Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSVPAAPLLSVEGLEVTFGTDAPAVCGVDLAVRSGQTVAVVGESGSGKSTTAAAILGLLPAGGRITAGRVVFDGRDITGADAKRLRSIRGREIGYVPQDPMTNLNPVWKVGFQVTEALRANTDGRAARRRAVELLAEAGLPDPAKQAGRYPHQLSGGMCQRALIAIGLAGRPRLLIADEPTSALDVTVQRQVLDHLQGLTDELGTALLLITHDLALAAQRAEAVVVVRRGVVVESGAAQSILQSPQHEYTRRLVAAAPSLTARSRRPPESRSRATTQAGDILVVSELTKIYRESRGAPWRRVESRAVDGVSFRLPRASTLAIVGESGSGKSTLARMVLGLLQPTSGTVVFDGTYDVGALARDQVLAFRRRVQPVFQNPYSSLDPMYSVFRAIEEPLRVHHVGDRRQRQRAVRELVDQVALPSSILGRRPRELSGGQRQRVAIARALALRPEVLVCDEAVSALDVLVQAQILDLLADLQADLGLTYLFISHDLAVIRQIADDVLVMRAGRVVEHASTEEVFSRPRHEYTRQLLQAIPGAPSAPRKVGNL |
2IT1 Chain:B ((18-238)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEK-DVTELPPKD-----RNVGLVFQN--WALYPHMTVYKNIAFPLELRK-APREEIDKKVREVAKMLHI-DKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNPP------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IT1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -168791 for 1770 contacts (-95.4/contact) +
2D Compatibility (PS) -24188 + (NN) -9435 + (LL) 21780
1D Compatibility (HY) -19600 + (ID) 4150
Total energy: -204384.0 ( -115.47 by residue)
QMean score : 0.546
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