Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQNKRKHLQTLFETL-GEKHQFNGTVLAAEGGDILYHHSFGYAEMTEKRPLKTNSLFELASLSKPFTALGIILLEEKGILGYEDKVDRWLPGFPY---QGVTIRHLLNHTSGLPDYMGWFFANWD-------SHKIAVNQDIVDMLMNEGLSGYFEPNEGWMYSNTGYVLLAVIIEKASGMSYADFIKTSIFLPAGMNETRVYNRRLSPERIDHYAYGYVYDVHSETYVLPDELEETNYVVYLDGIQGDGTVNSVTSDLFRFDQALYQD--DFISKASKESAFSPVRLNN---GETIDYGFGWVLQNS-PEKGRIVSHSGGWPGYSTMMIRYIDHRKTLIYLSNKEEDTEYEQAILKAAEHILFGQPYDVPERPADKKKKAIDTAIYSRYVGSYLLQDG-TAAQVTTENERLYLEIAGQL---RLELFPSSETRFFLRA------LSVEVEFTLGEDAAKSFILYEDGSEEEAVRTK 2QMI Chain:A ((3-435)) -----VGKLESFIVEKMAERKVPGISISIIKDGDVVYAKGFGYRNVEARLPSTPETIYGIGSITKSFTALAIMKLVEEGGLSLDDPVEKFVNIKLRPFGEPVTVHHLLTHSSGIPSLGYAE-AFIDGMVGGDNWLPVSTPEETIAFARDMEKWAVAKPGERFFYLNTGYVLLGKIIEKVSGVSYEEYIKKKILEPLGMNRSYFFKEEVE--KDKDVAMGYILDKEGRLV---------PQP-FPYGITADGGLLSSVLDLAKYLKMYIERDESIVSKEYIEKMETSYIKVPWEIFGGEGYGYGLIIYPNFLGE-KLVGHSGSVGMYTGYIGYIPEKKIGVAVLENSSGYPPS-YI-AMYALALLLGKNPEKE------LPFIYRERILKKVEGRYMGYKGTIKFEVKVDGDVVYLRALGRAFTYTIPLFPEVLEEDFIKCYTLSNGRKMYAEFYIKD-NKV-----------------

General information: TITO was launched using: RESULT: Template: 2QMI.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 : 2288 -12029 -5.26 -29.63 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -5.26 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.397

(partial model without unconserved sides chains): PDB file : Tito_2QMI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QMI-query.scw PDB file : Tito_Scwrl_2QMI.pdb: