Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKRETFNETFLKAARGEKADHTPVWYMRQAGRSQPEYRKLKEKYGLFEITHQPELCAYVTRLPVEQYGVDAAILYKDIMTPLPSIGVDVEIKNGIGPVIDQPIRSLADIEKLGQIDPE---QDVPYVLETIKLLVNEQL--NVPLIGFSGAPFTLASYMIEGGPSKNYNKTKAFMYSMPDAWNLLMSKLADMIIVYVKAQIEAGAKAIQIFDSWVGALNQADYRT----YIKPVMNRIFSELAKEN---VPLIMFGVGASHLAGDWHDLPLDVVGLDWRLGIDEAR-SKGITKTVQGNLDPSILLAPWEVIEQKTKEILDQGMESDGFIFNLGHGVFPDVSPEVLKKLTAFVHEYSQNKKMGQYS 3GW3 Chain:A ((13-362)) ----ELKNDTFLRAAWGEETDYTPVWCMRQAGRYLPEFRETRAAQDFFSTCRSPEACCELTLQPLRRFPLDAAIIFSDILVVPQALGMEVTMVPGKGPSFPEPLREEQDLERLR--DPEVVASELGYVFQAIT-LTRQRLAGRVPLIGFAGAPWTLMTYMVEGGGSSTMAQAKRWLYQRPQASHQLLRILTDALVPYLVGQVVAGAQALQLFESHAGHLGPQLFNKFALPYIRDVAKQVKARLREAGLAPVPMIIFAKDGHFALEELAQAGYEVVGLDWTVAPKKARECVGNTVTLQGNLDPCALYASEEEIGQLVKQMLDD-FGPHRYIANLGHGLYPDMDPEHVGAFVDAVHKHSR--------

General information: TITO was launched using: RESULT: Template: 3GW3.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 : 1894 -244122 -128.89 -724.40 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -128.89 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.597

(partial model without unconserved sides chains): PDB file : Tito_3GW3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GW3-query.scw PDB file : Tito_Scwrl_3GW3.pdb: