Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIVKIENVRVLDPIQKTDSVQTVYLQDGKLVAPV-D----QVEQTIDGQGKWLMPTMVDLCARLREPGQQQHGTLKSEGKAARANGILHVITPPDSKPIVQDNGALIHGLIEKAWHDGGIHMHIIGAQTHGLNGKQPANMAGLKKGGCTAVSNANAAFENDDVVVRTLEYAAGLGLTVVFYAEEPQLAKDGCAHEGFIASRQGLPMIPAIAETVAIAKHLLMIEATGVKAHFGLLSCGASVELIRAAKAKGLPVTADVAMHQLHLTEQLIDGFNSLAHVRPPLRSAQDKELLRQGLKQGVIDAICTHHEPLSSSAKMAPFAETQPGITAFDTYVALGIQ-LINEGLFEPLEWVTKVTSAPAQVANMTAR---WQAEAGWVLVDPELSWTVSKDTILSQGKNTPLLGQKLTGKVLQTFAV 3GRI Chain:B ((3-414)) ----LIKNGKVLQNG--ELQQADILIDGKVIKQIAPAIEPSNGVDIIDAKGHFVSPGFVDVHVHLREPGGEYKETIETGTKAAARGGFTTVCPMPNTRPVPDSV-EHFEALQKLIDDNAQVRVLPYASITTRQLGKELVDFPALVKEGAFAFTDDGVGVQTASMMYEGMIEAAKVNKAIVAHCEDNSLIYGGAMHEGKRSKELGIPGIPNICESVQIARDVLLAEAAGCHYHVCHVSTKESVRVIRDAKRAGIHVTAEVTPHHLLLTEDDIPGNNAIYKMNPPLRSTEDREALLEGLLDGTIDCIATDHAPHARDEKAQPMEKAPFGIVGSETAFPLLYTHFVKNGDWTLQQLVDYLTIKPCETFNLEYGTLKENGYADLTIIDLDSEQEIKGEDFLSKADNTPFIGYKVYGNPILTMV-

General information: TITO was launched using: RESULT: Template: 3GRI.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 : 2491 31770 12.75 78.83 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : 12.75 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.440

(partial model without unconserved sides chains): PDB file : Tito_3GRI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GRI-query.scw PDB file : Tito_Scwrl_3GRI.pdb: