Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequence--MRKPLFYATITKTFEHKKGGKDVYLSSEYLKQFDKDLYYKILLLESFEDQAWHTAAQLAQVVQLDARSVSKYLNELSKNYQQFSGKTHPLFTKNHRSGYNFYDTLDSIEHE-------------------RFLIYLVQSTLKFQLL--HDIFFEEFHTMYQFAQKHYISESTAHRKINEWKQQLQTYGIRLQRGTYIAQGEEEIIRLYLHMTFWQLFRGKIWPFETISQMDVKNMAEHIMAFF--------------NVRLNEIKKRRLEYMLGAFFLRKSQKHYV---VLNEKKRRLISDNL----------LFQRFCQVMEPVFPNYFQVEDELGAL-FLVLMTR--EEYY--------------SDP----------------KIRKKIFDFHQ---------------------------QAKTPPF--TALSEAKAALSLYQEEQGLPAENLTFEAENYLFSSHFFAYLFPNAKETIDGNSSDFINHLVIENKELKQWLVHFFESRHKHPNHLAFKNHAF--LMGRYLTV----FKTLGAFTPQLPKITILLMT-DFPLFEE-------QLLEEG----LRTFFRNEYQLIFLPTDYRGREVDLLISTSKVHRKPWADLDYFIVTEELKLIDYIQLSQKFEMIQKQKLLKQ---------------------------
3VSM Chain:A ((27-659))NIQELQNFERWFKNNLSYSFSQKAEKVVN-PNRNWNDNTVFDNL-------SPWTSVPDFGTVCHTLIGYCVRYNNTSDTLYQ------------NPELAYNLINGLRIICSKLPDPPPHQQAPWGPVADWYHFTITMPEVFMNITIVLNETQHYDEAASLTRYWLGLYLPTAV---NSMGWHRT-----------------AGNSMRMGVPYTYSQMLRGY-----SLAQIRQEQGIQEILNTIAFPYVTQGNGLHVDSIYIDHIDVRAYGYLINSYFTFAYYTYYFGDEVINTVGLTRAIENVGSPEGVVVPGVMSRNGTLYSNVIGNFITYPLAVHSADYSKVLTKLSKTYYGSVVGVTNRLAYYESDPTNNIQAPLWTMARRIWNRRGRIINYNANTVSFESGIILQSLNGIMRIPSGTTSTQSFRPTIGQTAIAKTDTAGAILVYAKFAEMNNLQFKSCTLFYDHGMFQLYYNIGVEPNSLNNTN-GRVIVLSRDTSVNTNDLSFEAQRINNNNSS-EGTTFNGVVCHRVPITNINVPSLTVRSPN-SSVELVEQIISFQTMYTATASACYKLNVEGHSDSLRAFRVNSDENIYVNV---GNGVKALFNYPWVMVKENNKVSFMSANED-TTIPFSVIMNSFTSIGEPALQYSPSNCFVYGNGFKLNNSTFDLQFIFEIV


General information:
TITO was launched using:
RESULT:

Template: 3VSM.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 2517 20973 8.33 44.06
target 2D structure prediction score : 0.41
Monomeric hydrophicity matching model chain A : 0.64

3D Compatibility (PKB) : 8.33
2D Compatibility (Sec. Struct. Predict.) : 0.41
1D Compatibility (Hydrophobicity) : 0.64
QMean score : 0.223

(partial model without unconserved sides chains):
PDB file : Tito_3VSM.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3VSM-query.scw
PDB file : Tito_Scwrl_3VSM.pdb: