Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRVPSK--GFAIFSKDGHFKPH--DFSRHAVGPKDVLIDILYAGICHSDIHSAYSEWKEGIYP-MVPGHEIAGVIKEVGKEVKKFKVGDVVGVGCFVNSCKTCKPCKEHQEQFCANHKTVFTYDCLDYFHDNEPHMGGYSNNIVVDENYVISVDKNAPLEKVAPLLCAGITTYSPL--KFSKVTKGTKVGVAGFGGLGSMAVKYAVAMGAEVSVFARNDHKKQDALNMGVKHFY------TDPKQCKEELDFIISTIP--THYDLKDYLKLLTYSGELALVGLPPVEVAPALNVFEFIHLGNRKVYGSLIGGIKETQEMMDFSIKHNIYPEVDL--ILGKDIDTAYHNLTHGKAKFRYVI-DMKKSFD |
| 4OAQ Chain:A ((5-366)) | --VPDKFQGFAVSDPKNWNRPKLASYERKQINPHDVVLKNEVCGLCYSDIHTLSAGWQPLQRDNLVVGHEIIGEVIAVGDEVTEFKVGDRVGIGAASSSCRSCQRCDSDNEQYC--KQGAATYNSKDVRSNNYVTQGGYSSHSIADEKFVFAIPEDLPSSYGAPLMCAGITVFSPLIRNLGLDARGKNVGIIGIGGLGHLALQFANAMGANVTAFSRSSSKKEQAMKLGAHDFVATGEDKTWYKNYDDHFDFILNCASGIDGLNLSEYLSTLKVDKKFVSVGLPPSEDKFEVSPFTFLQQG-ASFGSSLLGSKTEVKEMLNLAAKHNVRPMIEEVPISEENCAKALDRCHAGDVRYRFVFTDFDKAFA |
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General information:
TITO was launched using:
| RESULT:
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Template: 4OAQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -234230 for 3083 contacts (-76.0/contact) +
2D Compatibility (PS) -36611 + (NN) -8877 + (LL) 292
1D Compatibility (HY) -21600 + (ID) 6200
Total energy: -307226.0 ( -99.65 by residue)
QMean score : 0.551
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