Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMTRTVAIDIGGTMIKHGIVDNLGCIVEASELATEAYKGGPGILQKVCQIIDNYLTEGSIDGIAISSAGMVDPDEGCIFYSGPQIPNYAGTQFKKVLEDTYQVRTEIENDVNCAGLAEAVSGSAKDSSIALCLTIGTGIGGCLIIDKTVFHGFSNSACEVGYMHLSD-----GDFQDLASTTALIADVAKAHGDEISRWDGRRIFQEAKEGNEKCIASIDRMINYLGQGIANMVYVVNPEKVVLGGGIMAQKDYLQDKLSESLKRNLVT--SLAEKTAIVFAQHENQAGMLGAYYHFKNRG
2GUP Chain:A ((4-288))-MTIATIDIGGTGIKFASLTPDGKILDKTSISTPE--NLE----DLLAWLDQRLSEQDYSGIAMSVPGAVNQETGVIDGF-SAVPYIHGFSWYEALS-SYQLPVHLENDANCVGLSELLAHP--ELENAACVVIGTGIGGAMIINGRLHRGRHGLGGEFGYMTTLAPAEKLNNWSQLASTGNMVRYVIEKSGH--TDWDGRKIYQEAAAGNILCQEAIERMNRNLAQGLLNIQYLIDPGVISLGGSISQN-PDFIQGVKKAVEDFVDAYEEYTVAPVIQACTYHADANLYGALVNWLQEE


General information:
TITO was launched using:
RESULT:

Template: 2GUP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -181684 for 2337 contacts (-77.7/contact) +
2D Compatibility (PS) -29296 + (NN) -10225 + (LL) 1024
1D Compatibility (HY) -16800 + (ID) 4250
Total energy: -241231.0 ( -103.22 by residue)
QMean score : 0.523

(partial model without unconserved sides chains):
PDB file : Tito_2GUP.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2GUP-query.scw
PDB file : Tito_Scwrl_2GUP.pdb: