Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKILIAEHYEELCKLSAAIIKEQIQAKKDA-----VLGLATGSTPVGLYKQLISDYQAGEIDFSKVTTFNLDEYAGLSPSHPQSYNHFMHEHLFQHINMQPDHIHIPQGDNPQLEAACKVYEDLIRQAGGIDVQILGIGANGHIGFNEPGSDFEDRTRVVKLSESTIQANARFFGGDPVLVPRLAISMGIKTIMEFSKHIVLLASGEEKADAIQKMAEGPVTTDVPASILQKHNHVTVIADYKAAQKLKSASFS 2WU1 Chain:B ((1-248)) MRLIPLTTAEQVGKWAARHIVNRINAFKPTADRPFVLGLPTGGTPMTTYKALVEMHKAGQVSFKHVVTFNMDEYVGLPKEHPESYYSFMHRNFFDHVDIPAENINLLNGNAPDIDAECRQYEEKIRSYGKIHLFMGGVGNDGHIAFNEPASSLASRTRIKTLTHDTRVANSRFFDNDVNQVPKYALTVGVGTLLD-AEEVMILVLGSQKALALQAAVEGCVNHMWTISCLQLHPKAIMVCDEPSTMELK-----

General information: TITO was launched using: RESULT: Template: 2WU1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1341 -155743 -116.14 -640.92 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -116.14 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.630

(partial model without unconserved sides chains): PDB file : Tito_2WU1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WU1-query.scw PDB file : Tito_Scwrl_2WU1.pdb: