Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNYELVFLAAGQGKRMNAQKNKMWLELVGEPIFIHALRPFLAD-NRCSKVIVVCQEEERKHVKELMSQLNVAEHRIEIVKGGSERQYSVAAGLERCGTGRVVLVHDGARPFITLDIIDRLLIG-VEQSKAAICAVKVKDTVKRVMN-GV-VQETVDRENLWQVQTPQAFELPILRKAHQLARKEQFLGTDEASLVERIPCPVAIVQGSYYNIKLTTPEDMPLAKAILGELGGIAND
1I52 Chain:A ((6-229))
LDVCAVVPAAGFGRRMQTECPKQYLSIGNQTILEHSVHALLAHPR-VKRVVIAISPGDS-RFAQLPLA-N--HPQITVVDGGDERADSVLAGLKAAGDAQWVLVHDAARPCLHQDDLARLLALSETSRTGGILAAPVRDTMKRAEPGKNAIAHTVDRNGLWHALTPQFFPRELLHDCLTRALNEGATITDEASALEYCGFHPQLVEGRADNIKVTRPEDLALAEFYLTR-------
General information:
TITO was launched using:
RESULT:
Template:
1I52.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -139324 for 1807 contacts (-77.1/contact) +
2D Compatibility (PS) -23943 + (NN) -5867 + (LL) 700
1D Compatibility (HY) -12000 + (ID) 3900
Total energy: -184334.0 ( -102.01 by residue)
QMean score : 0.513
(partial model without unconserved sides chains):
PDB file :
Tito_1I52.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1I52-query.scw
PDB file :
Tito_Scwrl_1I52.pdb
: