Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKHDAYEIILSWFITPLTAILGRFAEFFLYTLHAQLVFNSAVALAFMLFAYRSLKEQNFFSASALLEALWFVGFFALFNYALKNPSRFYELFQNAIFIAPNMITQSLSQSLS-NFSNHALSLDFIFNHGFY------ALSFISDLSHNEMSVWLFLSILQALFLSVLFAIIILVYLEAHVWCSLGALFLAFGFFKTWRSVVVICLKKCF----ALGFYKPFLLLVGFLNVSVTKALMDASMQEKQDLSLLLVVALFLCCVFIIGVPFFINALFRVQNSLKE--TYKLATNLSANLTQSAFQ----------------SLQHATTSPAPSHISSSASQSVSKEKETHSPTFKVETTQLDVKIPNFKQKKVKKDTIDTKNEI------- |
4CR2 Chain:S ((126-478)) | -----KTIEVTAEINCFMHLLVQLFLWDSKELEQLVEFNRKVVIPNLL-CYYNLRSLNLINA-----KLWF--YIYLSHETLARSSEEINSDNQNIILRSTMMKFLKIASLKHDNETKAMLINLILRDFLNNGEVDSASDFISKLEYPHTDVSSSLEARYFFYLSKINAIQLD--------------------YSTANEYIIAAIRKAPHNSKSLGFLQQSNKLHCCIQLLMGDIPELSFFHQSNMQKSLLPYYHLTKAVKLGDLKKFTSTITKYKQLLLKDDTYQLCVRLRSNVIKTGIRIISLTYKKISLRDICLKLNLDSEQTVEYMVSRAIRDGVIEAKINHEDGF-IETTELLNIYDSEDPQQVFDERIKFANQLHDEYLVS |
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General information:
TITO was launched using:
| RESULT:
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Template: 4CR2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -235236 for 2109 contacts (-111.5/contact) +
2D Compatibility (PS) -31577 + (NN) -1414 + (LL) 3168
1D Compatibility (HY) -14800 + (ID) 3200
Total energy: -283059.0 ( -134.21 by residue)
QMean score : 0.249
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