Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKQSLFFVPGIILIGVSLRTPFTVLPIILGNISQGLEVEVSSLGVLTSLPLLMFTLFSPFSTQLAQKIGLEHLFTYSLFFLTIGSLIRL-I-----NLPLLYLGTLMVGASVAVINVLLPSLIQANQP-KKIGFLTTLYVTSMGIATALASYLAVPITQA-SSWKGLILLLTLLCLATFLVWLPNHRYNHRL-------APQ--TKQK-----SQIKVMRNKQVWAIIIFSGFQSLIFYTVMTWLPTMSIHA-GLSSHEAGLLTSILSLISIPFSMTIPSLTTSLSTRNRQLMLTLVSL--AGVIGISMLFF-PINNFIYWLAIHLLIGTATSALFPYLMVNFSLKTSAPEKTAQLSGLSQTGGYILA-AFGPTLFGYSFDLFHSWVPSVAALLLIDILMTVALFTVDRADKIL 1PW4 Chain:A ((25-431)) --RLRWQIFLGIFFGYAAYYLVRKNFALAMPYLV-EQGFSRGDLGFALSGISIAYGFSKFIMGSVSDRSNPRVFLPAGLILAAAVMLFMGFVPWATSSIAVMFVLLFLCGWFQGMGWPPCGRTMVHWWSQKERGGIVSVWNCAHNVGGGIPPLLFLLGMAWFNDWHAALYMPAFCAILVALFAFAMMRDTPQSCGLPPIEEYKND----TAKQIFMQYVLPNKLLWYIAIANVFVYLLRYGILDWSPTYLKEVKHFALDKSSWAYFLYEYAGIPGTLLCGWMSDKVF-RGN-RGATGVFFMTLVTIATIVYWMNPAGNPTVDMICMIVIGFLIYGPVMLIGLHALELA-PKKAAGTAAGFTGLFGYLGGSVAASAIVGYTVDFFG-WDGGFMVMIGGSILAVILL----------

General information: TITO was launched using: RESULT: Template: 1PW4.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 : 1800 -254406 -141.34 -693.20 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -141.34 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.323

(partial model without unconserved sides chains): PDB file : Tito_1PW4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PW4-query.scw PDB file : Tito_Scwrl_1PW4.pdb: