Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLALFDLDHTLLNTDSDHSWGEFLVNEG-LVDP--VHHRQMNDKFY-----------EDYKAGQLDPYAYNEFVFGFLTKHDNNYLTELHQLFMEKVI------------------RPKMRPKGFDAIKKHQDLGHTIVGITATSDFITAPIFR--EFGIT----EILATNAEVADGKYTGKVA--------------------------GLACYQKGKLARLEAWLDGRSVSESWAYSDSI-NDRFLLEY--A--THAIAVNPDDRLEKLAQEHNWEIQDWSI 4AS2 Chain:D ((26-293)) -AYAVFDMDNTSYRYDLEESLLPYLEMKGVLTRDRLDPS-LKLIPFKDQAGHKESLFSYYYRLCEIDDMVCYPWVAQVFSGFTLRELKGYVDELMAYGKPIPATYYDGDKLATLDVEPPRVFSGQRELYNKLMENGIEVYVISAAHEELVRMVAADPRYGYNAKPENVIGVTTLLK-NRKTGELTTARKQIAEGKYDPKANLDLEVTPYLWTPATWMAGKQAAILTYIDR-WKRPILVAGDTPDSDGYMLFNGTAENGVHLWVNRKAKYMEQ-------------

General information: TITO was launched using: RESULT: Template: 4AS2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 914 12750 13.95 64.07 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain D : 0.65 3D Compatibility (PKB) : 13.95 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.339

(partial model without unconserved sides chains): PDB file : Tito_4AS2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AS2-query.scw PDB file : Tito_Scwrl_4AS2.pdb: