Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MTLDVGPEDELPDWAAAKEFYQKYDPKDVIGRGVSSVVRRCVHRATGHEFAVKIMEVTAERLSPEQLEEVREATRRETHILRQVAGHPHIITLIDSYESSSFMFLVFDLMRKGELFDYLTEKVALSEKETRSIMRSLLEAVSFLHA-NNIVHRDLKPENILLDDNMQIRLSDFGFSCHLE-PGEKLRELCGTPGYLAPEILKCSMDETHPGYGKEVDLWACGVILFTLLAGSPPFWHRRQILMLRMIMEGQYQFSSPEWDDRSSTVKDLISRLLQVDPEARLT-----AEQALQHPFFERCEGSQPWNLTPRQRFRVAVWTVLAAGRVALSTHRVRPLTKNALLRDPYALRSVRHLIDNCAFRLYGHWVKKGEQQNRAALFQHRPPGPFPIMGPEEEGDSAAITEDEAVLVLG |
| 4GV1 Chain:A ((8-273)) | ---------------------NEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVIV-AKDEV----AHTLTENRVLQNSR-HPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCKEGIKDGATMKTFCGTPEYLAPEVLE------DNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEIRFPR----TLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVW-------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4GV1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -164034 for 2057 contacts (-79.7/contact) +
2D Compatibility (PS) -27902 + (NN) -20998 + (LL) 9652
1D Compatibility (HY) -23200 + (ID) 3950
Total energy: -230432.0 ( -112.02 by residue)
QMean score : 0.445
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