Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQQEEIIEGYYGASKGLKKSGIYAKLDFLQSATGLILALFMIAHMFLVSSILISDEAMYKVAKFFEGSLFLKAGEPAIVSVVAAGVILILVAHAFLALRKFPINYRQYKVFKTHKHLMKHGDTSLWFIQALTGFAMFFLASIHLFVMLTEPESIGPHGSSYRFVTQNFWLLYIFLLFAVELHGSIGLYRLAIKWGWFK----NVSIQGLRKIKWAMSVFFIVLGLCTYGAYIKKGLENKDNGIKTMQEAIEADGKFHKE
2BS4 Chain:C ((1-244))
MTNESILESYSGVTPERKKSRMPAKLDWWQSATGLFLGLFMIGHMFFVSTILLGDNVMLWVTKKFELDFIFEGGKPIVVSFLAAFVFAVFIAHAFLAMRKFPINYRQYLTFKTHKDLMRHGDTTLWWIQAMTGFAMFFLGSVHLYIMMTQPQTIGPVSSSFRMVSEWMWPLYLVLLFAVILHGSVGLYRLAVKWGWFDGETPDKTRANLKKLKTLMSAFLIVLGLLTFGAYVKKGLEQTDPNIDYKYFDYKRTHH----
General information:
TITO was launched using:
RESULT:
Template:
2BS4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137831 for 1639 contacts (-84.1/contact) +
2D Compatibility (PS) -25556 + (NN) -15789 + (LL) 484
1D Compatibility (HY) -36400 + (ID) 7100
Total energy: -222192.0 ( -135.57 by residue)
QMean score : 0.375
(partial model without unconserved sides chains):
PDB file :
Tito_2BS4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BS4-query.scw
PDB file :
Tito_Scwrl_2BS4.pdb
: