Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSLSQVNADVLKQAQQRIQQDLLTTLAAF---SIPEPLKSAVHHAVMLGGKRVRPALCYATASLQDNPNFAAARRAAVAVELIHCYSLAHDDLPCMDNDLLRRGQPTCHVAFGEDTALLAG----DILQSMAFEVLGSRLFDEQGQGTDAAIVLKQIQ------ILATASSKMVCGQVLDLQAEAKQISQDELENIHRNKTGALIQAAIMMGAVTIFPGTDQAIPKL-RQYGQAIGLAFQVQDDILDITSSTETLGKTAGKDEQVQKSTYPALMGLEQAQIYAKELHDQAFEALAHFGENAKELVEISQFLLARTN 4GP2 Chain:A ((4-244)) ---------DVVSRLHQKYGAEVEKALVRYLSIGLAEDFREAVLYQVKTGGKRLRPLLTLAAAEAVSG-QWRPALPAAAIVELIHNYSLIYDDI--IDRGDVRRGLPTVRKAFGDNAAILVGIWYREAIEEAVLDTPKPTLF-----AKEVAEVIKAIDEGERLDILFEAAGR---SDPYFVQARWREVTLDDYIKMVSLKTGALIAAAAKWGVLSV--SDDRGLAEAAWNFGMAAGVAFQIIDDVLDIYGDPKKFGKEIGKD------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4GP2.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 : 1014 -47622 -46.96 -209.79 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -46.96 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.421

(partial model without unconserved sides chains): PDB file : Tito_4GP2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GP2-query.scw PDB file : Tito_Scwrl_4GP2.pdb: