Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------MISLESLEENFRFLTLEVANQARATRDIL------GKPEKELVERLIARDDYIDNLKTIIENKCFSRIHAEEGAEQSESNRIRAIHIICVNLERIAD---HCVNIVRQIKHFSDPTF-LHRYEFHSMFNLIQS-GLDMILPVQRSQKVAQALTICKIEHELDNQYKERFDQIQDEMRAQHNADVGDLITALFIFRYLERIGDALLNVGEAFIFAFLGEKIKIHQFQALQETLSQAGYEGSLSEIDFESIWGGRSGCRIRRVKNTNPDPSKEVIFKEGQKEKIQQERDNIDRWSDLFPGIAPHVVGYNEGGNYASMLVEFLPGCTLDEVVLTTEPEQVRNALFVFEQT---------LVDVWEDTID---PQDHPSPGFIKQLSGRLDKIQQVHPGILTPHKRIGRITIPSLRKRLEQGTALEQAVQAPFTVLLHGDCNLNNVVYDFEEQRIRFIDLYRSRQADYIQDVSVFLVSNFRMPIFEP----SLRARLNWTIRHFYHFARGFAAKHGDTTFSFR--LALGLCRSFLTSTRFELDTEFAYEMAERGGYLLDRLLEHGSKHQEEFTFPEAVLYY-------------------------- 4XDN Chain:A ((24-640)) GDKLSISQVYHLAQEYRDHAYSIANKIGSEEGLKQYYGLMNMSIQMFQLLKTKCTLSVLEDSKVTFEMVELLIQETYNFDLAELYIS-SLKERLQTHQSDTDLVEEIMRCEFLLLHDLPLMRDSKFHYKIALRNCNELVQYMVNLQDELYQNWASVFQYVGVMLCIKLKQHRRVKTSFHGLLSQCREKSQWKWFLNLCYVNYLLNERFPIP--EDALQELRSTE-----LHTVGPELYAWKLALEMVIQLCKDGNITDHLNEFKNFFDTNKQSLVTNEGKGCVIKIMPRIALKVELPMIFH----------YKELKNILLLLQSVSYIVNCYDEKGNFSRKFLPKVYSTTQKLIKNIAAGGVSMNELDSRIQTYKSILEFCEFYKVWEQTLLKGAVVLGPSPGYVRLLQAMKVQFE--GGGAVEEYTRLAQSGGTS--SEVKMISLLNCYTVQAARVSRCSGDKQGELVEQCNKVWLQVEKLLQETDLQFNPIWECTVTILWLFSHFEPFSWNPLPCSDKQRAEYVSKLREFYSSNKFVNRFKLKKALLLQILVNYLGGRMLEHDLGEIYAISAK---CFDMCRQQGGMRKVQYVIGIWHLMNCTVAMRGKDVALTNAKLEALVKQITS

General information: TITO was launched using: RESULT: Template: 4XDN.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 : 2162 17797 8.23 34.03 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 8.23 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.228

(partial model without unconserved sides chains): PDB file : Tito_4XDN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4xdn-query.scw PDB file : Tito_Scwrl_4XDN.pdb: