Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAHKHKLDSILDFPEASEREDNIIELKTWMSRLRCNKDDQIKSNSVVNAELILTNDSNLAGTIAYNEFSGYIHLLKDSPWINRTAGEWEDSFEDALTAY------IEENYNVVFDDNKIHKAVVNVARKNVFNPVKERIEKVKWD-QQPRLETLFIDLLGVDDNLYTREVTKRWIVGSVARIYKPGIKFE---IVPVLDG-------------PQGIGKSTVPALLYTDDFFTDSLDSLGEKKDDYMQLQG--NVIIELGELSSMNKTKIEQIKNFISAKI--DKIRPPYGRNVIAWARQCVFIGTSNDGQYLK---------------DDTGNRRFYPLPCKNKP-KMNPF-KTKDEYFLQVLAEAKVLF-----DKGQRIYFSPDEDKEVLE--IAKDY--QEDAKMENPIKEAITKY-------------LEMEIPYKW---EEAPAWARRSYYQ-NYPDSKCNEKNLQHF--YNGAT-------------MQQEFYLVDSVLTADI----LEAVFDKQAKDLLNGRSDAETKKIAL--IISSIPGWERK-----QLPKRNKRRGFYNKSNAYENKNRAGKYKK 4OUA Chain:B ((4-557)) ------LLATVGPTGGVKNRLDIVDF---------VRDEKFFTLYIRALQAIQDKDQSDYSS--FFQLSG-IHGLPFTPW-AKPKDTPTVPYESGYCTHSQVLFPTWHRVYVSIYEQILQEAAKGIAKK--FTVHKKEWAQAAEDLRQPYWDTGF-ALVPPDEIIKLEQVKITNYDGTKITVRNPILRYSFHPIDPSFNGYPNFDTWKTTVRNPDADKKENIPALIGKLDL---EADSTREKTYNMLKFNANWEAFSNHGEFDDTHANSLEAVHDDIHGFVGRGAIRGHMTHALFAAFDPIFWLHHSNVDRHLSLWQALYPGVWVTQGPEREGSMGFAPGTELNKDSALEPFYETEDKPWTSVPLTDTALLNYSYPDFDKVKGGTPDLVRDYINDHIDRRYGIKKSEGGKNPAQDLLSDFKGVTHDHNEDLKMFDWTIQASWKKFELDDSFAIIFYFAADGSTNVTKENYIGSINIFRGTTPTNCANCRTQDNLVQEGFVHLDRFIARDLDTFDPQAVHRYLKEKKLSYKVVADDHSVTLKSLRIRVQGRPLHLPPGVSFPRLDKNIPIVNFDDVLDLVTG------

General information: TITO was launched using: RESULT: Template: 4OUA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2420 125757 51.97 274.58 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : 51.97 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.006

(partial model without unconserved sides chains): PDB file : Tito_4OUA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OUA-query.scw PDB file : Tito_Scwrl_4OUA.pdb: