Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIVKIENVRVLDPIQKTDSVQTVYLQDGKLVA-------PVDQVEQTIDGQGKWLMPTMVDLCARLREPGQQQHGTLKSEGKAARANGILHVITPPDSKPIVQDNGALIHGLIEKAWHDGGIHMHIIGAQTHGLNGKQPANMAGLKKGGCTAVSNANAAFENDDVVVRTLEYAAGLGLTVVFYAEEPQLAKDGCAHEGFIASRQGLPMIPAIAETVAIAKHLLMIEATGVKAHFGLLSCGASVELIRAAKAKGLPVTADVAMHQLHLTEQLIDGFNSLAHVRPPLRSAQDKELLRQGLKQGVIDAICTHHEPLSSSAKMAPFAETQPGITAFDT-YVALGIQLINEGLFEPLEWVTKVTSAPAQVANMTARWQAEAGW---VLVDPELSWTVSKDTILSQGKNTPLLGQKLTGKVLQTFAV 3GRI Chain:A ((4-412)) -----IKNGKVL---QNGELQQADILIDGKVIKQIAPAIEPSNGVD-IIDAKGHFVSPGFVDVHVHLREPGGEYKETIETGTKAAARGGFTTVCPMPNTRP-VPDSVEHFEALQKLIDDNAQVRVLPYASITTRQLGKELVDFPALVKEGAFAFTDDGVGVQTASMMYEGMIEAAKVNKAIVAHCEDNSLIYGGAMHEGKRSKELGIPGIPNICESVQIARDVLLAEAAGCHYHVCHVSTKESVRVIRDAKRAGIHVTAEVTPHHLLLTEDDIPGNNAIYKMNPPLRSTEDREALLEGLLDGTIDCIATDHAPHARDEKAQPMEKAPFGIVGSETAFPLLYTHFVKNGDWTLQQLVDYLTIKPCETFNLEYGTLKENGYADLTIIDLDSEQEIKGEDFLSKADNTPFIGYKVYGNPILT---

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 A - contact count / total energy / energy per contact / energy per residue : 2432 85010 34.95 213.59 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 34.95 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.416

(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: