Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LLDVNNFEYMKIGLASPDKIRSWSHGEVKKPETINYRTLKPERDGLFCERIFGPMKDWECSCGKYKRVRYKGVVCDRCGVEVTKSKVRRERMGHIELAAPVSHIWYFKGIPSRMGLVMDMSPRALEEIIYFASYVVTEPGDTPLEKKQLLSEREYRVYREKYGKGFSAGMGAEAIKKILADIDLEKETNDLKEELKSAQGQ-RRTRAIRRLEVMEAFRNSGNNPSWMVLDVLPVIPPEIRPMVQLEGGRFATSDLNDLYRRVINRNNRLKRLLDLGAPNIIVQNEKRMLQEAVDALIDNGRRGRPVTGPGNRPLKSLSHMLKGKQGRFRQNLLGKRVDYSGRSVIVVGPNLKMYQCGLPKEMALELFKPFVMKELVGRGLAHNIKSAKRKIERMAPEIWDVLEEVIREHPVLLNRAPTLHRLGIQAFEPTLVEGRAIRLHPLVCTAYNADFDGDQMAVHVPLSAEAQAEARILMLAAQNILNPKDGKPVVTPSQDMVLGNYYLTLEREKAVGEGTIFKDINEAQLAYQNGYVHLHSRIAVFAGSIPNERFTDEQRN---------QLLITTVGKLIFNTILPKSFPYINEPTKFNLEIETPAKYFVDTTTDVRAHIAAQELIDPFKKKILGNIIAEVFKKFHITETSKMLDRMKDLGFKISTKAGMTVGIADILTLEEKHEILEKAHDTVEKITKSFRRGLITDDERYERVIAVWNAAKDEIQGKLILSLD---------------RLNPIFMMQDSGARGNISNFTQLAGMRGLMADPSGRIVELPITSNFREGLTVLEYFISTHGARKGLTDTALKTADSGYLTRRLVDVAQDVIIREDDCGTDRGLTIKAIREGTEIIEPLEERLEGRYSRKTIRHPETKEVIARENDLITEAIATQIVDAGIEEVTIRSAFTCNTKHGVCKKCYGKNLATGTEVEVGEAVGIIAAQSIGEPGTQLTMRTFHTGGVAGDDI-------TQGLPRIQEIFEARNPKGQAIITEVGGEVVSIEE-GRDRQQEITIQGTDDRRSYNIPYTARLRVEEGTIVERGEALTEGSVDPKALIRVRDVLSVQEYLLAEVQKVYRMQGVEIGDKHVEVMVRQMLRKIRVMDTGDTNILPGTLMDIHTFTEANREAILSGSQPATGRPVLLGITKASLETDSFLSAASFQETTRVLTDAAIKGKRDELLGLKENVILGKLVPAGTGIGRYRKLKSEVIKETAEVTDEITNI |
4JKR Chain:D ((17-1040)) | ------FDAIKIALASPDMIRSWSFGEVKKPETINYRTFKPERDGLFCARIFGPVKDYECLCGKYKRLKHRGVICEKCGVEVTQTKVRRERMGHIELASPTAHIWFLKSLPSRIGLLLDMPLRDIERVLYFESYVVIEGGMTNLERQQILTEEQYLDALEEFGDEFDAKMGAEAIQALLKSMDLEQECEQLREELNETNSETKRKKLTKRIKLLEAFVQSGNKPEWMILTVLPVLPPDLRPLVPLDGGRFATSDLNDLYRRVINRNNRLKRLLDLAAPDIIVRNEKRMLQEAVDALLDNGRRGRAITGSNKRPLKSLADMIKGKQGRFRQNLLGKRVDYSGRSVITVGPYLRLHQCGLPKKMALELFKPFIYGKLELRGLATTIKAAKKMVEREEAVVWDILDEVIREHPVLLNRAPTLHRLGIQAFEPVLIEGKAIQLHPLVCAAYNADFDGDQMAVHVPLTLEAQLEARALMMSTNNILSPANGEPIIVPSQDVVLGLYYMTRDCVNAKGEGMVLTGPKEAERLYRSGLASLHARVKV--------RITEYEKDANGELVAKTSLKDTTVGRAILWMIVPKGLPY---------------------------SIVNQAL----GKKAISKMLNTCYRILGLKPTVIFADQIMYTGFAYAARSGASVGIDDMVIPEKKHEIISEAEAEVAEIQEQFQSGLVTAGERYNKVIDIWAAANDRVSKAMMDNLQTETVINRDGQEEKQVSFNSIYMMADSGARGSAAQIRQLAGMRGLMAKPDGSIIETPITANFREGLNVLQYFISTHGARKGLADTALKTANSGYLTRRLVDVAQDLVVTEDDCGTHEGIMMTPVIEGGDVKEPLRDRVLGRVTAEDVLKPGTADILVPRNTLLHEQWCDLLEENSVDAVKVRSVVSCDTDFGVCAHCYGRDLARGHIINKGEAIGVIAAQSIGEPGTQL---------------ESSIQVKNKGSIKLSNVKSVVNSSGKLVITSRNTELKLIDEFGRTKE------------SYKVPYGAVLAKGDGEQVAGGE--TVANWDPHTMPVITEV----------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4JKR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -314736 for 6962 contacts (-45.2/contact) +
2D Compatibility (PS) -101756 + (NN) -28928 + (LL) 16376
1D Compatibility (HY) -100800 + (ID) 27200
Total energy: -557044.0 ( -80.01 by residue)
QMean score : 0.413
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