Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLSLHEVAKVVGAKNQVSEFEDVPLGNIEFDSRNISEGDLFLPLKGARDGHEFIEMAFDNGAIATISEKEIEGHPYLLVSDALKAFQVLAQYYIEKMNVDVIAVTGSNGKTTTKDMIAAILST-TYK--TYKTQGNYN--NEI---GLPY-----------------------------TVLHM--PEDTEKIILEMGQDHLGDIHVLSEIAKPRIAVVTLIGEAHLEFFG-SREKIAEGKMQITDGMSSDGILIAPGD--PI-IDP-YLPANQMT-------IRFGHDQELQVTELKEEKHSLTFKTNALEHQLRIPVPGKYNATNAMVAAYVGKL--LAVAEEDIVDALENLQLTRNRTEWKKSANGADILSDVYNANPTAMRLILETFSAIPNNDGGKKIALLADMKELGEQSVDLHNQMIMSIRPDSIDTLICYGQDI-E-GLAQLASQMFPIGKVYFFKKNQEVDQFDQLLAKVKDTLKEKDQILLKGSNSMNLSKIVDILEVG |
3NRS Chain:A ((35-427)) | -------------------------------------------------------------------------------LERVKQVAERLDLLKP---APKIFTVAGTNGKGTTCCTLEAILLAAGLRVGVYSSPHLLRYTERVRIQGQELSEAEHSHSFAQIEAGRGDISLTYFEFGTLSALQLFKQAKLDVVILEVGLGG--RLDAT-NIVDSDVAAITSIALDHTDWLGYDRESIGREKAGVFRG---GKPAVVGEPDMPQSIADVAAEL-GAQLYRRDVAWKFSQ-------------NGWHWQCG-ERQLTGLPVPN-VPLANAATALAVLHYSELPLSDEAIRQGLQAAS-LPGRFQVVSE--QPLLILD-VAHNPHAARYLVNRLAQVI----GKVRAVVGMLS------DKDIAGTLACLSER-VDEWYCAPLEGPRGASAGQLAEHL--VSARQFSDVETAW------RQAMQDADTQDVVIVCGSFHTVAHVMAALHL-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NRS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -135149 for 2650 contacts (-51.0/contact) +
2D Compatibility (PS) -34094 + (NN) -11403 + (LL) 8068
1D Compatibility (HY) -8400 + (ID) 2950
Total energy: -183928.0 ( -69.41 by residue)
QMean score : 0.337
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