Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQEPLLGAEGPDYDTFPEKPPPSPGDRARVGTLQNKRVFLATFAAVLGNFSFGYALVYTSPVIPALERSLDPDLHLTKSQASWFG----------------SVFTLGAAAGGLSAMILNDLLGRKLSIMFSAVPSAAGYALMAGAH---GLWMLLLGRTLTGFAGGLTAACIPVYVSEIAPPGVRGALGATPQLMAVFGSLSLYALGL------LLPWRWLAVAGEAPVLIMILLLSFMPNSPRFLL-SRGRDEEALRALAWLRGTDVDVHWEFEQIQDNVRR--QSSRVSWAEA-RAPHVCRPITVALLMRLLQQLTGITPILVYLQSIFDSTAVLLPPKDDAAIVGAVRLLSVLIAALTMDLAGRKVLLFVSAAIMFAANLTLGLYIHFGPRPLSPNSTAGLESESWGDLAQPLAAPAGYLTLVPLLATMLFIMGYAVGWGPITWLLMSEVLPLRARGVASGLCVLASWLTAFVLTKSFLPVVSTFGLQVPFFFFAAICLVSLVFTGCCVPETKGRSLEQIESFFRTGRRSFLR |
4PYP Chain:A ((11-455)) | ------------------------------------RLMLAVGGAVLGSLQFGY----NTGVINAPQKVIEE--FYTQTWVHRYGESILPTTLTTLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKLGKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLDSIMGNKDLWPLLLSIIFIPALLQCIVLPFCPESPRFLLINRNEENRAKSVLKKLRGT-ADVTHDLQEMKEESRQMMREKKVTILELFRSPAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEKAGVQQPVYATIG-SGIVNTAFTVVSLFVVQRAGRRTLHLIGLAGMAGCAILMTI------------ALALLEQLPW----------MSYLSIVAIFG---FVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCGPYV-FIIFTVLLVLFFIFTYFKVPET--------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4PYP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -370819 for 3622 contacts (-102.4/contact) +
2D Compatibility (PS) -43753 + (NN) -21013 + (LL) 3440
1D Compatibility (HY) -37200 + (ID) 6550
Total energy: -475895.0 ( -131.39 by residue)
QMean score : 0.390
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