Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRNHICNIGGKNVGKPIISFDQVVKRYDDETVLKKVSFEIEQGKFYTLLGPSGCGKTTILRIIAGFTEATEGDIYFEGKRLNDLPANKRQVNTVFQDYALFPHMNVFDNVAFGLKIKKMSKSDIEKKVKDALRMVQLPGYEKREISEMSGGQRQRVAIARAIVNEPKVLLLDEPLSALDLKLRTDMQYELRDLQQRLGITFIFVTHDQEEALAMSDEIFVMNKGKIVQSGTPVDIYDEPINHFVADFVGESNIVDGVMIEDNLVEFVGKQFECVDGGMRLNEPVEVVLRPEDLTITTPDKGKLVVTVDTQLFRGVHYEIICYDEQQNEWMVHSTKKAKEGSKVGLAFEPEDIHVMRFNESEEEFDARLDSYEE 3PUV Chain:A ((4-239)) ------------------VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSPKM------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PUV.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 : 1161 -163948 -141.21 -694.69 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -141.21 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.587

(partial model without unconserved sides chains): PDB file : Tito_3PUV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PUV-query.scw PDB file : Tito_Scwrl_3PUV.pdb: