Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKELSSAQIRQMWLDFWKSKGHSVEPSANLVPVNDPTLLWINSGVATLKKYFDGSVIPE--NPRITNAQKSIRTNDIENVGKTARHHTMFEMLGNFSIGD-----YFRDEAIEWGFELLTSPEWFDFPKDKLYMTYYPDDKDSYNRWIACGVEPSHLVPIEDNFWEIGAGPSGPDTEIFFDRGEDFDPDNIGLRLLAEDIENDRYIEIWNIVLSQFNADPA----VPRSEYKELPNKNIDTGAGLERLAAVMQGAKT---------------------NFETDLFMPIIREVEKLSGKTYDPDGDNMS--------------------------FKVIADHIRALSFAIGDGALPGNEGRGYVLRRLLRRAVMHGRRLGINETFLYKLVPTVGQIMESYYPEVLEKRDFIEKIVKREEETFARTIDAGSGHLDSLLAQLKAEGKDTLEGKDIFKLYDTYGFPVELTEELAEDAGYKIDHEGFKSAMKEQQDR-ARAAVVKGGSMGMQNETLAGIVEESRFEYDTYSLESSLSVIIADNERTEAVSEGQALLVFAQTPFYAEMGGQVADTGRIKNDKGDTVAEVVDVQKAPNGQPLHTVNVLASLSVGTNYTLEINKERRLAVEKNHTATHLLHAALHNVIGEHATQAGSLNEEEFLRFDFTHFEAVSNEELRHIEQEVNEQIWNALTITTTETDVETAKEMGAMALF--GEKYGKVVRVVQIGNYSVELCGGTHLNNSSEIGLFKIVKEEGIGSGTRRIIAVTGRQAFEAYRNQEDALKEIAATVKAPQLKDAAAKVQALSDSLRDLQKENVELKEKAAAAAAGDVFKDIQEAKGVRFIASQVDVADAGALRTFADNWKQKDYSDVLVLVAAIGEKVNVLVASKTKDVHAGNMIKGLAPIVAGRGGGKPDMAMAGGSDASKIAELLAAVAENL |
3WQY Chain:A ((64-880)) | -------EMREYYLNFFERRGHGRIERYPVVARWRTDIYLTIASIADFQPFVTSGVAPPPANP-LTISQPCIRLDDLDSVGRTGRHLTLFEMMAHHAFNYPGKEIYWKNETVAYCTELLNE----------------------------LGVKKEDIVYKEEPW--AGGGNAGPCLEAIVG----------GL-------------EVATLVFMNLEEHPEGDIEIKGARYRKMDNYIVDTGYGLERFVWASKGTPTVYDAIFPEVVDTIIDNSNVSFNREDERVRRIVAESSKLAGIMGELRGERLNQLRKSVADTVGVSVEELEGIVVPLEKVYSLADHTRCILFMLGDGLVPSNAGAGYLARLMIRRSLRLAEELELGLD-LYDLVEMHKKILGFEFDVPLST---VQEILELEKERYRTTVSKGTRLVERLV-----ERKKKLEKDDLIELYDSHGIPVELAVGIAAEKGAEVEMP--KDIYAELAKRHSKAEKVQEKKITLQNEYPA---TEKLYYDDPTLLEFEAEVIGVEGD----------FVILNRSAFYPESGGQDNDVGYLIANGGKF--EVVDVLEA-DGVVLHVVKG-AKPEVGTKVKGVIDSDVRWRHMRHHSATHVLLYSLQKVLGNHVWQAGARKEFSKARLDVTHFRRPSEEEIKEIEMLANREILANKPIKWEWMDRIEAERKFGFRLYQGGVPPGRKIRVVQVGD-DVQACGGTHCRSTGEIGMLKILKVESIQDGVIRFEFAAGEAAIEAVEEMERLLREASSILRVEPAK-LPKTVERFFEEWKDQRKEIERLKSVIADLWADILMERAEEFDSMKVVAEVVD-ADMQALQKLAERLAEKGAVGCLM---AKGEGKVFVVTFSGQKYDARELLREIGRVAKGSGGGRKDVAQGAVQQLLDREEMLDVIFRFL |
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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) -168765 for 5800 contacts (-29.1/contact) +
2D Compatibility (PS) -80349 + (NN) -20900 + (LL) 6280
1D Compatibility (HY) -46800 + (ID) 11850
Total energy: -322384.0 ( -55.58 by residue)
QMean score : 0.373
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