Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSKFTKLMQGYLHLIEGKNEKIKPILLETKPNFTTDSVLETASWLWLSSKINHYDREEVEPVIAFLVENWNRPEKSIWGSAENDIYLATISSVYSALLDVKNTFPKPELQQTITIIRDYCFDNLLKGDSILTGFNTRKVSTDQLLSVLPFGLFSPEDLVMVAAVGKMEQQLVQDDGVLPYSGAPRVNSFATALMALYFLEKSDQDKALHYLNMAMKMEDNDELGAIFIEINQAFRAMESEVTAHISHDPFGHENRYEQQLTERTPHYPETEMHFSAACEVISEVEPIQVELVLKEKDWTILCEKKEKNDVQIWEALVPPLEEVGEYTYYFQATMKDQTTLTSDDYKVEPIWKHWSEEAAICETEQGLMVLFKENPSSIIPVEFTVKS---DELVIGLKPSFEAS-NVKT-----KSSGQLKKDDLEIIVSNNPVRLEVHF--KGKLILESHKIYPALQWYTDKTGTINKVKLHLDAPKEEEYYGFGERYNAL---GQRGNVLDCFVYNQYRD-QGTRTYIPMPFYHT-----NRDYSVFVDTARYTSFDLGNQLADKHTITVEINGCDTDICLLMG-DIRSAVANYMKKTGKPAMVPVWALGPWMSSNNWDRESVVRNEVETTQELQIPSTVVVLE-QWSDEATYYMFNDAEYDEKAPSEAYSYDEIRFPSWGRWPDPKGMVDYIHDNKMKLILWQIPIQKYLNRQQHPLKDREEAYMIEKGYVVKNPDGS-PYRIPENWFTESLIMDFSNEEGKKWWFDKRQYLI-DIGVDGFKTDGGEFVFGE---------------------------------GLQFADGRRGDEMRNLYPNDYVEAYYQFAQ----QNEGMTFSRAGYTGAQNFPAHWAGDERSTFDAFRRSLIAGLSAGFSGIPFWSFDFAGFNGDIPTAELFIRSAEMATFCPIMQYHAESKAEFNQDRTPWNIASRTGDDSVIPIYRHFANVRMNILPYIYNESLKCVETGLPMMRALLLDYKEDPRVSDMYDQYLFGEAMLIAPVIEDGVRSREVYLPEGTWYDFWNGTKVS-GPTLRKCKADKEEIPVFVRGGKAVLCNVDATLKLGSWVGNTVEEYDTPLLKVYLDGD--FTEEITDHLFGKWLVKVTENADEVIVSVQTNTASYEVEVIGTTKKVQIKKGR |
| 3LPP Chain:A ((104-805)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TLFGNDINSVLFTTQNQTPNRFRFKITDPNNRRYEVPHQYVKEFTGPTVSDTLYDVKVAQNPFSIQVIRKSNGKTLFDTSIG-PLVY-------SDQYLQISARLP-SDYIYGIGEQVHKRFRHDLSWKTWPIFTRDQLPGDNNNNLYGHQTFFMCIEDTSGKSFGVFLMNSNAMEIFIQPTP----IVTYRVTGGILDFYILLGDTPEQVVQQYQQLVGLPAMPAYWNLGFQLSRWNYKSLDVVKEVVRRNREAGIPFDTQVTDIDYM----------------EDKKDFTYDQ------VAFNGLPQFVQDLHDHGQKYVIILDPAISIGRRANGTTYA-TYERGNTQHVWINESDGSTPII-GEVWPGLTVYPDFTNPNCIDWWANECSIFHQEVQYDGLWIDMNEVSSFIQGSTKGCNVNKLNYPPFTPDILDKLMYSKTICMDAVQ-NWGKQYDVHSLYGYSMAIATEQAVQKVFPNKRSFILTRSTFAGSGRHAAHWLGDNTASWEQMEWSITGMLEFSLFGIPLVGADICGFVAE-TTEELCRRWMQLGAFYPFSRNHNSDG---YEHQDPAFFGQN---SLLVKSSRQYLTIRYTLLPFLYTLFYKAHVFGETVARPVLHEFYEDTNSWIEDTEFLWGPALLITPVLKQGADTVSAYIPDAIWYDYESGAKRPWRKQRVDMYLPADKIGLHLRGGYIIPIQEPDVTT-TA------SRKNPLGLIVALGENNTAKGDFFWDDGETK--------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3LPP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -214146 for 5723 contacts (-37.4/contact) +
2D Compatibility (PS) -68454 + (NN) -20015 + (LL) 35172
1D Compatibility (HY) -26800 + (ID) 6500
Total energy: -300743.0 ( -52.55 by residue)
QMean score : 0.464
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