Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ----MSAYIIETLIKILILVAVF-----------SALGGFATYIERKVLAYFQRRLGPCYVGPFGLLQVAADGIKLF-------TKEDIIPQGANKFIFTLAPIIAMVSAFVSMAPIPFFPNFTLFGYEIKPLISDINI-GFLFFLAVGSAGIYAPILAGLASNNKYS-----LIGSARATIQLLSFEVVSTLTILAPLMVVGSLSLVEINHYQSGGFLDWLVFKQPLAFVLFL-------IASYAELNRTPFD-------LLEHEAEIVAGYCTEYSGLKWGMFFLAEYAHLFAFSFVISIVFFGGFNAWGFIPGGIAILIKAGFFVFLS-MWVRATYPHVRPDQLMNMCWKIML----PLALLNIVLTGIVILI--------------------------------- |
4QUV Chain:A ((23-427)) | FSWLVLMIALPPLVYYLWICVTYYQGELVFTSDAAAWRRFWSHVAPPT--WHAAGLYAAWFLGQAALQVWAPGPTVQGMKLPDGSRLDYRMNGIFSFLFTLAVVFGLVTMG--------WLDATVLYDQLGPLLTVVNIFTFVFAGFLYFWGPFYDYFMGTALNPRIGSLDLKLFCEARPGMIFWLLMNLSMAAKQYELHGTVTVPMLLVVGFQSFYLIDYFIHEEAVLTTWDIKHEKFGWMLCWGDLVWLPFTYTLQAQYLVHHTHDLPVWGIIAIVALNLAGYAIFRGANIQKHHFRRD----PNRIVWG--KPAKYIKTKQGSLLLTSGWWGIARHMNYFGDLMIALSWCLPAAFGSPIPYFHIVYFTILLLHREKRDDAMCLAKYGEDWLQYRKKVPWRIVPKIY |
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General information:
TITO was launched using:
| RESULT:
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Template: 4QUV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -179252 for 2167 contacts (-82.7/contact) +
2D Compatibility (PS) -31126 + (NN) 3025 + (LL) 1888
1D Compatibility (HY) -22000 + (ID) 3000
Total energy: -230465.0 ( -106.35 by residue)
QMean score : 0.095
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