Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKTLTNKLAEKEHAAVVTYIMGGDGGLDNLEEQLLFLEKSGVSAIEIGIPFSDPVADGPIIQLAGLRALKEQVSLEAILNKLAMSK---VQIPLIIMSYINPIFHLGIPKFVELVQKTPVKGLIIPDLPYEHQKLITPELQGTDIALIPLVSLTSPKERLEEIAKQAEGFIYAVTVNGTTGVRSEFDA-HIDSHLAYLKSISPVPVLAGFGVSSIEHVEKFAHVCDGVIIGSKVVQMLHEEKTAELGAFLQKAAEVRIKN
2EKC Chain:A ((7-260))
----KFTELKEKREKALVSYLMVGYPDYETSLKAFKEVLKNGTDILEIGFPFSDPVADGPTIQVAHEVALKNGIRFEDVLELSETLRKEFPDIPFLLMTYYNPIFRIGLEKFCRLSREKGIDGFIVPDLPPEEAEELKAVMKKYVLSFVPLGAPTSTRKRIKLICEAADEMTYFVSVTG---------YERIKKKVEEYRELCDKPVVVGFGVSKKEHAREIGSFADGVVVGSALVKLAGQKKIEDLGNLVKELKEGL---
General information:
TITO was launched using:
RESULT:
Template:
2EKC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -233568 for 2075 contacts (-112.6/contact) +
2D Compatibility (PS) -27407 + (NN) -21784 + (LL) 920
1D Compatibility (HY) -19200 + (ID) 4050
Total energy: -305089.0 ( -147.03 by residue)
QMean score : 0.715
(partial model without unconserved sides chains):
PDB file :
Tito_2EKC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2EKC-query.scw
PDB file :
Tito_Scwrl_2EKC.pdb
: