Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLVLIGGGYGNMRVLHRLLPNQLPDDVSITLIDRNPYHCLKTEYYALAAGTISDHHIRVSFPEHP---RLDVQYGDITSIDIVQKQVLFQDREPISYDDAIIGLGCEDKYHNVPGAPEFT---YSIQTIDQSRETYQKLNNLSANATVAIVGAGLS------GVELASELRESRD----D---LNIILFDRGNLILS---SFPERLSKYVQKWFEEHGVRIINRANITKVEEG-V----VYNHDDPISADAIVWTAGI-----QPNKVVRD-LDVEKDAQGRIVLTPHHNLPGDEHLYVVGDCASLP----------HAPSAQLAEAQAEQIVQILQKRWNGEALPESMPQFKL-KGVLGSLGKKAGFGLVA--------DRPLIGRVPRMLKSGLLWMYKHHNG 3SX6 Chain:A ((4-405)) SAHVVILGAGTGGMPAAYEMKEAL-GSGHEVTLISANDYFQFVPSNPWVGVGWKERDDIAFPIRHYVERKGIHFIAQSAEQIDAEAQNITLADGNTVHYDYLMIATGPKLAFENVPGSDPHEGPVQSICTVDHAERAFAEYQALLREPGPIVIGAMAGASCFGPAYEYAMIVASDLKKRGMRDKIPSFTFITSEPYIGHLGIQGVGDSKGILTKGLKEEGIEAYTNCKVTKVEDNKMYVTQVDEKGETIKEMVLPVKFGMMIPAFKGVPAVAGVEGL-CNPGGFVLVDEHQRSKKYANIFAAGIAIAIPPVETTPVPTGAPKTGYMIESMVSAAVHNIKADLEGRKGEQTMG--TWNAVAFADMGDRGAAFIALPQLKPRKVDVFAYGRWVHLAKVAFEKYFIRKM-

General information: TITO was launched using: RESULT: Template: 3SX6.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 : 2116 5186 2.45 14.82 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 2.45 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.453

(partial model without unconserved sides chains): PDB file : Tito_3SX6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SX6-query.scw PDB file : Tito_Scwrl_3SX6.pdb: