Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSHRIVIVGGGAGGLELATRLGRTLGKRGKAQVTLVDANLTHIW-KPLLHEVAAGSLNSSEDELNYVAQAKWNHFEFQLG-RMQGLDRAGKRVRLAALVDENGVELVPERDIAYDTLVIAVGSTTNDFGTEGAAEHCIFLDTRAQAERFHRQLLGQYLRAHTGHDANNNAVSIAIIGAGATGVELAAELHHAAQMLAAYGLDRIRPEDLHISLVEAGPRVLPALPERISQPVHQTLSKLGVRVMTGSAVSKVDADGLWTGDGEFVPATLKVWAAGIRAPAFLKELDGLESNRINQLVVRPTLQTTRDDDIFAFGDCAACPQPAQPGEQPRNVPPRAQAAHQQASLLVKSLRARLEGKPLGEYHYRDYGSLISLSRFSAVGNLMGNLMGSVMLEGWLARMFYVSLYRMHQMALYGPLRTAMLMLSGRLRSTEPRLKLH |
| 1XHC Chain:A ((9-302)) | --SKVVIVGNGPGGFELAKQLSQ------TYEVTVIDKEPVPYYSKPMLSHYIAGFIPRNRLFPYSLDWYRKRGIEIRLAEEAKLIDRGRKVVITE------------KGEVPYDTLVLATGARAREPQIKGK-EYLLTLRTIFDADRIKESI--------------ENSGEAIIIGGGFIGLELAGNLAEA---------------GYHVKLIHRGAMFL-GLDEELSNMIKDMLEETGVKFFLNSELLEANEEGVLT-NSGFIEGKVKICAIGIVPNVDLARRSGIHTG-RG-ILIDDNFRT-SAKDVYAIGDCAEYSG---------IIAGTAKAAMEQARVLADILKGE------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1XHC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -186413 for 2413 contacts (-77.3/contact) +
2D Compatibility (PS) -31773 + (NN) -19800 + (LL) 9136
1D Compatibility (HY) -22800 + (ID) 4150
Total energy: -255800.0 ( -106.01 by residue)
QMean score : 0.504
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