Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVVAWHRPTKAVIHKKAITENVANEVARLPQGKELFAVVKANGYGHGAIETAEAAVAGGASGFCVSNLDEGVELREAGFTQPILILNMVPYDALTVAVAHDLSVTAGTREWLQAAAAVLEKSKLETPLSIHLKADTGMGRIGFCTPEEVKEAAAFIKESRVLEWEGLFTHFSTADQADDTYWNLQKERFIEVLKKLPELPRYVHVSNSATALWHDETIGNMIRYGVAMYGLNPSGHALPEV-YPLQPALELVSELIQVKKLPAGEGIGYGETYITPEAEWIGTIPIGYADGWPRKMQGFSLLVEGNYCETIGRVCMDQLMIRLPQEFPVGTKVTLIGKNADKEITMQDIADQLGTIHYEVACGLGQRIPREYQE 3OO2 Chain:A ((29-373)) --------------------------STLHPNKTVMAVVKANAYGLGSVKVARHLMENGATFFAVATLDEAIELRMHGITAKILVLGVLPAKDIDKAIQHRVALTVPSKQWLKEAIKNISGEQ-EKKLWLHIKLDTGMGRLGIKDTKTYQEVIEIIQQYEQLVFEGVFTHFACADEPGDMTTE-QYQRFKDMVNEAIK-PEYIHCQNSAGSLLMDCQFCNAIRPGISLYGYYPSEYVQQKVKVHLKPSVQLIANVVQTKTLQAGESVSYG--YTATDPTTIALLPIGYADGYLRIMQGSFVNVNGHQCEVIGRVCMDQTIVKVPDQVKAGDSVILIDNHRESPQSVEVVAEKQHTINYEVLCNLSRRLPRIYHD

General information: TITO was launched using: RESULT: Template: 3OO2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1850 -165233 -89.32 -483.14 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -89.32 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.510

(partial model without unconserved sides chains): PDB file : Tito_3OO2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OO2-query.scw PDB file : Tito_Scwrl_3OO2.pdb: