Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPKVHLMVRFVQVVTVLFVLLGCFVIFLYSPFYSKLIVAGLNYFVPVDVNEVAAESQRKAALSEHDNLEPGSNLWIARQAYLKLTEDALRENKTADLGYIQENYKALQQIILLEEKEQELQEEKETTAVGVPLVAKNSEIDAADEASSPIDAALSISSSENKALTEQYTEFLARKPVVPEHQKAASEPEQKVEYVRKNPLPAQ--PKKLSEPYAIVVLGGGLTLDKNGKDIVVNSYTRLRLEKTLEVEKKNHLPIVLSGV---------------------------EAPYMQAWLKA-RGVDAK--LLEKRSMNTCENTRFSSLLLQKKG-GAPTVMLVTDEYHMPRTRRLFALNGIE-TIPVTAPMPTPLTRWQPSTQNYDHSRRANYELLATIRDMLFGSSDCREVP 3CA8 Chain:B ((12-203)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ATIDAINVIGQWLAQDDFSGEVPYQADCVILAGNAVM---------------PTIDAACKIARDQQIPLLISGGIGHSTTFLYSAIAQHPHYNTIRTTGRAEATILADIAHQFWHIPHEKIWIEDQSTNCGENARFSIALLNQAVERVHTAIVVQDPTMQRRTMATFRRMTGDNPDA-PRWL--SYPGFVPQLGNNADSVIFINQLQGLW--------------

General information: TITO was launched using: RESULT: Template: 3CA8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 750 18354 24.47 116.16 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : 24.47 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.314

(partial model without unconserved sides chains): PDB file : Tito_3CA8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CA8-query.scw PDB file : Tito_Scwrl_3CA8.pdb: