Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVKSPDLPVLPGSDQVAPASAIWSSETWRWEAVRWMDT-ALARRGLERVPTTPLQPRVRPWSTVLVAETTDQGRVWF-KATSPEMSPEAAI-LRALRSVTPDAV-PVVWADDPERG--WLL-MPDQGPVLRDVQ-RD-DDAVSLMSSVV-RRYARL-QRSSTRVVDQLRDAGVPDMSPRESARRWQRLGLKPDTTREVR-RAA-QRLDAV-----GLPLTIQHDDLHAGNV-FADGTSAGAHDARIFDWGDASVGNP-LCSLLVP-LERIGEGLDDDAARAARERI-LRAYLSVWSDVVSSTALSAAVDDALLIARV-GRVFTWQRAL-TRASADERHAWGVHGRRLIAEI-NR-SLGHAPEPSHD 3DXP Chain:A ((20-359)) ----------------------------RFDTEALEAWMRQHVEGFAGPLSVEQFKGQSNPTFKLVTP----GQTYVMRAKPGAIEREYRVMDALAGTDVPVAKMYALCEDESVIGRAFYIMEFVSGRVLWDQSLPGMSPAERTAIYDEMNRVIAAMHTVDYQAIG-LGDYGKPGNYFQRQIERWTKQYKLSETESIPAMDSLMDWLPQHIPQEDADLTSIVHGDYRLDNLMFHPTEPRVLA---VLDWELSTLGHPMGDFGYHCMSWHIAPGQFRGIAGLDHAALGIPDEASYRKLYEQRTGRPITGDWNFYLAFSMFRIAGILQGIMKRVVDGTASSAQALDAGKRARPMAEMGWEYAKKAKQ-

General information: TITO was launched using: RESULT: Template: 3DXP.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 : 1359 32288 23.76 106.56 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 23.76 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.241

(partial model without unconserved sides chains): PDB file : Tito_3DXP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3dxp-query.scw PDB file : Tito_Scwrl_3DXP.pdb: