Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKR--YAVVLAAGQGTRMKSKLYKVLHPVCGKPMVEHVVDQISTLNVDKVVTIVGHGAEKVQEHLAGKS-EFVKQDEQLGTAHAVLQAKAELAGKDGVTLVVCGDTPLIEASTMEALLKYHHEKRAKATILTTVIEDPTGYGRIIRDDLGIVEKIVEHKDATEKEQRISEINTGTYCFDNKALFEALENVSNDNVQGEYYLPDVIKILKDSDEVVAAYRMESFEESLGVNDRIALAEASKLMQRRINENHMRNGVTLVNPESTYIDIDVKIGQDTVIEPGVMLRGKTVIGDDCVVTSGSEIVNSVIGERVHVRTSSIFE-SKVGDDVQIGPYAHLRPESDIHDHVKIGNYVETKKAVVGEGTKLPHFIYMGDAEIGKNVNVGCGSIAVNYDGKNKAKTIIGDNVFVGCNSNLIAPVKVGDRAFIAAGSTITKDVPEDALGIARAKQDNKLGYAKHLNHSK |
4KPX Chain:A ((4-451)) | ---KALSAVILAAGKGTRMYSDLPKVLHTIAGKPMVKHVIDTAHQLGSENIHLIYGHGGDLMRTHLANEQVNWVLQTEQLGTAHAVQQAAPFFKDNENI-VVLYGDAPLITKETLEKLIEAKPEN--GIALLTVNLDNPTGYGRIIREN-GNVVAIVEQKDANAEQLNIKEVNTGVMVSDGASFKKWLARVGNNNAQGEYYLTDLIALANQDNCQVVAVQATDVMEVEGANNRLQLAALERYFQNKQASKLLLEGVMIYDPARFDLRGTLEHGKDVEIDVNVIIEGNVKLGDRVKIGTGCVLKNVVIGNDVEIKPYSVLEDSIVGEKAAIGPFSRLRPGAELAAETHVGNFVEIKKSTVGKGSKVNHLTYVGDSEIGSNCNIGAGVITCNYDGANKFKTIIGDDVFVGSDTQLVAPVKVANGATIGAGTTITRDVGENELVITRVAQRHIQGWQR------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4KPX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -276520 for 3702 contacts (-74.7/contact) +
2D Compatibility (PS) -49424 + (NN) -24788 + (LL) 936
1D Compatibility (HY) -32800 + (ID) 9350
Total energy: -391946.0 ( -105.87 by residue)
QMean score : 0.552
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