Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNNTHASVKNLSLWYGSKQALFDINLDICKKKVTAFIGPSGCGKSTFLRCFNRMNDYVPGCKVAGKLDI------DGLGDIYSRNVDVVLLRAKVGMVFQKPNPFPK-SIYDNVAYGP-KLHGMVKNKQKLDEIVENSLTKVGLWEELKDRLQDSALDLSGGQQQRLCISRAIAVKPTILLMDEPCSALDPMATNAIENLIQELKLRF-TIIMVTHSMKQAKKLSDSIIFFCNGKIVESGSVQEIFENARSPLTKEYILDH
1B0U Chain:A ((5-253))
---NKLHVIDLHKRYGGHEVLKGVSLQARAGDVISIIGSSGSGKSTFLRCINFLEKPSEGAIIVNGQNINLVRDKDGQLKVADKN-QLRLLRTRLTMVFQHFNLWSHMTVLENVMEAPIQVLGLSKHDAR--ERALKYLAKVGIDERAQGKY---PVHLSGGQQQRVSIARALAMEPDVLLFDEPTSALDPELVGEVLRIMQQLAEEGKTMVVVTHEMGFARHVSSHVIFLHQGKIEEEGDPEQVFGNPQSPRLQQFLKGS
General information:
TITO was launched using:
RESULT:
Template:
1B0U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -145903 for 1956 contacts (-74.6/contact) +
2D Compatibility (PS) -26099 + (NN) -12032 + (LL) 356
1D Compatibility (HY) -14400 + (ID) 4350
Total energy: -202428.0 ( -103.49 by residue)
QMean score : 0.519
(partial model without unconserved sides chains):
PDB file :
Tito_1B0U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1B0U-query.scw
PDB file :
Tito_Scwrl_1B0U.pdb
: