Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------MSMLALISPAKTLDYETALPTDEFTQPRLLEHSAQLIDVCRKLSASEIASL-MSVSEKIATL--------NADRFRDWKPEFDFSNARQAIYAFKGDVYTGLDAYHLKDKDIDFAQQHLRMLSGLYGL--LRPLDLMMPYRLEMGTKLKNTHGHNLYEFW--GDIITNQINEDLAAIKSELLVNLASDEY---YKSVNEKKIKAEIVKPVFLD----------QKNGKYKVISFYAKK------------ARGLMARFIVENQLNKVE----DIKAFNTEGY--YFDADNSSAKELVFKRDEQ 4INO Chain:A ((34-335)) QEVKVKDYFGEQTIKLPVSKIIYLGSFAE----VPAMFHTWDRVVGISDYAFKSDIVKATLKDPERIKPMSSDHAAALNVELLKKLSPDLVVTFVGNPKAVEHAKKF-GISFLSFQEKTIAEVMEDIDTQAKALEVDASKKLAKMQETLDFIAERLKGVKKKKGVELFHKANKISGHQALDSDILEKGGIDNFGLKYVKFGRADISVEKIVKENPEIIFIWWISPLSPEDVLNNPKFATIKAIKNKQVYKLPTMDIGGPRAPLISLFIALKAHPEAFKGVDINAIVKDYYKVVFDLNDAEVEPFLWH----

General information: TITO was launched using: RESULT: Template: 4INO.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 : 1206 45042 37.35 180.17 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 37.35 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.327

(partial model without unconserved sides chains): PDB file : Tito_4INO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4INO-query.scw PDB file : Tito_Scwrl_4INO.pdb: