Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSELKQDQYWMQQAIELAKRGLYSTKPNPNVGCVIVKDNQVIGEGFHPR----AGQPHAEVFALRQAGEQ-----AQGATAYVTLEPCAHYGRTPPCAEALVKAQVKKVVVACPDPNPLVAGKGVQILKNAGI----EVEIGICEDLAAQLNQGFLKAMSSGMPYVRLKVASSLDGRTAMASGESKWITGSAARQDVQHWRAISGAVITGIETVIADDCQLNVRPLHNVDIETVAQPKRVILDRRGRLPLTAKILENPETVMVMGPYRQELADLGVIQLEIQPLKTLLQTLSKQYQIYDVLIEAGATLSSAFLQEGLIDEMISYVAPTLLGQSARAMFNADFEYMAQQLRFKLLDVTQLDQDIRLRLIPTQEKV 2B3J Chain:C ((4-155)) ---MTNDIYFMTLAIEEAKKAAQ--LGEVPIGAIITKDDEVIARAHNLRETLQQPTAHAEHIAIERAAKVLGSWRLEGCTLYVTLEPC------VMCAGTIVMSRIPRVVYGADDPKGGCSGSLMNLLQQSNFNHRAIVDKGVLKEACSTLLTTFFKNLRANK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2B3J.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 782 -46010 -58.84 -331.00 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain C : 0.61 3D Compatibility (PKB) : -58.84 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.704

(partial model without unconserved sides chains): PDB file : Tito_2B3J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2B3J-query.scw PDB file : Tito_Scwrl_2B3J.pdb: