Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIRRHSCKGVGSSVAWSLLGLAISAQSLAGTVTTDGADIVIKTKGGLEVATTDKEFSFKLGGRLQADYGRFDGYYTN-----NGNTADAAYFRRAYLEFGGTA--YRDWKYQINYDLSRN------VGNDSAGYFDEASVTYTGFNPVNLKFGRFYTDFGLEKATSSKWVTALERNLTYDIADWVNDNVGTGIQASSV-VGGMAFLSGSVFSENNNDTDGDSVKRYNLRGVFAPLHEPGNVVHLGLQYAYRDLEDSAVDTRIRPRMGMRGVSTNGGNDAGSNGNRGLFGGSSAVEGLWKDDSVWGLEGAWALGAFSAQAEYLRRTVKAER-DREDLKASGYYAQLAYTLTGEPRLYKLDGAKFDTIKPENKEIGAWELFYRYDSIKVEDDNIVVDSATREVGDAKGKTHTLGVNWYANEAVKVSANYVKAKTDKISNANGDDSGDGLVMRLQYVF |
3WI5 Chain:A ((1-312)) | --------------------------------------------------------DVTLYGTIKAGVETSRSVFHQNGQVTEVTTATGIVDLGSKIGFKGQEDLGNGLKAIWQVEQKASIAGTDSGWGNRQSFIGL-----K-GGFGKLRVGRLNSVLKDTGDINP-WDSKSDYLGVNKI--AEPEARLISVRYDSPEFAGLSG-SVQYALNDNAG--RHNSESYHAGFNYKN-----GGFFVQYGGAYKRHHQV-------Q-----------------------------EGLNIEKYQIHRLVSGYDNDALYASVAVQQQDAKLTDASNSHNSQTEVAATLAYRFGN------------------------VTPRVSYAHGFKGLVAK-------ADIGNRYDQVVVGAEYDFSKRTSALVSAGWLQEGKGE---NKFVATAGGVGLRHKF |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WI5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 65871 for 2305 contacts (28.6/contact) +
2D Compatibility (PS) -30170 + (NN) 3025 + (LL) 6100
1D Compatibility (HY) 1600 + (ID) 1650
Total energy: 44776.0 ( 19.43 by residue)
QMean score : 0.088
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