Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | -----------MLGPAYNHTMETPASFLLVGIPG--LQSSHLWLAISLSAM--------------YITALLGNTLIVTAIWMDSTRHEP-------MYCFLCVLAAV-----DIVMASSVVPKMVSIF-------CSGDSSISFSACFTQMFFVHLATAVETGLLLTMAFDRYVAICKP---LHYKRILTPQVMLGMSM-AVTIRAVTFMTPLSWMMNHLPFCGSNVVVHSYCKHIA----LAR----LACADPVP----SSLYSLI--GSSLMVGSDVAFIAA---SYILILRAVFDLSSKTAQLKALSTCG------SHVGVMALYYL------------------PGMASIYAAWLGQDIVPLHTQVLLA--DLYVIIPATLNPI------IYGMRTKQLLEGIWSYLMHFLFDHSNLGS--- |
2IQH Chain:A ((21-489)) | NATEIRASVGKMIDGIGRFYIQMCTELKLSDYEGRLIQNSLTIERMVLSAFDTGGPIYRRVDGKWRRELILYDKEEIRRIWRQANNGDDATAGLTHMMIWHSNLNDATYQRTRALVRTGMDPRMCSLMQGSTLPRRSGAAGAAVKGVGTMVMELIRMIKRGINRRTRIAYERMCNILKGKFQTAAQRTMVDQVRESRNPGNAEFEDLIFLARSALILRGSVAHKSCLPACVYGSAVASGYDFEREGYSLVGIDPFRLLQNSQVYSLIRPNENPAHKSQLVWMACHSAAFEDLRVSSFIRGTKVVPRGKLSTRGVQIASNENMETMESSTLELRSRYWAIRTRSGGNTSSGQISIQPTFSVQRNLPFDRPTIMAASDMRTEIIRLMESARPEDVSFQGRGVFELSDEKATSPIVPSFDMSNEGSYFF |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2IQH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -231351 for 2142 contacts (-108.0/contact) +
2D Compatibility (PS) -33050 + (NN) 5030 + (LL) 0
1D Compatibility (HY) -2800 + (ID) 3250
Total energy: -265421.0 ( -123.91 by residue)
QMean score : 0.033
|
|
|