Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKELSSAQIRQMWLDFWKSKGHSVEPSANLVPVNDPTLLWINSGVATLKKYFDG-SVIPENPRITNAQKSIRTNDIENVGKTARHHTMFEMLGNFSIGD-----YFRDEAIEWGFELLTSPEWFDFPKDKLYMTYYPDDKDSYNRWIACGVEPSHLVPIEDNFWEIGAGPSGPDTEIFFDRGEDFDPDNIGLRLLAEDIENDRYIEIWNIVLSQFNADPAVPRS-------EYKELPNKNIDTGAGLERLAAVMQGAKTNFETDLFMPIIREVEKLSGKTYDPD------------------------------------------------GDNMSFKVIADHIRALSFAIGDGALPGNEGRGYVLRRLLRRAVMHGRRLGINETFLYKLVPTVGQIMESYYPEVLEKRDFIEKIVKREEETFARTIDAGSGHLDSLLAQLKAEGKDTLEGKDIFKLYDTYGFPVELTEELAEDAGYKIDHE--GFKSAMKEQQDRARAAVVKGGSMGMQNETLAGIVEESR-FEYDTY---SLESSLSVIIADNERTEAVSEGQALLVFAQTPFYAEMGGQVADTGRIKNDKGDTVAEVVDVQKAPNGQPLHTVNVLASLSVGTNYTLEINKERRLAVEKNHTATHLLHAALHNVIGEHATQAGSLNEEEFLRFDFTHFEAVSNEELRHIEQEVNEQIWNALTITTTETDVETAKEMGAM-ALFGEK-YGKVVRVVQIGNYSVELCGGTHLNNSSEIGLFKIVKEEGIGSGTRRIIAVTGRQAFEAYRNQEDALKEIAATVKAPQLKDAAAKVQALSDSLRDLQKENVELKEKAAAAAAGDVFKDIQEAKGVRFIASQVDVADAGALRTFADNWKQKDYSDVLVLVAAIGEKVNVLVASKTKDVHAGNMIKGLAPIVAGRGGGKPDMAMAGGSDASKIAELLAAVAENL |
3WQY Chain:A ((57-901)) | KKPFELDEMREYYLNFFERRGHGRIERYPVVARWRTDIYLTIASIADFQPFVTSGVAPPPANPLTISQPCIRLDDLDSVGRTGRHLTLFEMMAHHAFNYPGKEIYWKNETVAYCTELLNE---LGVKKEDIV-------------------------Y-KEEPWAGG-GNAGPCLEAIVG-----------------------GLEVATLVFMNLEEHP---EGDIEIKGARYRKMDNYIVDTGYGLERFVWASKGTPTVYDA-IFPEVVDTIIDNSNVSFNREDERVRRIVAESSKLAGIMGELRGERLNQLRKSVADTVGVSVEELEGIVVPLEKVYSLADHTRCILFMLGDGLVPSNAGAGYLARLMIRRSLRLAEELELGL-DLYDLVEMHKKILGF---EFDVPLSTVQEILELEKERYRTTVSKGTRLVERLVER-----KKKLEKDDLIELYDSHGIPVELAVGIAAEKGAEVEMPKDIYAELAKRHSKAEKV-QEKK--I-----TLQNEYPATEKLYYDDPTLLEFEAEVIGVE------------GDFVILNRSAFYPESGGQDNDVGYLIANG--GKFEVVDVLE-ADGVVLHVVKG-AKPEVGTKVKGVIDSDVRWRHMRHHSATHVLLYSLQKVLGNHVWQAGARKEFSKARLDVTHFRRPSEEEIKEIEMLANREILANKPIKWEWMDRIEAERKFGFRLYQGGVPPGRKIRVVQVGD-DVQACGGTHCRSTGEIGMLKILKVESIQDGVIRFEFAAGEAAIEAVEEMERLLREASSILRVEP-AKLPKTVERFFEEWKDQRKEIERLKSVIADLWADILMERAEEFDSMKVVAEVVD-ADMQALQKLAERLAEKG-A-VGCLMAKGEGKVFVVTF-SGQKYDARELLREIGRVAKGSGGGRKDVAQGAVQQLLDREEMLDVIFRFL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WQY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -254676 for 6218 contacts (-41.0/contact) +
2D Compatibility (PS) -82634 + (NN) -24856 + (LL) 4184
1D Compatibility (HY) -46400 + (ID) 10800
Total energy: -415182.0 ( -66.77 by residue)
QMean score : 0.430
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