Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIIYCIT-KADNGGAQTHLIQLANHFCV-HHDVYVIVGN-HGPMIEQLD-ARVNVIILEHLVGPIDFKQDILAVKVLAQLFSKIKPDVIHLHSSKAGTVGRIAKFISKSKDTRVVFTAHGWAFTEGVKPAKKFLYLVIEKLMS--CITDSIICVSDFDKQLALKY-RFNRLKLTTIHNGIADVPAVKQTLKSQSHNNIGEVVGMLPNKQDLQINAPTKHQFVMIARFAYPKLPQNLIAAIEILKLHNS--NHAHFTFIGDGPTLNDCQQQVVQAGLENDVTFLGNVINASHLLSQYDTFILISKHEGLPISIIEAMATGLPVIASHVGGISELVAD--NGIC-MMNNQPETIAKVLEKYLIDSDY-IKMSNQSRKRYLECFTEEKMIKEVEDVYNGKSTQ |
2IW1 Chain:A ((2-371)) | -IVAFCLYKYFPFGGLQRDFMRIASTVAARGHHVRVYTQSWEGDCPKAFELIQVPVKSHTN------HGRNAEYYAWVQNHLKEHPADRVVGFNKMPGLDVYFAADVCY---AEKVAQEKGFLYRLT--S-RYRHYAAFERATFEQGKSTKLMMLTDKQIADFQKHYQTEPERFQILPPGIYPDRKYSEQIP-NSREIYR--------QK--NGIKEQQNLLLQVGSDFGRKGVDRSIEALASLP--ESLRHNTLLFVVGQDKP-RKFEALAEKLGVRSNVHFFSGRNDVSELMAAADLLLHPAYQEAAGIVLLEAITAGLPVLTTAVCGYAHYIADANCGTVIAEPFSQEQLNEVLRKALTQSPLRMAWAENARHYA-DTQDLYSLPEKAADIITGG--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IW1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -191590 for 2951 contacts (-64.9/contact) +
2D Compatibility (PS) -39111 + (NN) -16699 + (LL) 2020
1D Compatibility (HY) -6800 + (ID) 2850
Total energy: -255030.0 ( -86.42 by residue)
QMean score : 0.426
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