Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQTWPFLHNAQSFIQENWNASGFQKPTPVQEQAAQLIM--DGKDVIAESPTGTGKTLAYALPVLERIKPEQKHPQAVILAPSRELVMQIFQVI-QDWKAGSELRAASLIGGANVKKQVEKLKKHPHIIVGTPGRVFELI-KAKKLKMHEVKTIVLDETDQLVLPE-HRETMKQIIKTTLRDRQLLCFSATLKKETEDVLRELAQEPEVLKVQRSKAEAGKVKHQYLICDQRDKVKLLQKLSRLEGMQALVFVRDIGNLSVYAEKLAYHHVELGVLHSEAKKMERAKIIATFEDGEFPLLLATDIAARGLDIENLPYVIHADIPDEDGYVHRSGRTGRAGKEGNVLSLVTKLEESKLKKMAKKLGVELSEAVYAGGKLKTK 3FMO Chain:B ((109-299)) --------------------AMGFNRPSKIQENALPLMLAEPPQNLIAQSQSGTGKTAAFVLAMLSQVEPANKYPQCLCLSPTYELALQTGKVIEQMGKFYPELKLAYAVRGNKLERG-QKISE--QIVIGTPGTVLDWCSKLKFIDPKKIKVFVLDEADVMIATQGHQDQSIRIQRMLPRNCQMLLFSATFEDSVWKFAQKVVPDPNVIKLKR-----------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3FMO.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 : 987 -134367 -136.14 -722.40 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : -136.14 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.601

(partial model without unconserved sides chains): PDB file : Tito_3FMO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FMO-query.scw PDB file : Tito_Scwrl_3FMO.pdb: