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 4AS3 Chain:A ((26-293)) -AYAVFDMDNTSYRYDLEESLLPYLEMKGVLTRDRLDPS-LKLIPFKDQAGHKESLFSYYYRLCEIDDMVCYPWVAQVFSGFTLRELKGYVDELMAYGKPIPATYYDGDKLATLDVEPPRVFSGQRELYNKLMENGIEVYVISAAHEELVRMVAADPRYGYNAKPENVIGVTTLLK-NRKTGELTTARKQIAEGKYDPKANLDLEVTPYLWTPATWMAGKQAAILTYIDR-WKRPILVAGDTPDSDGYMLFNGTAENGVHLWVNRKAKYMEQ-------------

General information: TITO was launched using: RESULT: Template: 4AS3.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 : 872 10977 12.59 55.16 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 12.59 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.303

(partial model without unconserved sides chains): PDB file : Tito_4AS3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AS3-query.scw PDB file : Tito_Scwrl_4AS3.pdb: