Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQVEVDLPNHSYHIKIEEGCFSEAGDWVSHLWQKQMITIITDSNVEILYGESLVNQLKKQGFTVHVFSFAAGEASKTLEVANRIYGFLAKHHMTRSDGIIALGGGVVGDLAAFVASTYMRGIHFLQIPTSLTAQVDSSIGGKTGVNTSFAKNMVGTFAQPDGVLIDPVTLKTLGNRELVEGMGEVIKYGLIDDIKLWHILEEMDGTI--DSILDSALAIIYHSCQVKRKHVLADQYDKGLRMHLNFGHTIGHAIEVHAGYGEIMHGEAVAIGMIQLSRVAERKNLMPRGISQDIYNMCLKFGLPVHYAE-WDKDVLFDILSHDKKA-----SGQFIKIVILPQLGSATVH------QIPLEEMRDYLEK |
2GRU Chain:A ((3-366)) | -TKQICFADRCFNFAFGEHVLESVESYIPRD-EFDQYIMISDSGVPDSIVHYAAEYFGKL-APVHILRFQGGEEYKTLSTVTNLQERAIALGANRRTAIVAVGGGLTGNVAGVAAGMMFRGIALIHVPTTFLAASDSVLSIKQAVNLTSGKNLVGFYYPPRFVFADTRILSESPPRQVKAGMCELVKNMLILENDNKEFTED-DLNSANVYSPKQLETFINFCISAKMSVLSEDIYEKKKGLIFEYGHTIGHAIELAEQ-GGITHGEAIAVGMIYAAKIANRMNLMPEHDVSAHYWLLNKIGALQDIPLKSDPDSIFHYLIHDNKRGYIKLDEDNLGMILLSGVGKPAMYNQTLLTPVRKTLIKEVIRE |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2GRU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -239639 for 3064 contacts (-78.2/contact) +
2D Compatibility (PS) -37023 + (NN) -6729 + (LL) 492
1D Compatibility (HY) -17200 + (ID) 4650
Total energy: -304749.0 ( -99.46 by residue)
QMean score : 0.467
|
|
|