Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLVPRFRKQWFAYLTVLCLALAAAVSFGVPAKAAENPQTSVSNTGKEADATKNQTSKADQVSAPYEGTGKTSKSLYGGQTELEKNIQTLQPSSIIGTDERTRISSTTSFPYRATVQLSIKYPNTSSTYGCTGFLVNPNTVVTAGHCVYSQDHGWASTITAAPGRNGSS----YPYGTYSGTMFYSVKGWTESKDTNYDYGAIKLNGSP--GNTVGWYGYRTTNSSSPVGLSSSVTGFPCDKTFGT----MW----------SDTKPIR-----SAETYKL-TYTTDTYGCQSGSPVYRNYSDTGQTAIAIHTNGGSSYNLGTRVTNDVFNNI---QYWANQ 3W94 Chain:A ((803-1024)) ----------------------------------------------------------------------------------------------------------KGAWPWM--VSLHWR-----GRHGCGASLIGRDWLLTAAHCVYGKNT-HLQYWSAVLGLHAQSSMNSQEVQIRQVDRIIINKNYNRR-TKEADIAMMHLQQPVNFTEWVLPVCLASEDQHFPAGRRCFIAGWGRDAEGGSLPDILQEAEVPLVDQDECQRLL-EYTFTSSMLCAGPE---DSCQGDSGGPLMCLED-ARWTLIGVTSFG---VGCGRPERPGAYARVSAFTSWIAE

General information: TITO was launched using: RESULT: Template: 3W94.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 : 1040 -112787 -108.45 -593.62 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -108.45 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.321

(partial model without unconserved sides chains): PDB file : Tito_3W94.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W94-query.scw PDB file : Tito_Scwrl_3W94.pdb: