRKMQGFSLLVEGNYCETIGRVCMDQLMIRLPQEFPVGTKVTLIGKNADKEITMQDIADQLGTIHYEVACGLGQRIPREYQE 4A3Q Chain:B ((26-370)) --------------------------STLHPNKTVMAVVKANAYGLGSVKVARHLMENGATFFAVATLDEAIELRMHGITAKILVLGVLPAKDIDKAIQHRVALTVPSKQWLKEAIKNISGEQ-EKKLWLHIKLDTGMGRLGIKDTNTYQEVIEIIQQYEQLVFEGVFTHF---------TTE-QYQRFKDMVNEAIK-PEYIHCQNSAGSLLMDCQFCNAIRPGISLYGYYPSEYVQQKVKVHLKPSVQLIANVVQTKTL----------------PTTIALLPIGYADGYLRIMQGSFVNVNGHQCEVIGRVCMDQTIVKVPDQVKAGDSVILIDNHRESPQSVEVVAEKQHTINYEVLCNLSRRLPRIYHD

General information: TITO was launched using: RESULT: Template: 4A3Q.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1696 -157349 -92.78 -493.26 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -92.78 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.501

(partial model without unconserved sides chains): PDB file : Tito_4A3Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4A3Q-query.scw PDB file : Tito_Scwrl_4A3Q.pdb: