Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKHLTSAEVRQMFLDFFKEKGHAVEPSASLVPHEDPSLLWINSGVATLKKYFDGRVVPE-----NPRIVNAQKAIRT-NDIENVGKTARHHTFFEMLGNFSIGDYFKEEAITWAWEFLTSDKWIGFDKELLSVTVHPED--------EEAYEFWAKKIGIPEERIIRL--EGNFWDIG-EGPSGPNTEIFYDRGEAYGNDPEDPELYPGGENDRYLEVWNLVFSEFNHNPDGTYTPLPKKNIDTGMGLERMVSVIQNVPTNFDTDLFVPIIKATESISGET-YGK------DNVKDTAFKVIADHIRTVAFAVSDGALPSNEGRGYVLRRLLRRAVRYAK-TINIHRPFMFDLVPVVAEIMADFYPEVKEKADFIAKVIKTEEERFHETLNEGLAILSEMIKKEKDKGSSVISGADVFKLYDTYGFPVELTEEYAEDENMTVDHEGFEEEMNQQRERARNARQDVGSMQVQGGALRDVTVESTFVGYSQTKADANIIVLLQDGQLIEEAHEGESVQIILDETPFYAESGGQIGDKGYLRSEQAVVRIKDVQKAPNGQHVHEGVVESGTVQKGLHVTAEVEDHMRSGVIKNHTATHLLHQALKDVLGTHVNQAGSLVTENRLRFDFSHFGQVTKEELEQIERIVNEKIWASIPVSIDLKPIAEAKEMGAMALFGEKYGDIVRVVQVGDYSLELCGGCHVRNTAEIGLFKIVSESGIGAGTRRIEAVTGQGAYVEMNSQISVLKQTADELKTNIKEVPKRVAALQAELKDAQRENESLLAKLGNVEAGAILSKVKEVDGVNVLAAKVNAKDMNHLRTMVDELKAKLGSAVIVLGAVQNDKVNISAGVTKDLIEKGLHAGKLVKQAAEVCGGGGGGRPDMAQAGGKQPEKLEEALASVEDWVKSVL 4XEM Chain:A ((24-404)) --TLTASEIRQRFIDFFKRNEHTYVHSSATIPLDDPTLLFANAGMNQFKPIFLNTIDPSHPMAKLSRAANTQKCIRAG-DLDDVGKDVYHHTFFEMLGSWSFGDYFKELACKMALELLT--QEFGIPIERLYVTYFGGDEAAGLEADLECKQIWQN-LGLDDTKILPGNMKDNFWEMGDTGPCGPCSEIHYDRIGGRDA-----AHLVNQDDPNVLEIWNLVFIQYNREADGILKPLPKKSIDTGMGLERLVSVLQNKMSNYDTDLFVPYFEAIQKGTGARPYTGKVGAEDADGIDMAYRVLADHARTITVALADGGRPDNTGRGYVLRRILRRAVRYAHEKLNASRGFFATLVDVVVQSLGDAFPELKKDPDMVKDIINEEEVQFLK-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4XEM.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 : 1934 33173 17.15 94.24 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 17.15 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.518

(partial model without unconserved sides chains): PDB file : Tito_4XEM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XEM-query.scw PDB file : Tito_Scwrl_4XEM.pdb: