Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALNKPKIVILGAGYGGLMTVTRLTKYVGPNDADITLVNKHNYHYETTWMHEASAGTLHHDRCRYQIKDVINQSRVNFVQDTVKAIKIDEKKVVLANGELQYDYLVIGLGAVPETFGIKGLKEYAFPIANINTSRLLREHIELQFATYNTEAEKRPDRLTIVVGGAGFTGIEFLGELAARVPELCKEYDVDRSLVRIICVEAAPTVLPGFDPELVDYAVHYLEENGVEFKIGTAVQECTPEGVRVGKKDEEPEQIKSQTVVWAAGVRGHPIVEEAGFENMRGRVKVNPDLRAPGHDNVFILGDSSLFMNEDTERPYPPTAQIAMQQGITVAKNLGRLIKGGELEEFKPDIKGTVASLGEHNAVGVVYGRKLKGTPASFMKKVIDNRSLFMIGGLGLTLKKGKFKFF 4NWZ Chain:C ((3-396)) ----KPSIVILGAGYGGIVAALGLQKRLNYNEADITLVNKNDYHYITTELHQPAAGTMHHDQARVGIKELIDEKKIKFVKDTVVAIDREQQKVTLQNGELHYDYLVVGLGSEPETFGIEGLREHAFSINSINSVRIIRQHIEYQFAKFAAEPE-RTDYLTIVVGGAGFTGIEFVGELADRMPELCAEYDVDPKLVRIINVEAAPTVLPGFDPALVNYAMDVLGGKGVEFKIGTPIKRCTPEGVVI-EVDGEEEEIKAATVVWTGGVRGNSIVEKSGFETMRGRIKVDPYLRAPGHENIFIVGDCALIINEENNRPYPPTAQIAIQHGENVAANLAALIRGGSMTPFKPHIRGTVASLGRNDAIGIVGGRKVYGHAASWLKKLIDMRYLYLIGGLSLVLKK------

General information: TITO was launched using: RESULT: Template: 4NWZ.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 : 2224 -307077 -138.07 -779.38 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain C : 0.90 3D Compatibility (PKB) : -138.07 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.558

(partial model without unconserved sides chains): PDB file : Tito_4NWZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NWZ-query.scw PDB file : Tito_Scwrl_4NWZ.pdb: