Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSASQLNNKQEEAMKYTQGPLLVLAGAGSGKTSVITRKIAYLVQHCRIPAHRITAMTFTNKAAREMKERVTKLLSREEAKGLSVSTFHTFGLNLLRLELKNLPLKANFSILDADDCKRILMDLMHRNNLSGAESKELIAKAMKKISDWKNDLILPEQAHSTCETPEDVQFAHLYQLYERNLRAYNAVDFDDLIVMPTRLLQENAEVRDKWQNRVRYLLVDEYQDTNTAQYILVKLLVGVMGQFTAVGDDDQSIYAWRGAKPENMALLKQDFPNLHIIKLEQNYRSTSRILKAANCVIQNNPHIFDKKLWSDKGHGEVIRIITCRNDDDEAERVVKDLLTHKLMNGKNWKDYAVLYRGNFQARVLETQLRQMQIPYKLSGGTSFFARAEIKDVMSYLRLIINPEDDSAFLRIINMPKRAIGPVTLEKLGLFAQENNLSLLGASSDQRLSMVLPKKAETQLHEFADFISTFTRELLEDDEPVP-KVRQMMNEAGYIDYIREQSATPAQEKSKLDNIENLFSSIQNLINRAEDVDEKNIESVIRKLVLLDMLEQQQEEEDT--DKVNLLTLHAAKGLEFPYVYIMGLEEELLPHKNSI-AAETIEEERRLMYVGITRARQGLTLTLAEQRKNGGQMKQMTPSRFLDELPQDELEWLGRKKKIAANVDPKEQAQQYLANLKALLKR 2IS6 Chain:A ((10-642)) ------LNDKQREAVAAPRSNLLVLAGAGSGKTRVLVHRIAWLMSVENCSPYSIMAVTFTNKAAAEMRHRIGQLMGTSQG-GMWVGTFHGLAHRLLRAHHMDANLPQDFQILDSEDQLRLLKRLIKAMNLD--EKQWPPRQAMWYINSQKDEGLRPHHIQSYG-NPVEQTWQKVYQAYQEACDRAGLVDFAELLLRAHELWLNKPHILQHYRERFTNILVDEFQDTNNIQYAWIRLLAGDTGKVMIVGDDDQSIYGWRGAQVENIQRFLNDFPGAETIRLEQNYRSTSNILSAANALIENNNGRLGKKLWTDGADGEPISLYCAFNELDEARFVVNRIKTWQ-DNGGALAECAILYRSNAQSRVLEEALLQASMPYRIYGGMRFFERQEIKDALSYLRLIVNRNDDAAFERVVNTPTRGIGDRTLDVVRQTSRDRQLTLWQACRELLQEKALAGRAASALQRFMELIDALAQETA--DMPLHVQTDRVIKDSGLRTMYEQEKGEKGQ--TRIENLEELVTATRQFSYNEED--LMPLQAFLSHAA----LEAGEGQADTWQDAVQLMTLHSAKGLEFPQVFIVGMEEGMFPSQMSLDEGGRLEEERRLAYVGVTRAMQKLTLTYAETRRLYGKEVYHRPSRFIGELPEECVE-------------------------------

General information: TITO was launched using: RESULT: Template: 2IS6.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 : 3382 -150619 -44.54 -240.22 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -44.54 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.485

(partial model without unconserved sides chains): PDB file : Tito_2IS6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IS6-query.scw PDB file : Tito_Scwrl_2IS6.pdb: