Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | -------------MADVKVVNNEDSRGQKQDLKAKLFHIKIGSVPLPVYVCLALLILLAGFLQKLPVNMLGGFAVILTMGWFLGTIGASIPGFKNFGGPA-ILSLLVPSILVFFNLINKNVLESTNMLMKQANFLYFYIACLVSGSILGMNRKMLIQGLLRMIFPMLLGMV-CAMMVGTFVGVILGLEWRHTLFYIVTPVLAGGIGEGILPLSLGYSSITGVASEQLVAQLIPATIIGNFFAILCTALLNRLGEKKPHLSGQGQLVRLNKGEDMSDIIADHSGPIDVKKMGGGVLTACSLFIFGHLLQQLTGFPGPVLMIVAAAILKYINVIPRETQNGAKQLYKFISGNFTFPLMAGLGLLYIPLKDVVATLSIQYFIVVISVVFTVISVGFFVSRFLNMNPVEAGIISACQSGMGGTGDVAILSTADRMNLMPFAQVATRLGGAITVITMTAILRMLF |
3TIJ Chain:A ((8-422)) | SLFMSLIGMAVLLGIAVLLSSNRKAINLRTVGGAFAIQFSLGAFILYVPWGQELLRGFSDAVSNVINYGNDGTSFLF------GGLVSG-KMFEVFGGGGFIFAFRVLPTLIFFSAL-ISVLYYLGVMQWVIRILGGGLQKALGTS---------RAESMSAAANIFVGQTEAPLVVRPFVPKMT----QSELFAVMCGGLASIA----GGVLAGYASM-GVKIEYLVAASFMAAPGGLLFAKLMMPETEKPQDKPAN-----VIDAAAGGASAGLQLALNVGAMLIAFIGLIALINGMLGGIGGWFGMPELKLEMLLGWLFAPLAFLIGVPWNEATVAGEFIGLKTVAN---EFVAYSQFAPYLTEAAPVVLS-----EKTKAIISFALCGF-------------ANLSSIAILLGGLGSLA----PKRRGDIARMGVKAVIAGTLSNLMAATIAGFFL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TIJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -348216 for 3388 contacts (-102.8/contact) +
2D Compatibility (PS) -39315 + (NN) -2300 + (LL) 4288
1D Compatibility (HY) -10400 + (ID) 3650
Total energy: -399593.0 ( -117.94 by residue)
QMean score : 0.283
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