Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLRLDRLHYCILMSMGCISSPLVWAEDLNSDVAKLPTLHVEATRTDTGYLQTPASVFRIEAPQVDSSSQVNLTEVVKGIPSLQIRNRENYAQDLQLSMRGFGARSTFGVRGIRLYVDGIPATMPDGQGQTSNIDLSSLDHVEVLTGPFSSLYG-NSSGGTILTSTKEGQGKDSIELSYSGGSHDKSRAGLVLQGGAKGANEPSYIISSSYFDTDGYREHSGAEKVLNNAKLSWNLDDGSKINWVTNYVKINA-DDPGGLTRADWQ-NNPK-QVVQNVLDY---NARKEIEQTQTGLTWSKPINDQHELYAMTYMGQRQVTQYQSIP-D-----T-VQK------NPN--TPY--QAGGVIDFKRNYYGADFRWTGKEL-LPN-TTLSIGVALDAMKEDRQGYQNFNDT-G----------DKG--VKG-ALRRDEDNTLWNIDPYVQASWQFLPTWRLDTGVRYSNVHYKSKDYYIVGLNGDNSGKTSYEEVLPSVALSWQITPEVLAYASYAKGFETPTFTEMAYPAQGGASTLDLKPSTSDTYETGLKSQ-NQ-LGDFTLAVFQTKTKNDIVSAESFGGRSTFRNADKTLREGVEFAWNKKLWRDLIAIASYTYLDATFDSTVPAAGKISEIPEGNAIPGIAKNQAYVSLAWQPSH----GLYGGVDVQYMDKVYVNDTNSDAAPSYSVTSANVGYAWVM-GDWKVNSFARVDNLFDRNYAGSVIVNDSTQPVGRYFEPADGRNWSAGLRVIKQF 4CU4 Chain:A ((5-706)) -------------------------------PAATIAARQSATGTKTDTPIQKVPQSISVVTAEEMALHQPKSVKEALSYTPGVSVGTRGASNTYDHLIIRGFAAEG----QSQNNYLNGLKLQGNF--YNDAVIDPYMLERAEIMRGPVSVLYGKSSPGGLLNMVSKRPTTEPLKEVQFKAGTDSLFQTGFDFSDSLDDDGVYSYRLTGLARSANAQQKGSEEQRYAIAPAFTWRPDDKTNFTFLSYFQNEPETGYYGWLPKEGTVEPLPNGKRLPTDFNEGAKNNTYSRNEKMVGYSFDHEFNDTFTVRQNLRFAENKTSQNSVYGYGVCSDPANAYSKQCAALAPADKGHYLARKYVVDDEKLQNFSVDTQLQSKFATGDIDHTLLTGVDFMRMRNDINAWFGYDDSVPLLNLYNNTDFDFNAKDPANSGPYRILNKQKQTGVYVQDQAQW-DKVLVTLGGRYDWADQESLNRVA-----GTTDKRDDKQFTWRGGVNYLFDNGVTPYFSYSESFEPSSQVGK-------DGNI-FAPSKGKQYEVGVKYVPEDRPIVVTGAVYNLTKTNNLMADPE--GSFFSVEGGEIRARGVEIEAKAALSASVNVVGSYTYTDAEYTTDT--------TYKGNTPAQVPKHMASLWADYTFFDGPLSGLTLGTGGRYTGSSYGDPANSFKVGSYTVVDALVRYDLARVGMAGSNVALHVNNLFDREYVASCFNT-------YGCFWGAERQVVATATFRF--

General information: TITO was launched using: RESULT: Template: 4CU4.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 : 3999 136607 34.16 212.78 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 34.16 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.129

(partial model without unconserved sides chains): PDB file : Tito_4CU4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CU4-query.scw PDB file : Tito_Scwrl_4CU4.pdb: