Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSLEIVILAAGQGTRMRSALPKVLHPIAGKPMLGHVIDCARQLQPERIHVVIGHGADLVRERMAADDLNFVLQAEQLGTGHAVAQALPFLSADQ-VLILYGDVPLIQLDTLQRLLAQVTPDQLSLLTVDMLDPTGYGRIVRDDQGAVQAIVEHKDATPAQRQIGEINTGILAVPGKRLADWLGRLSNDNAQGEYYLTDVIAMAVGDGLVVASAQPLDAMEVQGVNDRMQQAQLERHYQRLRAEELMRQGVTLLDPQRLDVRGEISVGRDVLIDVNVVLEGRVVIEDDVRIGPNCVIRDSVLRRGAVIKANSHLEGAELGEGSDAGPFARLRPGSVLGARAHVGNFVELKNARLGEGSKAGHLSYLGDAELGANCNIGAGTITCNYDGANKFRTELGDDVFIGSNNSLVAPLKIGDGATTAAGSTITHEVPAKNLAFGRARQKNLENWKRPEKIKK |
4KNR Chain:A ((5-453)) | -ALSAVILAAGKGTRMYSDLPKVLHTIAGKPMVKHVIDTAHQLGSENIHLIYGHGGDLMRTHLANEQVNWVLQTEQLGTAHAVQQAAPFFKDNENIVVLYGDAPLITKETLEKLIEAKPENGIALLTVNLDNPTGYGRIIREN-GNVVAIVEQKDANAEQLNIKEVNTGVMVSDGASFKKWLARVGNNNAQGEYYLTDLIALANQDNCQVVAVQATDVMEVEGANNRLQLAALERYFQNKQASKLLLEGVMIYDPARFDLRGTLEHGKDVEIDVNVIIEGNVKLGDRVKIGTGCVLKNVVIGNDVEIKPYSVLEDSIVGEKAAIGPFSRLRPGAELAAETHVGNFVEIKKSTVGKGSKVNHLTYVGDSEIGSNCNIGAGVITCNYDGANKFKTIIGDDVFVGSDTQLVAPVKVANGATIGAGTTITRDVGENELVITRVAQRHIQGWQRPI---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4KNR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -323693 for 3708 contacts (-87.3/contact) +
2D Compatibility (PS) -48965 + (NN) -20934 + (LL) 724
1D Compatibility (HY) -44400 + (ID) 11900
Total energy: -449168.0 ( -121.13 by residue)
QMean score : 0.584
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