Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKGYEVNFDGLVGPTHHYAGLSFGNEASTKNCNNLSNPKLAAKQGLLKMKALADMGMKQGVLAPHERPHVPMLRRLGFTGDDISVVAQAMRYSPELLSSLSSASPMWTANAATVSPSADSQDERVHFTAANLNNKFHRSIEAETTSQVLQAIFKNERHFVHHEALPQVALFG-DEGAANHNRLGGDYAKRGVQVFVYGQQHLNNGLPGPKRYPARQTREASEAIARLHRLDESHTVFVQQNPDVIDQGVFHNDVIAVSNQQVSFHHQHAFLNQDQAFAEIRQKMASIGEDFISIEVPENRVTVDDAVATYLFNSQILTRPDGGMTIVVPEESRQNAAVWSYLNDMIQMGTPIDAIQVYDLRESMRNGGGPACL---RLRVALNETELNAVNPKVLMNDQLFMTLNQWVDKHYRDRLAQEDLADPHLLMESRMAFDELTKILGLGSVYPFQK 4BVA Chain:A ((24-334)) -----------------KRAPAFLSAEEVQD--HLRSSSLLIPPLEAALANFSK-GPDGGVMQP-VRTVVPVAKHRGFLGVMPAYSAAEDALTTKLVTFYES----HQASVLLFDPSNGS-------LLAVMDGNVITAKRTAAVSAIATKLLKPPG-------SDVLCILGAGVQAYSHYEIFTEQ-------FSFKEVRMWN-----------RTRENAEKFASTVQGD----VRVCSS---VQEAVTGADVIIT---------------------------------------------VTMATEPILFGEWV----KPGAHINAVGASRPD---WRELDDELMRQ----AVLYVDSREAALKESGDVLLSGADIFAELGEVISGA-KPAHCEKTTVFKSLG----------MAVEDLVAAKLVYDSWSSG-----------------

General information: TITO was launched using: RESULT: Template: 4BVA.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 : 1853 -50379 -27.19 -168.49 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -27.19 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.228

(partial model without unconserved sides chains): PDB file : Tito_4BVA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BVA-query.scw PDB file : Tito_Scwrl_4BVA.pdb: