Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVSNVTVRKRLLFVLLFGVIVFLIIDTRLGYVQFVMGEKLTSLAKDSWSRNLPFEPERGEILDRNGVKLATNKSAPTVFVVPRQVQNPMKTSKQLAAVLNMSEEKVYKHVTKKASIEKITPEGRKISNEKAKEIKALDLKGVYVAEDSIRHYPFGSFLSHVLGFAGIDNQGLLGLEAYYDDDLKGEKGSVKFYTDAKGKKMPDEADDYTPPKDGLDMKLTVDSKVQTIMERELDNAEAKYHPDGMIAVAMNPKNGEILGMSSRPDFDPADYQSVDPSVYNRNLPVWSTYEPGSTFKIITLAAALEEQKVNLKRDQFYD--KGHAEVDGARLRCWKRGGHGLQTYLEVVQNSCNPGFVELGERLGKEKLFKYIKDFGFGQKTGIDLQGEGTGILFPLERVGP-VEQATTAFGQGVSVTPIQQVAAVSAAVNGGTLYTPYIAKEWIDPVTKKTVKKQSPIAKKQVISEETSKQIRYALESVV-AEGTGRNAFVEGYRVGGKTGTAQKVKDGK--YLENNHIVSFIGFAPADDPSLVVYVAVDNPKGTIQFGGTVAAPIVGNIMRDSLPELGVKPRKNQIEKKYQWNDTKTIEVPNVVGMSVSDLESLLVNLNVDASGKGSKIVKQSPAAGTKVKEGSKIRVYLTEEDEKEAAD 4KQR Chain:A ((39-542)) --------------------------------------------------RHIAIPAHRGLITDRNGEPLAVSTPVTTLWANPKELMTAKERWPQLAAALGQDTKLFADRIEQNAEREFIYLV-RGLTPEQGEGVIALKVPGVYSIEEFRRFYPAGEVVAHAVGFTDVDDRGREGIELAFDEWLAGVPGKRQVLKDRRGRVIKD-VQVTKNAKPGKTLALSIDLRLQYLAHRELRNALLENGAKAGSLVIMDVKTGEILAMTNQPTYNPNNRRNLQPAAM-RNRAMIDVFEPGSTVKPFSMSAALASGR--WKPSDIVDVYPGTLQIGRYTIRDVSRNSRQLD-LTGILIKSSNVGISKIAFDIGAESIYSVMQQVGLGQDTGLGFPGERVGNL-PNHRKWPKAETATLAYGYGLSVTAIQLAHAYAALANDGKSVPLSMTR--VDRVPDGV----------QVISPEVASTVQGMLQQVVEAQGGVFRAQVPGYHAAGKSGTARKVSVGTKGYRENAYRSLFAGFAPATDPRIAMVVVIDEPSKAGYFGGLVSAPVFSKVMAGALRLMNVPP-------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4KQR.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 : 2992 -209601 -70.05 -420.89 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -70.05 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.525

(partial model without unconserved sides chains): PDB file : Tito_4KQR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KQR-query.scw PDB file : Tito_Scwrl_4KQR.pdb: