Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGGAVVDEGPTGVKAPDGGWGWAVLFGCFVITGFSYAFPKAVSVFFKELIQEFGIGYSDTAWISSILLAMLYGTGPLCSVCVNRFGCRPVMLVGGLFASLGMVAASFCR----SIIQVYLTTGVITGLGLALNFQPSLIMLNRYFS-KRRPMANGLAAAGSPVFLCALSPLGQLLQD-RYGWRGGFLILGGLLLNCCVCAALMRPLVVTAQP----GS-GPPRPSRRL---L--DLSVFRDRGFVLYAVAASVMVLGLFVPPVFVVSYAKD-LGVPDTKAAFLLTILGFIDIFARPAAGFVAGLGKVRPYSVYLFSFSMFFNGLADLAGST--AGDYGGLVVFCIFFGISYGMVGALQFEVLMAIVGTHKFSSAIGLVLLMEAVAVL-VGPPSGGKLLDATHVYMYVFILAGAEVLTSSLILLLGNFFCIRKKPKEPQPEVAAAEEEKLHKPPADSGVDLREVEHFLKAEPEKNGEVVHTPETSV |
1PW4 Chain:A ((15-432)) | --------PAAEIDPTYRRLRWQIFLGIFFGYAAYYLVRKNFALAMPYLV-EQGFSRGDLGFALSGISIAYGFSKFIMGSVSDRSNPRVFLPAGLILAAAVMLFMGFVPWATSSIAVMFVL-LFLCGWFQGMGWPPCGRTMVHWWSQKERGGIVSVWNCAHNVGGGIPPLLFLLGMAWFNDWHAALYMPAFCAILVALFAFAMMRDTPQSCGLPPIEEYKND------TAKQIFMQYVLPNKLLWYIAIANVFVYLLRYGILDWSPTYLKEVKHFALDKSSWAYFLYEYAGIPGTLLCGWMSDKVFRGNRGATGVF-FMTLVTIATIVYWMNPAGNPTVDMICMIVIGFLIYGPVMLIGLHALELAPKKAAGTAAGFTGLFGYLGGSVAASAIVGYTVDFFG-WDGGFMVMIGGSILAVILLIVVMIGEKRRHEQLLQELVP------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1PW4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -378530 for 3324 contacts (-113.9/contact) +
2D Compatibility (PS) -39500 + (NN) -5648 + (LL) 3712
1D Compatibility (HY) -14800 + (ID) 2600
Total energy: -437366.0 ( -131.58 by residue)
QMean score : 0.242
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