Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAISWKEMNELQPRVMKLLYNSIEKDRLSHAYLFEGKKGTGKLDAALLLAKSFFCLEG-GAEPCESCRNCKRIESGNHPDLHLVQPDGLSIKKAQ-IQALQEEFSKTGLESHKKLYIISHADQMTANAANSLLKFLEEPNKDTMAVLITEQPQRLLDTIISRCQTLPFQPLQPKAIEDRLIEQDVSPHMARLLANMTNNVAEAVELSRNDEFAESRAKVIKLYEVLHQRKGHAFFFIQDQWMPFFKEKTHQEMGLDMLLLIYRDVLSIQIGNEDKLIYQDLFQSIKQHALQSTQQSVTNQILAVLEAKKRLHSNVNVQGLMEHLVLMLQEG |
1NJF Chain:A ((28-194)) | -----------QEHVLTALANGLSLGRIHHAYLFSGTRGVGKTSIARLLAKGLNCETGITATPCGVCDNCREIEQGRFVDL--IEIDAASRTKVEDTRDLLDNVQYAPARGRFKVYLIDEVHMLSRHSFNALLKTLEEPPEHVKFLLATTDPQKLPVTILSRCLQFHLKALDVEQIRHQL------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 1NJF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -75014 for 1243 contacts (-60.3/contact) +
2D Compatibility (PS) -18174 + (NN) -10036 + (LL) 15404
1D Compatibility (HY) -10000 + (ID) 3000
Total energy: -100820.0 ( -81.11 by residue)
QMean score : 0.586
|
|
|