Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNNTHASVKNLSLWYGSKQALFDINLDICKKKVTAFIGPSGCGKSTFLRCFNRMNDYVPGCKVAGKLDIDGLGDIYSRNVDVVLLRAKVGMVFQKPNPFPK-SIYDNVAYGPKLHGMVKNKQKLDEIVENSLTKVGLWEELKDRLQDSALDLSGGQQQRLCISRAIAVKPTILLMDEPCSALDPMATNAIENLIQEL-KLRFTIIMVTHSMKQAKKLSDSIIFFCNGKIVESGSVQEIFENARSPLTKEYILDH
4U00 Chain:A ((7-238))
-------IRNLHKWFGPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVV-----VDGLSVKDDRALREI--RREVGMVFQQFNLFPHMTVLENVTLAP-MRVRRWPREKAEKKALELLERVGIL----DQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTRPKEERTRSFLQRV
General information:
TITO was launched using:
RESULT:
Template:
4U00.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138965 for 1889 contacts (-73.6/contact) +
2D Compatibility (PS) -25005 + (NN) -10830 + (LL) 1260
1D Compatibility (HY) -16000 + (ID) 4250
Total energy: -193790.0 ( -102.59 by residue)
QMean score : 0.511
(partial model without unconserved sides chains):
PDB file :
Tito_4U00.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4U00-query.scw
PDB file :
Tito_Scwrl_4U00.pdb
: