Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKVLRVLVTTTALLAAGAAMADEAVVHDSYAFDKNQLIPVGARAEVGTTGYGGALLWQANPYVGLALGYNGGDISWTDDVSVNGTKYDLDMDNNNVYLNAEI----RPWGASTNPWAQGLYIAAGAAYLDND-YDLAKRIGNGDTLSIDGKNYQQAVPGQEGGVRGKMSYKNDIAP-YLGFGFAPKISKNWGVFGEVGAYYTGNPKVELTQYNLASVTGNPTSAQDAVDKEAN------EIRNDNKYEWMPVGKVGVNFYW-------------------------- 5KDS Chain:A ((20-530)) HMASVLELEMRGDSISEAKKRKVWNFQDWQITGLSARAGDKITVYVDVAEGDPTPTLLYKQSLTQHGGATSFQLKPGKNEITIPEINYESNGIPKDVIQGGDLFFTNYKSDSQKRAPKVRIEGASKYPVFILGKSDENEVMKELEAYVEKIKAEPKTTPNIFAVSSNKSLEFVQATYALDWYKKNNKTPKYTAEQWDQYIADAMGFWGFDNSKDVNSDFNFRIMPMVKNLSGGAFMNAGNGVIGIRPGNQDAILAANKGWGVAHELGHNFDTGGRTIVEVTNNMMPLFFESKYKTKTRITDQNIWENN------TYPKVGLDDYSNNEL------------YNKAD---STHLAQLAPLWQLYLYDNTFYGKFERQFRERDFGNKNREDIYKSWVVAASDAMELDLTEFFARHG----IRVDDKVKEDLAKYPKPDK--KIYYLNDLAMNYKGDGF------------------TENAKVSVST----SGSNGNIKLSFSVDDENKDNILGYEIRRDGKYVGFTSNDSFVDTKSNLDEDGVYVVTPYDRKLNTLNPIEVN

General information: TITO was launched using: RESULT: Template: 5KDS.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 : 979 84734 86.55 423.67 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : 86.55 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.199

(partial model without unconserved sides chains): PDB file : Tito_5KDS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KDS-query.scw PDB file : Tito_Scwrl_5KDS.pdb: