Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----MTRSVHDALASH---PVETTVHRRLHDVRPHEVFEVTYDGQRVVCKVAQHPLGDPELEARILQFVAAETPVPVPPIMAVGSDHFVAGWCR---------DLPADPTVDETRSRAMGAGLARLHESASERFDAPGHLEAENGSLALDADDRWSDTLVAFLDERRRFLEPRGYGD-VATEVLGLVEAFPEAFD----DVGDPTLLHGNALPDHVGIDRSADPARVTRVIDFEHALVGPPAFDLLRSIGPTYGPPGATHDPDGRAAFLEGYATVRPLPADLEETFRPLGVVNGVAYLRALHLQRGDRDAPQSVARRARGLAEHVLEAASEVRSALRSE 3I1A Chain:A ((3-330)) KQPIQAQQLIELLKVHYGIDIHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGYHDEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEES----IYIIDWDEPMLAPKERDLMFIGG---GVGNVWNKPHEIQYFYEGYGEIN-VDKTILSYYRHERIVEDIAVYGQDLLSRNQN---NQSRLESFKYFKEMFDPNNVVEIAFATE

General information: TITO was launched using: RESULT: Template: 3I1A.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 : 1368 48779 35.66 158.89 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 35.66 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.369

(partial model without unconserved sides chains): PDB file : Tito_3I1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3i1a-query.scw PDB file : Tito_Scwrl_3I1A.pdb: