Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------MGWIHICDSKMSNVDKIRKIHIIVCWMYIFLSFNPIISNTEYFLLI-----FLAFIYSIVSLPLYSVKNKIVSICLAINSILLMSFPILINKFFPESFLTYTVLISVFITELIIFHLIGEDFATKLTNEYKKISQF--------------------------RSKVSQSPWIKYLEISSFILTIFPSILYGTVDNHVLTLIFLIKICVDTTIKFLFIRLFDTSTLMKRRIFFLFALDVIAYLFLGYLLVIQKAGYLFSVLLLFSNFSVPFIKEKEFELFKNSK 1CHM Chain:A ((156-401)) MIKSAEEHVMIRHGARIADIGGAAVVEALGDQVPEYEVALHATQAMVRAIADTFEDVELMDTWTWFQSGINTDGA-HNPVTT---RKVNKGDILSLNCFPMIAGYYTALERTLFLDHCSDDHLRLWQVNVEVHEAGLKLIKP-GARCSDIARELNEIFLKH----------------DVLQYRTFGYGHSFGT-LSHYYGREAGLELREDIDTVLEPGMVVSMEPMIMLPE------------------------------------------------------------------GL----PGAG-GYREHDILIVNENGAENIT--KFPYGPEKNII-R----------

General information: TITO was launched using: RESULT: Template: 1CHM.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 : 552 -71685 -129.86 -490.99 target 2D structure prediction score : 0.34 Monomeric hydrophicity matching model chain A : 0.50 3D Compatibility (PKB) : -129.86 2D Compatibility (Sec. Struct. Predict.) : 0.34 1D Compatibility (Hydrophobicity) : 0.50 QMean score : 0.128

(partial model without unconserved sides chains): PDB file : Tito_1CHM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1CHM-query.scw PDB file : Tito_Scwrl_1CHM.pdb: