Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGKFSKLGFILATLGSSIGLGHIWRFPYMVGHNGGSAFVLLYLALTLSLGIAMLLVEMLIGNLGKKDVVSNYQILDPK------RKKYYPFTSFFILGGPLILSFYAV-VLGWVLYYL--FVVTFDLPKDLEQAKMQFSMLQN-GSLIWPVIGF----SACLLPTIW---------FVS-----RGIEKGIEKLNVVLMPLLFVIFIGLLIYAMTLE----SMPKALRFLFNFEIQKI-DFKVVMDALGQMFFSLSLGVGTIITYSAFTPKKENLLKSSLFI--------VLPGILISLIAGVMIFTFVFEYHADVSQGPGLVFISLPLTFAKMGISGQIVSLFFFMALVFAGITSTVSLIEPLALYLINRFNFSRLKASLWIGVVVYVLGVLVILSMNERYAKFLSFAHKSVFGWLDFITSSFLMPLGGLFSVLFIGWILNKKRSFLATKHFFSANAFKAWHFSVRFIAPVVILAIFILQFK |
3USG Chain:A ((10-457)) | ----TRLGLILAMAGNAVGLGNFLRFPVQAAENGGGAFMIPYIIAFLLVGIPLMWIEWAMGRYGG----AQGHGTTPAIFYLLWRNRFAKILGVFGLWIPLVVAIYYVYIESWTLGFAIKFLVGL-VPEPP---TDPDSILRPFKEFLYSYIGVPKGDEPILKPSLFAYIVFLITMFINVSILIRGISKGIERFAKIAMPTLFILAVFLVIRVFLLETPNGTAADGLNFLWTPDFEKLKDPGVWIAAVGQIFFTLSLGFGAIITYASYVRKDQDIVLSGLTAATLNEKAEVILGGSISIPAAVAFFGVANAVAIAKAGAFNLGFITLPAIFSQTA-GGTFLGFLWFFLLFFAGLTSSIAIMQPMIAFLEDELKLSRKHAVLWTAAIVFFSAHLVM------------FLNKSL-DEMDFWAGTIGVVFFGLTELIIFFWIFGADKAWEEINRGGIIKVPRIYYYVMRYITPAFLAVLLVVWAR |
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General information:
TITO was launched using:
| RESULT:
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Template: 3USG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -424895 for 3508 contacts (-121.1/contact) +
2D Compatibility (PS) -40786 + (NN) -5968 + (LL) 2292
1D Compatibility (HY) -43200 + (ID) 6250
Total energy: -518807.0 ( -147.89 by residue)
QMean score : 0.331
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