Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MMKKNQTMISEFLLLGLPIQPEQQNLFYALFLAVYLTTLLGNLLVIVLIRLDSHLHMPMYLCLSNLSFSDLCFSSVTMPKLLQNMQSQNPSIPFADCLAQMYFHLFYGVLESFLLVVMAYHCYVAICFPLHYTTIMSPKCCLGLLTLSWLLTTAHATLHTLLMARLSFCAENVIPHFFCDTSTLLKLACSNTQV--NGWVMFFMGGLILVIPFLLLIMSCARIVSTILRVPS------------------------------------------------------------------------------------------------------------------------------------------------------------------TGGIQKAFSTCGPHLSVVSLFYGTIIGLYLCPLTNH----NTVKDTVMAVMYTGVTHMLNPFIYSLRNRDMRGNPGQSLQHKENFFVFKIVIVGILPLLNLVGVVKLIMKYHSKSVA |
3EML Chain:A ((21-472)) | -----------------------SSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITIST--GFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQ-------SQGCGEGQ---VACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYRSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQ------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3EML.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -268708 for 2101 contacts (-127.9/contact) +
2D Compatibility (PS) -27289 + (NN) -4238 + (LL) 6340
1D Compatibility (HY) -25600 + (ID) 2650
Total energy: -322145.0 ( -153.33 by residue)
QMean score : 0.291
|
|
|