Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------MENIIEINYNQTGKSKKTNEYGMREMQARAFEKRNSQYLLVKAPPASGKSRA---LMFIGLDKLINQGLRKVIVAVPERSIGSSFKNTDLKSYGFFENWKVDPRNNLTVGGDNSKVKSFVRF----MESDDQVLICTHSTLRFAFEKIDDKAFDNCLLAIDEFHH-----VSADVNSRLGELLRSIIHNSSAHIVAMTGSYFRGDSVPILLPEDEELFDKV----TYSYYEQLDGYEYLKGFGIGYHFYQGQYTSAINEVLDTN---KKTIVHIPNVNSGESTKDK--YDEVGKILDMIGEVEYQDDDTGIIYVKRHSDGKTLKIADLVDDQVGRENVVAYLRNIEALDDLDIIIALGMAKEGF-DWPFCEHTLTVGYRGSLTEIVQIIGRCTRDSYNKTYAQ-FTNLIAMPDAKDEVVTYTVNTMLKAISASL-LMEQVLTPDFKFKRRRNESEKSSTTGELFVKGLKEPSTENVKKIIENDINDLKAKIMQDSQVQKTFSGEVDPKVLNKVLIPKVIQKVYPNLSDEEIEEVRQHVVLDTVMKGAKSEVVGSKEFIRMADKFINIEDLDINLIDSINPFQKAFEVLSKELNS--PVLKLIQETIDAKRINFDEDELVFIWPKV 4XGC Chain:C ((1-676)) MQPFYEEYRKAWNQINDHIADLQHRSYARTLEQLVDFVVGQAERDEVLPTAALLTGINQPDHLSQFTALTQRLHAQRAAMVCVLQSRDCATLKAAVETLVFGLVEDNAEVEQLRRSQC-TMKQLKSWYTNNFDSEQKRRQLVVILPD-----FECFNASVLQDLILILSAHCGSLPFVLVLGVATAMTAVHGTLPYHVSSKI---RLRVFQTQAAPTGL---NEVLDKVLLSPKYAFHLSGKTFKFLTHIFLYYDFSIHGFIQGFKYCLMEHFFGGNAFALCTDYSKALGRIKQLTHEDMETIRRLPSFRPYVE----------QINDCKRIIAVLTDDDYLKKKLPQLLRDC-LLHFLLFRCSLEFLTELVGDLPRCP-----------------LGKLRRELYVNCLNRAIISTPEYKECLQMLSFLSKDEFVAKVNRALERTEQFLVEEIA---PLELGEACTAVLRPKLEAIRLAVDE-VGRALQKTLQLIETQIVQD-----HLRALQDAPPIHELFVFSDIATVRRNIIGA--PRAALHTALNNPHFPDLSVVY---KLHLECGRMINLFDWLQAFRSVVPQIQARFTRAVAELQFLGYIKMSKRKTDHATRLTW------------

General information: TITO was launched using: RESULT: Template: 4XGC.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 : 2128 -247254 -116.19 -463.89 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain C : 0.65 3D Compatibility (PKB) : -116.19 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.237

(partial model without unconserved sides chains): PDB file : Tito_4XGC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XGC-query.scw PDB file : Tito_Scwrl_4XGC.pdb: