Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALSLEEFVYSLDLRTLPRVLEIQSGIYFEGSVYEMFGNECCLSTGEVIKITGLKIKKMMAEICEGAIGGCESQKPFELPMNFPGLFKVMADKTPYLSIEEITRTVNIGPSRLGHPCFYHLKDIKLENLIIKQGEPIRFNSVEEINGETLVNCGVVRNHQSHSFTLPLSQEGEFYECEDEHIYTLKEIVEWKIPKNRTRTVKLTDFSNKWDSTNPFPEDFYGTLILKPVYE---IQGVLKFQKDIVRILPSLDVEVKDITDSYDANWFLQLLSTDDLFEMTSKEFPVVAEVVEISQGNHLPQSILQREKTIVIHKKYQASRILASEIRSNFPKRHFLIPISYKGKFKRR-PREFPTAYDLQIAKSRKETLHVVATKAFHTLHKELSPVSVGDQFLVHHSETTE-----VVFEGTRKVNV-LTCEKVLNKTREDAQLPLYMEGGFVEVIHDKKQYQISELCTQFCWPFNVKVAVRDLSIKDDILAATP--GLQLEEDITDSYLLISDFANPEECWEIPMSRL-NMTVRLVNGSSLPADAGLLQVRSFVEEITEEQYYMMRRY-----ESSLSHPPPRPPKHPSAEEMKLTLLSLAEERTINLPKSLKSHHVDRPKKLPSDESGQDSRAPVGFQNDVADVERQKSKHGPLQPQAPL 4OPU Chain:A ((2-453)) ----MKELKYD--------VLIIGGGFAGSSAAYQLSRR------GLKILLVD---SKPWNRIGDKPCGDAVSKAHFDKL------------GMPYPKGEELENKIN---------------GIKLYSPDMQT--------------------VWTVNHEGFELNAPLYNQRVLKEAQDRGV-----------------------------------EIWDLTTAMKPIFEDGYVKGAVLFNRR------------------------------------TNEELTVYSKVVVEATG--------------------------------------------YSRSFRSKLPPELPITEDLDDKDADVAYREVLLTKEDIEDHDYLRIFI--------DQETSPGGYWWYFPKGKNKVNVGLGIQGGMGYPSIHEYYKKYLDKYAPDVDKSKLLVKGGALVPTR-RPLYTMAWNGIIVIGDSGFTVNPVHGGGKGSAMISGYCAAKAILSAFETGDFSASGLWDMNICYVNEY-GAKQASLDIFRRFLQKLSNDDINYGMKKKIIKEEDLLEASEKGDLHLSVADKAMRVISGLGRPSLLFKLKAV-AESMKKIKELYLNYP-RSPSSLGSWRREVDNVLTEFNKSLS-------

General information: TITO was launched using: RESULT: Template: 4OPU.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 : 2625 75123 28.62 173.09 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 28.62 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.100

(partial model without unconserved sides chains): PDB file : Tito_4OPU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OPU-query.scw PDB file : Tito_Scwrl_4OPU.pdb: