Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFSRKQFALSAIFVAILATGGSFMLLHENADAKAAPTAAQQAATVDVAPVVSKTITDWQEYSGRLEAIDQVDIRPQVSGKLIAVHFKDGSLVKKGDLLFTIDPRPFEAELNRAKAQLASAEAQVTYTASNLSRIQRLIQSNAVSRQELDLAENDARSANANLQAARAAVQSARLNLEYTRITAPVSGRISRAEVTVGNVVSAGNGAQVLTSLVSVSRLYASF-DV-----DEQTYLKYISN---QRNSSQVPVYMGLANETGFTREGTINSIDNNLNTTSGTIRVRATFDNPNGVLLPGLYARIRLGGGQPRPAILISPTAVGVDQDKR---FVVVVDAKNQTAYREVKLGAQQDGLQIVNSGLQAGDRIVVNGLQRIRPGDPVTPHLVPMPNSQITANATPQPQPTDKTSTPAKG 5NG5 Chain:E ((14-353)) -------------------------------------------PAVGVVTVKTEPLQITTELPGRTSAYRIAEVRPQVSGIILKRNFKEGSDIEAGVSLYQIDPATYQATYDSAKGDLAKAQAAANIAQLTVNRYQKLLGTQYISKQEYDQALADAQQANAAVTAAKAAVETARINLAYTKVTSPISGRIGKSNVTEGALVQNGQA----TALATVQQLDPIYVDVTQSSNDMMRLKQELANGTLKQENGKAKVSLITSDGIKFPQDGTLEFSDVTVDQTTGSITLRAIFPNPDHTMMPGMFVRARLEEGLNPNAILVPQQ--GVTRTPRGDATVLVVGADDKVETRPIVASQAIGDKWLVTEGLKAGDRVVISGLQKVRPGVQVKAQE----------------------------

General information: TITO was launched using: RESULT: Template: 5NG5.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1387 -10102 -7.28 -30.80 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain E : 0.74 3D Compatibility (PKB) : -7.28 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.490

(partial model without unconserved sides chains): PDB file : Tito_5NG5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5NG5-query.scw PDB file : Tito_Scwrl_5NG5.pdb: