Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDTSRKIIHIDMDAFYASVEQRDHPEFRGKPLIIGGDPNKRGVVATCSYEARKFGVHSAMPTRQAAKLCPNGIFIHGNMAHYVEVSNQIREIFSRYTDIIEPLSLDEAYLDVTENKKGMKSATMVAREIQQTIYQELGLTASAGVSFNKFIAKIASDFKKPAGITVVTPEEAEAFLEQIPVTKFYGVGKVTAEKLHRLGIETGADLKKWSEWDLIRELHKHGYHLYRHVRGRSNNIVNPHRDRKSVGKETTFEFNVLDSRVLEQSLMQFAKKVEERLIKLQ------KHGKTVVLKLRYSDFTTITKRLTLNEYTNDASQIYQAAALLLIESYTGQDSIRLIGLTVTNLKPVYFENLRLEGL |
4Q45 Chain:F ((2-342)) | ---SRKIIHVDMDCFFAAVEMRDNPALRDIPIAIGGSRERRGVISTANYPARKFGVRSAMPTGMALALCPHLTLLPGRFDAYKEASNHIREIFSRYTSRIEPLSLDEAYLDVTDSVHCHGSATLIAQEIRQTIFNELQLTASAGVAPVKFLAKIASDMNKPNGQFVITPAEVPAFLQTLPLAKIPGVGKVSAAKLEAMGLRTCGDVQACDLVMLLKRFGKFGRILWERSQGIDERDVNSERLRKSVGVERTMAEDIHHWSECEAIIERLYPELERRLAKVKPDLLIARQG----VKLKFDDFQQTTQEHVWPRL-NKADLI--ATARKTWDERRGGRGVRLVGLHVTLLDP----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4Q45.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -150497 for 2612 contacts (-57.6/contact) +
2D Compatibility (PS) -36709 + (NN) -18999 + (LL) 1948
1D Compatibility (HY) -25600 + (ID) 7900
Total energy: -237757.0 ( -91.02 by residue)
QMean score : 0.511
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