Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDMTKIALLSDIHGNTTALEAVLADARQL-----GVDEYWLLGDILMPGTGRRRILDLLDQL---PITARVLGNWEDSLWHGVRKEL--DSTRP--SQRYLLRQCQYVLEEISLEEIEVLHNQPLQIHRQFGDLTVGISHHLPDKNWGRELIHTGKQEEFDRLVT-HPPCDIAVYGHIHQQLLRYGTGGQLIVNPGSIGQPFFLDAQLRKDLRAQYMILEFDDKGLVDMDFRRVDYDVAAELQLAKDLRLPYFEVYYESLVNGIHHTHHQEFLRELAQKEGCDRELDDWLKSGND 1NNW Chain:B ((2-249)) ---VYVAVLANIAGNLPALTAALSRIEEMREEGYEIEKYYILGNIVGLFPYPKEVIEVIKDLTKKENVKIIRGKYDQIIAMSDPHATDPGYIDKLELPGHVKKALKFTWEKLGHEGREYLRDLPIYLVDKIGGNEVFGVYGSPINPFDGEVLAEQPTSYYEAIMRPVKDYEMLIVASPMYPVDAMTR-YGRVVCPGSVGFPPGK------EHKATFALVDVDTL---KPKFIEVEYDKKIIEERIRAEGLPE--EIIKILYHG--------------------------------

General information: TITO was launched using: RESULT: Template: 1NNW.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 : 1301 -31468 -24.19 -133.90 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : -24.19 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.540

(partial model without unconserved sides chains): PDB file : Tito_1NNW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NNW-query.scw PDB file : Tito_Scwrl_1NNW.pdb: