Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEHQKRSPFPKDFLWGSASAAYQIEGAWDADGKGKSVWDEYVRI-PGTTFKGTNGDVAVDHYHRYKEDVKLMADAGLKAYRFSIAWTRIFPNGKGEVNEAGLQFYDNLIDELLKYDIEPLVTLYHWDIPQALFDEYGGWESRQVIEDFTNYSTTLFKRYGDRVKYWVSLNEQNIFVGMGYGQALHPPKVSDP------------KRMYAVNHIANLANASVIKAF---HEIVPDGKIGPSFAYTPHYPIDTDPKNVQAADDAEELNSYFWMDMYAFGRYPKAVWKYLEENDIAPVIEDGDMELLASAKPDFMGVNYYQSATVAYNPLDGVGQNNEMNFTGKKGSTKETGVPGVYKKVVNPFVKTTNWDWTIDPKGLQIALRRINSRYA-LPILITENGLG--EFDKLVDGEVNDDYRIDYLSAHATAIRDAISDGVDMLGYCTWSFTDLLSWLNGYQKRYGFVYVDRDVEDDAPMTRIPKKSYYWYKQVIETNGADL |
3AIR Chain:A ((70-540)) | ----KRDWFDKDFLFGASTSAYQIEGAWNEDGKGPSTWDHFCHTYPERISDMTNGDVAANSYHLYEEDVKALKDMGMKVYRFSISWSRILPDGTGKVNQAGIDYYNKLINSLIDNDIVPYVTIWHWDTPQALEDKYGGFLNRQIVDDYKQFAEVCFKNFGDRVKNWFTFNEPHTYCCFSYGEGIHAPGRCSPGMDCAVPEGDSLREPYTAGHHILLAHAEAVQLFKARYNMHGDSKIGMAFDVMGYEPYQDSFLDDQARERSIDYNMGWFLEPVVRGDYPFSMRSLI--GDRLPMFTKEEQEKLASSC-DIMGLNYYTSRFSKHVDM-SPDFTPTLNTDDAYASSETTGSDG---NDIGP-ITGTYWIYMY-PKGLTDLLLIMKEKYGNPPVFITENGIADVEGDESMPDPLDDWKRLDYLQRHISAVKDAIDQGADVRGHFTWGLIDNFEWSLGYSSRFGLVYIDKNDGN----KRKLKKSAKWFSK--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AIR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -153463 for 4046 contacts (-37.9/contact) +
2D Compatibility (PS) -47683 + (NN) -15110 + (LL) 1552
1D Compatibility (HY) -28800 + (ID) 8750
Total energy: -252254.0 ( -62.35 by residue)
QMean score : 0.528
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