Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFIHIVGPGDSLFSIGRRYGASVDQIRGVNGLDETN-IVPGQALLIPL--YVYTVQPRDTLTAIAAKAFVPLERLRAANPGISPNALQAGAKITIPSISNYIAGTLSFYVLRN-----PDLDRELINDYAPYSSSISIFEYHIAPNGDI-ANQLNDAAAIETTWQRRVTPLATITNLTSGGFSTEIVHQVLNNPTARTNLVNNIYDLVSTRGYGGVTIDFEQVSAADRDLFTGFLRQLRDRLQAGGYVLTIAVPAKTSDNIP--WLRGYDYGGIGAVVNYMFIMAYDWHHAGSEPGPVAPITEIRRTIEFTIAQVPSRKIIIGVPLYGYDWIIPYQPG-TVASAISNQNAIERAMRYQAPIQYSAEYQSPFFRYSDQQGRTHEVWFEDVRSMSRKMQIVREYRLQAIGAWQLTLGFTPGPWLLRKFFTIRKV 4S3K Chain:A ((6-422)) --IYTVKAGDSIYSIAKQFRIDAGKIIRANELPNPNQLVIGQSMVIPINGTYYTVKAGDTIWKVGRKLGVSYQAIANANNVSVTAPLTPGRRILIPPSPNKRNGEFLGYVETSNRKITPQTEK-MINQNAKYLTYLGPANFEVQKDGSLKAPPLNNLGSIAK--ENDVIFLMVLANIENGAFSDEVGRAILNNKDVQDTLLNNIVKTAKEQNFRDIHFDFEFLRPADKEAYIAFLQKAKKRLQDEQLLMSVALAPKTSRDQKGKWYEAHDYKAIGEIANFVVPMTYE----GGPPMAVSPIGPVRDVLEYAVSEIPSSKIIMGQNLYGYDWTLPYKPGGEYAKAISPQRAIELAARYKVAIQYDNKAQAPFFRYKDEQQRTHEVWFEDARSIQAKFDLIKELKLRGMAYWKLGLDF-PQNWLL---------

General information: TITO was launched using: RESULT: Template: 4S3K.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 : 2141 -247592 -115.64 -617.44 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -115.64 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_4S3K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4S3K-query.scw PDB file : Tito_Scwrl_4S3K.pdb: