Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKSFSIVIAGGGSTFTPGIVLMLLDHLEEFPIRKLKLYDNDKERQDRIAGACDVFIREKAPDIEFAATTDPEEAFTDVDFVMAHIRVGKYAMRALDEQIPLKYGVVGQETCGPGGIAYGMRSIGGVLEILDYMEKYSPDAWMLNYSNPAAIVAEATRRLR--PNSKILNI-CDM-PVGIEDRMAQILGLSSRKEMKVRYYGLNHFGWW---TSIQDQEGNDLMPKLKEHVSQYGYIPKTEAEAVEASWNDTFAKARDVQAADPDTLPNTYLQYYLFPDDMVKKSNPNHTRANEVMEGREAFIFSQCDMITREQSSENSEIKIDDHASYIVDLARAIAYNTGERMLLIVENNGAIANFDPTAMVEVPCIVGSNGPEPITVGTIPQFQKGLMEQQVSVEKLTVEAWAEKSFQKLWQALILSKTVPNARVARLILEDLVEANKDFWPELDQSPTRIS 3VPG Chain:A ((1-296)) -----MKVGIVGSGMV-GSATAYALALLG-V--AREVVLVDLDRKLAQA---HAEDILHATPFAHPVWVRAGSYGDLEGARAVVLAAGVAQRPGETRLQ--------------------LLDRNAQVFAQVVPRVLEAAPEAVLLVATNPVDVMTQVAYRLSALPPGRVVGSGTILDTARFRALLAEHLRVA-PQSVHAYVLGEHGDSEVLVWSSAQV-GGVPLLEFAEARG--------------------------------R-ALSPEDRARI------DEG---VRRAAYRIIEG------------------K-GA-TYYGIGAGLARLVRAILTDEKGVYTVSAFTPE-VEGVL-EVSLSLPRILGAGGVEGTVYPSLSPEEREALRR--------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3VPG.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 : 1553 -183754 -118.32 -635.83 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -118.32 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.441

(partial model without unconserved sides chains): PDB file : Tito_3VPG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VPG-query.scw PDB file : Tito_Scwrl_3VPG.pdb: