Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRTEQPKVIHLKDYQAPDYLIDETHLKFELFEDHSLVHAELKLRRNPERGAGLPPLLLHGQQLELLALELDGQALGADDYQLDDEQLGVQPRQAEFVLRSTVRIHPESNTALEGLYKSGKMFCTQCEAEGFRKITYYLDRPDVMSRFTTTVSAEQQRYPVLLSNGNPVASGSEGNGRHWATWEDPFKKPAYLFALVAGDLWCVEDSFRTMSQRDVALRIYVEPENIDKVQHAMDSLKKSMRWDEEVYGREYDLDIFMIVAVNDFNMGAMENKGLNIFNSSCVLARAETATDAAHQRVEGVVAHEYFHNWSGNRVTCRDWFQLSLKEGFTVFRDSEFSADMNSRTVKRVEDVAFLRTNQFAEDAGPMAHPVRPDSFIEISNFYTLTVYEKGSEVVRMIHTLLGAEGFRKGSDLYFQRHDGQAVTCDDFVKAMEDANGVDLTQFKRWYSQSGTPRLAVEGEYDAAARRYTLTVRQSCPPTPGQPSKEPFVIPLELGLLDGQGHELPLRLEGEAVAQGGNRVLAVTEAEQRFVFVEVPEQPLPSLLRGFSAPVKLSFPYSRDQLLFLMQHDSDGFNRWEAGQQLSVQVLQELIGQHQRGEQLVLDPRLIEAYRTLLADEALDQAMVAEMLSLPSEAYLTEISEVADVDAIHAAREFARQRIGEALFEPLWQRYQANRKISRDTAYLAEASHIARRSLQNIALSYLSLSGREEILAACL--EQYEGCDNMTERLTALAVLVNSGFEAEKGKALAMFADYFKDDPLVMDQWFSVQAGSPLPGGLERVQELMQHPAFTLKNPNKVRALIGAFANQNLVNFHRPDGAGYRFLADQVIVLNALNPQIASRLLVPLTRWRKYDEARQALMRGELERILASGELSSDVYEVVSKSLA |
3B2X Chain:A ((26-891)) | -----PQAKYRHDYRAPDYQITDIDLTFDLDAQKTVVTAVSQAVRH---GASDAPLRLNGEDLKLVSVHINDEPWTA--WKEEEGALVISNLPERFTLKIINEISPAANTALEGLYQSGDALCTQCEAEGFRHITYYLDRPDVLARFTTKIIADKIKYPFLLSNGNRVAQGELENGRHWVQWQDPFPKPCYLFALVAGDFDVLRDTFTTRSGREVALELYVDRGNLDRAPWAMTSLKNSMKWDEERFGLEYDLDIYMIVAVDFFNMGAMENKGLNIFNSKYVLARTDTATDKDYLDIERVIGHEYFHNWTGNRVTCRDWFQLSLKEGLTVFRDQEFSSDLGSRAVNRINNVRTMRGLQFAEDASPMAHPIRPDMVIEMNNFYTLTVYEKGAEVIRMIHTLLGEENFQKGMQLYFERHDGSAATCDDFVQAMEDASNVDLSHFRRWYSQSGTPIVTVKDDYNPETEQYTLTISQRTPATPDQAEKQPLHIPFAIELYDNEGKVIPLQKGGHPV----NSVLNVTQAEQTFVFDNVYFQPVPALLCEFSAPVKLEYKWSDQQLTFLMRHARNDFSRWDAAQSLLATYIKLNVARHQQGQPLSLPVHVADAFRAVLLDEKIDPALAAEILTLPSVNEMAELFDIIDPIAIAEVREALTRTLATELADELLAIYNANYQ----SEYRVEHEDIAKRTLRNACLRFLAFG--ETHLADVLVSKQFHEANNMTDALAALSAAVAAQLPC-RDALMQEYDDKWHQNGLVMDKWFILQATSPAANVLETVRGLLQHRSFTMSNPNRIRSLIGAFAGSNPAAFHAEDGSGYLFLVEMLTDLNSRNPQVASRLIEPLIRLKRYDAKRQEKMRAALEQLKGLENLSGDLYEKITKALA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3B2X.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -325892 for 7672 contacts (-42.5/contact) +
2D Compatibility (PS) -92751 + (NN) -39859 + (LL) 648
1D Compatibility (HY) -78800 + (ID) 22100
Total energy: -558754.0 ( -72.83 by residue)
QMean score : 0.438
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