Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLTKKPEINTILQVTPDPHSLPAAMATEDLHVYYGDNH-AIKGVDLTFPENKVTALIGPSGCGKSTYLRALNRMNDEIDGCRMEGQILYDGININRKEVDLYNVRKEIGMVFQKPNPFTKSIYENVAFGLKRHGMKNKKEIMERVEKSLRRAALWDEV-------KDDLGKSALSLSGGQQQRLCIARAVAMQPKVLLLDEPASALDPISTSKIEDLINELKNKYTIIIVTHNMQQAARVSDYTSFFYLGEVVEFSGTSELFTNPQEKQTEDYISGNFG |
3NHB Chain:A ((57-249)) | ---------------------------ENVHFSYAD-RETLQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGC-----IRIDGQDIS--QVTQASLRSHIGVVPQDTVLFNDTIADNIRYGRVTAGN-------DEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIARTILKAPGIILLDEATSALDTSNERAIQASLAKVCANRTTIVVAHRL--------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3NHB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -95560 for 1358 contacts (-70.4/contact) +
2D Compatibility (PS) -19415 + (NN) -751 + (LL) 5356
1D Compatibility (HY) -10800 + (ID) 3350
Total energy: -124520.0 ( -91.69 by residue)
QMean score : 0.465
|
|
|