Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKLLRGTFVLTLGTYISRILGMVYLIPFSIMVGATGGALFQYGYNQYTLFLNIATMGFPAAVSKFVSKYNSKGDYETSRKMLKAGMSVMLVTGMIAFFILYLSAPMFAEISLGGKDNNGLTIDHVVYVIRMVSL-----ALLVVPIMSLVRGFFQGHQMMGPTA---VSQVVEQIVR-------------IIFLLSATF-------LILKVFNGGL-------VIAVGYATFAALIGAFG--------------GLVVLYI--YWNKRKGSLLAMMPNTGPTANLSYKKMFFELFSYAAPYVFVGLAIPLYNYIDTNTFNKAMIEAGHQAISQDMLAILTLYVQKLVMIPVSLATAF-GLTLIPTITESFTSGNYKLLNQQINQTMQTILFLIIPAVVGISLLSGPT--YTFFYGSESLHPELGANILLWYSPVAILFSLFTVNAAILQGINKQKFAVVSLVIGVVIKLVLNVPLIKLMQADGAILATALGYIASLLYGFIMIKRHAGYSYKILVKRTVLMLVLSAIMGIAVKIVQWVLGFFISYQDGQMQAAIVVVIAAAVGGAVYLYCGYRLGFLQKILGRRLPGFFRKGRHAG--- 3CB4 Chain:A ((1-555)) -MKNIRNFSIIAHISTLSDRIIQICGGQSVTLDYKASDG-------ETYQLNF-IDTPG------------HVDFSYEVSRSLAACEGALLVVDAGQG-----VEAQTLANCYTAMEMDL-----EVVPVLNKIDLPAADPERVAEEIEDIVGIDATDAVRCSAKTGVGVQDVLERLVRDIPPPEGDPEGPLQALIIDSWFDNYLGVVSLIRIKNGTLRKGDKVKVMSTGQTYNADRLGIFTPKQVDRTELKCGEVGWLVCAIKDIHGAPVGDTLTLARNPAEKALPGFKK--------VKPQVYAGLFPV--SSDDYEAFRDALGKLSLNDAS------LFYEPESSSALGFGFRCGFLGLLHMEIIQERLEREY----DLDLITTAPTVVYEVETTSREVIYVDSPSKLPAVNNIYELREPIAECHMLLPQAYLGNVITLCVEKRGVQTNMVYH---------GNQVALTYEIPMAEVVLDFFDRLKSTSRGYASLDYNFKRFQASDMVRVDVLINGERVDAL--ALITHRDNSQNRGRELVEKMKDLIPRQQFDIAIQAAIGT--------------HIIARSTVKQLRKNVLAKCYG

General information: TITO was launched using: RESULT: Template: 3CB4.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 : 2607 -224060 -85.95 -478.76 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -85.95 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.240

(partial model without unconserved sides chains): PDB file : Tito_3CB4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CB4-query.scw PDB file : Tito_Scwrl_3CB4.pdb: