Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --MHQRQHFEALAEDLRRHLAEGEDFTLWYSAEDSEFIRFNRARVRQAGRVRQASALLRLIRDE-----RQASLDLTLSGAPEEDRQRLAEGLRQLRQSLAWI----PADPYLLLDTSAWQRENQD--LGAAPDSGA-LLASLERRARDLDLVGIYAA-GPLFRGFANSWGAFGWHAGSSFNFDWSLFHGNGQAVKAD------------YAGQRW--DDEAFARRFEQAREQL----GHLGKPLRQLRPGD----YRAYLAP----AALEEVMQMLCWGG-----------------------------FSARALATGESPLQRLQNGDALLSPLLNLAERPATSPSPAFSAEGSPRA--------------EVELVGNGR-------------LSGRLVSSRSAREYGLVANGAGANEAP-----TALDMAGGSLEQ------ARILEALDTGLYIGNLWYLNYSDMPAARLTGMTRFATFWVENGQIRAPVSTMRFDDSLYSFLGAHLEDLSHERELRLSSNTYGERQTDSMHLPGALTGRFTLTL |
2BVL Chain:A ((1-543)) | MSLVNRKQLEKMAN--VRFRTQEDEYVAILDALEEYHNMSENTVVEKYLKLKDINSLTDICIDTYKKSGRNKALKKFKEYLVTEVLELKNNNLTPVEKNLHFVWIGGQINDTAINYINQWKDVNSDYNVNVFYDSNAFLINTLKKTVVESAINDTLESFRENLNDPRFDYNKFFRKRMEIIYDKQKNFINYYKAQREENPELIIDDIVKTYLSNEYSKEIDELNTYIEESLNKITQNSGNDVRNFGEFKNGESFNLYEQELVERWNLAAASDILRISALKEIGGMYLDVDMLPGIQPDLFESIEKPSSVTVDFWEMTKLEAIMKYKEYIPEYTSEHFDMLDEEVQSSFESVLASKSDKSEIFSSLGDMEASPLEVKIAFNSKGIINQGLISVKDSYCSNLIVKQIENRYKILNNSLNPAISEDNDFNTTTNTFIDSIMAEANADNGRFMMELGKYLRVG--FFPDVK--TTINLSGPEAYAAAYQDLLMFKEGSMNIHLIEADLRNFEISKTNISQSTEQEMASLWSFDDARAKAQFEEYKRNYFEGAL |
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General information:
TITO was launched using:
| RESULT:
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Template: 2BVL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -57250 for 2996 contacts (-19.1/contact) +
2D Compatibility (PS) -46333 + (NN) -14867 + (LL) 328
1D Compatibility (HY) -13200 + (ID) 2850
Total energy: -134172.0 ( -44.78 by residue)
QMean score : 0.193
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