Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLKHIVLGLALTTLLGVTFSNQEVSASSTSSKVVKVGVMTFSDTEKARWDKIEK-LVG-DKAKIKFTEFTDYTQPNQATANKDVDINAFQHYNFLENWNKENKKNLIPLEKTYLAPIRIYSEKVKSLKKLKKGATIAIPNDATNGSRALYVLQSAGLIKLNVSGKKVATVANITSNKKDINIQELDASQTPRALKDVDAAIINNTYIEQANLKP-SDAIFVEKSDKNSKQWINIIAGRKNWKKQKNAKAIQAILDAYHTDEVKKVIKDT---SADIPQW |
3UP9 Chain:A ((5-245)) | ------------------------------DVVTLTVGATPSP--HAKILTYINDNLAADAGIKLDIVEYTDYVQPNTALNDGDLDANFYQTVPYLENAEKQFGYNFEAGEGIHLEPLGVFSNKHKSLDELPDGGTIGIISDTANQSRALELLATQGLVSIPEG---DVNINTVT-KLKNFDFREVEGPQLVRSLDDFDYAVINGNFAQEGGKTISGDALVVESP--VDNPAVNVLVWKGDS-K--KVDAIAKLEKLLHSDEVKQYIEKTWSDGSVIPAF |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UP9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -59490 for 1964 contacts (-30.3/contact) +
2D Compatibility (PS) -24589 + (NN) -3866 + (LL) 2672
1D Compatibility (HY) -13600 + (ID) 3600
Total energy: -102473.0 ( -52.18 by residue)
QMean score : 0.446
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