Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMSKLNMTPREIVAYLDEYIIEQKEAKKFIAIALRNRYRRLQ-LEKSLQEEITPKNILMIGSTGVGKTEIARRMAKIMKLPFVKV-EASKYTEVGFVGRDVESMVRDLVNNSVLLVENEHKERLKDKIEEAVVEKIAKKLLPPLPSGVSEEKKQEYANSLLKMQQRIAQGELDSREIEIEVRKKSIEIDSNVPPEILRVQENLIKVFHKEQDKVKKTLSVKEAKEALKAEISDTLLDGEAIKMEGLKRAESSGVIFIDEIDKIAVSSKEGSRQ-DPSKEGVQRDLLPIVEGSVVNTKYGSIKTE-HILFIAAGAFHLSKPSDLIP--ELQGRFPLRVELENLT-EEIMYMILTQTKTSIIKQYQALLKVEGVEIAFEDDAIKELAKLSYNANQKSEDIGARRLHTTIEKVLEDISFEAEDY-SGQSVTITKELVQSKLGDLVADENLVKYIL
1G41 Chain:A ((2-444))---SEMTPREIVSELDQHIIGQADAKRAVAIALR-NRWRRMQLQEPLRHEVTPKNILMIGPTGVGKTEIARRLAKLANA-PFIKVEATKFTV----GKEVDSIIRDLTDSAMKLVRQQEIAKNR-----------------------------------------------------------------------------------------------------LIDDEAAKLINPEELKQKAIDAVEQNGIVFIDEIDKICKKG--EYSGADVSREGVQRDLLPLVEGSTVSTKHGMVKTDH-ILFIASGAFQVARPSDLIPELQG--RLPIRVELTAL-SAADFERILTEPHASLTEQYKALMATEGVNIAFTTDAVKKIAEAAFRVNEKTENIGARRLHTVMERLMDKISFSASDMN-GQTVNIDAAYVADALGEVVENEDLSRFIL


General information:
TITO was launched using:
RESULT:

Template: 1G41.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -169006 for 2563 contacts (-65.9/contact) +
2D Compatibility (PS) -35045 + (NN) -13831 + (LL) 9116
1D Compatibility (HY) -26400 + (ID) 8000
Total energy: -243166.0 ( -94.88 by residue)
QMean score : 0.581

(partial model without unconserved sides chains):
PDB file : Tito_1G41.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1G41-query.scw
PDB file : Tito_Scwrl_1G41.pdb: