Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLVNNISYLYNNQDDFALNNINIKVKRGKVACLLGHSGCGKSTILKLIAGIENPKSGTIFINDKLVASSSTSIAIEHRNIGLIFQHSALFPHKTVVENVTFAIRSSSK--KEKHLIALEILKLLNIAKYENMYPNALSGGQQQLVAIARVMAQNPDVVLLDEPFSNLDILLKCQIRQRILSLFRSKNIPVLMVTHDPQEALKVADFIYVMKNGRIIQSGISSDIYHRPKDDTLAKFFSELSSTLQLGEKFPLDGAFAVRK
2IT1 Chain:A ((4-234))
IKLENIVKKFGN--FTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELP----PKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNPPMNFVEAKVEDGKLVITEKS
General information:
TITO was launched using:
RESULT:
Template:
2IT1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -189282 for 1880 contacts (-100.7/contact) +
2D Compatibility (PS) -25450 + (NN) -14718 + (LL) 416
1D Compatibility (HY) -18000 + (ID) 5100
Total energy: -252134.0 ( -134.11 by residue)
QMean score : 0.557
(partial model without unconserved sides chains):
PDB file :
Tito_2IT1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IT1-query.scw
PDB file :
Tito_Scwrl_2IT1.pdb
: