Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDTSTSVTYDSSLQISQFILMGLPGIHEWQHWLSLPLTLLYLLALGANLLIIITIQHETVLHEPMYHLLGILAVVDIGLATTIMPKILAIFWFDAKAISLPMCFAQIYAIHCFFCIESGIFLCMAVDRYIAICRPLQYPSIVTKAFVFKATGFIMLRNGLLTIPVPILAAQRHYCSRNEIEHCLCSNLGVISLACDDITVNKFYQLMLAWVLVGSDMALVFSSYAVILHSVLRLNS-------------------------------------------------------------------------------------------------------------------------------------------------------------------AEAMSKALSTCSSHLILI-LFHTGIIVLSVTHLAEK-----------KIPLIPVFLNVLHNVIPPALNPLACALRMHKLRLGFQRLLGLGQDVSK |
3ODU Chain:A ((45-498)) | --------------------------NFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFV-ITLPFWAVDAV-ANWYFGNFLCKAVHVIYTVNLYSSVWILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSE-----ADDRYICDRFYPN------DLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSGSNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYGSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSGRPLEV |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ODU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -244784 for 1998 contacts (-122.5/contact) +
2D Compatibility (PS) -28090 + (NN) -4002 + (LL) 2112
1D Compatibility (HY) -11200 + (ID) 2200
Total energy: -288164.0 ( -144.23 by residue)
QMean score : 0.218
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