Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKHLTSAEVRQMFLDFFKEKGHAVEPSASLVPHEDPSLLWINSGVATLKKYFDG-RVVPENPRIVNAQKAIRTNDIENVGKTARHHTFFEMLGNFSIGD-----YFKEEAITWAWEFLTSDKWIGFDKELLSVTVHPEDEEAYEFWAKKIGIPEERIIRLEGNFWDIGEGPSGPNTEIFYDRGEAYGNDPEDPELYPGGENDRYLEVWNLVFSEFNHNPDG-------TYTPLPKKNIDTGMGLERMVSVIQNVPTNFDTDLFVPIIKATESISGETYGKD-----------------------------------------------NVKDTAFKVIADHIRTVAFAVSDGALPSNEGRGYVLRRLLRRAVRYAKTINIHRPFMFDLVPVVAEIMADFYPEVKEKADFIAKVIKTEEERFHETLNEGLAILSEMIKKEKDKGSSVISGADVFKLYDTYGFPVELTEEYAEDENMTVDHEG--FEEEMNQQRERARNARQDVGSMQVQGGALRDV-TVESTFVGYSQT---KADANIIVLLQDGQLIEEAHEGESVQIILDETPFYAESGGQIGDKGYLRSEQAVVRIKDVQKAPNGQHVHEGVVESGTVQKGLHVTAEVEDHMRSGVIKNHTATHLLHQALKDVLGTHVNQAGSLVTENRLRFDFSHFGQVTKEELEQIERIVNEKIWASIPVSIDLKPIAEAKEM-GAMALFGEKYG-DIVRVVQVGDYSLELCGGCHVRNTAEIGLFKIVSESGIGAGTRRIEAVTGQGAYVEMNSQISVLKQTADE-LKTNIKEVPKRVAALQAELKDAQRENESLLAKLGNVEAGAILSKVKEVDGVNVLAAKVNAKDMNHLRTMVDELKAKLGSAVIVLGAVQNDKVNISAGVTKDLIEKGLHAGKLVKQAAEVCGGGGGGRPDMAQAGGKQPEKLEEALASVEDWVKSVL 3WQY Chain:A ((58-903)) -KPFELDEMREYYLNFFERRGHGRIERYPVVARWRTDIYLTIASIADFQPFVTSGVAPPPANPLTISQPCIRLDDLDSVGRTGRHLTLFEMMAHHAFNYPGKEIYWKNETVAYCTELLN---ELGVKKEDIV----------------Y-----------KEEPWAGG-GNAGPCLEAIVG----------------------GLEVATLVFMNLEEHPEGDIEIKGARYRKMDNYIVDTGYGLERFVWASKGTPTVYDA-IFPEVVDTIIDNSNVSFNREDERVRRIVAESSKLAGIMGELRGERLNQLRKSVADTVGVSVEELEGIVVPLEKVYSLADHTRCILFMLGDGLVPSNAGAGYLARLMIRRSLRLAEELELGL-DLYDLVEMHKKILGFEFDV---PLSTVQEILELEKERYRTTVSKGTRLVERLVER-----KKKLEKDDLIELYDSHGIPVELAVGIAAEKGAEVEMPKDIYAELAKRHSKAEKV-QEKKI--TLQN---EYPATEKL---YYDDPTLLEFEAEVIGVE-------------GDFVILNRSAFYPESGGQDNDVGYLIANGGKFEVVDVLEAD-GVVLHVVKG--AKPEVGTKVKGVIDSDVRWRHMRHHSATHVLLYSLQKVLGNHVWQAGARKEFSKARLDVTHFRRPSEEEIKEIEMLANREILANKPIKWEWMDRIEAERKFGFRLYQGGVPPGRKIRVVQVGD-DVQACGGTHCRSTGEIGMLKILKVESIQDGVIRFEFAAGEAAIEAVEEMER-LLREASSILRVEPAKLPKTVERFFEEWKDQRKEIERLKSVIADLWADILMERAEEFDSMKVVA-EVVDADMQALQKLAERLAEKG-A-VGCLMAKGEGKVFVVTFSG-----QKYDARELLREIGRVAKGSGGGRKDVAQGAVQQLLDREEMLDVIFRFLSE--

General information: TITO was launched using: RESULT: Template: 3WQY.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 : 3750 88670 23.65 114.12 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 23.65 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.437

(partial model without unconserved sides chains): PDB file : Tito_3WQY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WQY-query.scw PDB file : Tito_Scwrl_3WQY.pdb: