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HEHE8EHMHEHEH;Es/}u'HuH} HEHE8EHMH}t}uHEHE~2]H} HEHE8!؅EEHX[UHSHXH}HuHUH}M HHEHEHHEHuH} HHEHEHEEHE+HuH} HEHE8EHMHEHEH;Es/}u'HuH} HEHE8EHMH}t}uHEHE~2]H} HEHE8!؅EEHX[UHSHH:#H8H56 H$#H8H56 HH56 HH5$ H`#H"H8H56 HH HH5 H"H8H56 H"H8H56x H"H8H56b Hw"H8H56L Ha"H8躱HM"H8H5 H7"H8H=5HEH}u H-)HEH"HHuH=OH!H8^UHSHhH}HEHHt9HEHHHHEHEHH9EtHmHUHHH}HEHHEH}uvHEHUHUHEHHEH}tFHUHHUHEHHEHUHHUHEH9EtHm0H}vHUHU`HEHHEHUHHUHEHHEHUH9UtHm0H}'HEH`HEH}r#HEH]HUH`HUH}SH]HEHHEH}T#HEH]HUHHUH}5H]HEHEH}&HEH]HUHUH}H]H}Hh[UHHH}H=n 9 UHHH}H=U  UHHH}H=<  UHHH}H=# ÐUHHH}H= ÐUHHH}H=ÐUHHH}H=nLUHHH}H=LUHHH}H=eÐUHHH}H=JÐUHHH}H=/ÐUHHH}H=ÐUHHH}H=UHHH}H=UHHH}H=ZCUHHH}H= CUHHH}H=KÐUHHH}H=JvUHHH}H=J\UHHH}H=JBUHHH}H=J(ÐUHHH}H=JUHHH}H=JÐUHHH}H=JUHHH}H=SKUHHH}H=bJ%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % %%%%%%%%%% %"%$%&%(%*%,%.%0%2%4%6%8%:%<%>%@%B%D%F%H%J%L%N%P%R%T%V%X%Z%\%^%`%b%d%f%h%j%l%n%p%r%t%v%x%z%|%~%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % %%%%%%%%%% %"%$%&%(%*%,%.%0%2%4%6%8%:%<%>%@%B%D%F%H%J%L%N%P%R%T%V%X%Z%\%^%`%b%d%f%h%j%l%n%p%r%t%v%x%z%|%~%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % %%%%%%%%%% %"%$%&%(%*%,%.%0%2%4%6%8%:%<%>%@%B%D%F%H%J%L%N%P%R%T%V%X%Z%\%^%` Array error Array dimension = Vector addition size mismatchVector self-addition size mismatchCannot normalize zero length vectorRotation matrices are not orthonormal!! ) (w= .*> #Sequence with no title8Sequence8MystringALACYSASPGLUPHEGLYHISHIPHIEILELYSLEUMETMSEASNPROGLNARGSERTHRVALTRPTYRWARNING: Sequence and coordinates do not agree. CA ATOMHETATMREMARK GAPTITLEENDMDLUNDEF UNDFUND N C CB *** One or more residues lack a well defined orientation (C-alpha only?) ***TITLE REMARK GAP MODEL ENDMDL . inconsistent sequence lengths in alignmentInternal error: orientation score NaNP2 = o = r1.orientation() = r2.orientation() = kappa_cos_angle(r1.orientation(), r2.orientation()) = sigma = Internal error: res3dscore NaNlogPgap = Pequiv = P1 = Pnotequiv = log(Pnotequiv + Pequiv) = s < 0, s = i = j = 12Score_matrix!@Could not open file BYEENDEXITKILLSTOPProgram terminated by user {REM/ACUTOOrientation cutoff for calculation is now degrees ALIGNNeed two sequences/alignments to align!!! Running TABULATE command... gaps added to make alignment Alignment score is CONSENCutoff is sigma Using default cutoff of ConsensusConsensus of ALIGN has been placed in SEQ2 COPYSEQ1SEQ2STRUCT1STRUCT2OVERcopied ALIGN to SEQ1 copied SEQ1 to SEQ1 copied SEQ2 to SEQ1 copied OVERLAY to SEQ1 copied STRUCT1 to SEQ1 copied STRUCT2 to SEQ1 copied ALIGN to SEQ2 copied SEQ1 to SEQ2 copied SEQ2 to SEQ2 copied OVERLAY to SEQ2 copied STRUCT1 to SEQ2 copied STRUCT2 to SEQ2 copied ALIGN to ALIGN copied SEQ1 to ALIGN copied SEQ2 to ALIGN copied OVERLAY to ALIGN copied STRUCT1 to ALIGN copied STRUCT2 to ALIGN CUTOAtomic distance cutoff for calculation is now Angstroms EPENGap extension penalty is set to standard deviations. EQUIVReassigning equivalences... Total starting equivalences = Total new equivalences = GPENGap penalty is set to LISCUTOFFRUNLENGTHROADSUBOPTIMALOrientation WILL be used in coordinate alignment Orientation will NOT be used in coordinate alignment SEQ1: SEQ2: MATCurrent scoring matrix : BLOSUM62OPTIAt least two sequences required to optimize!! SPLIT %dSPLITing out sequence : reALIGNing: EQUIVALENTFailed to converge in Equivalences converged in Realigning based upon final overlay PLENLine length for PRINT output is now set to characters mysteryprettyOVERLAYIDidOpening file ``'' Wrote atom(s) Percent sequence identities: )RANDCalculating randomization number Mean is Standard deviation is standard deviations above the mean random score READRead in atoms Replaced ALIGN Replaced SEQ1 Replaced SEQ2 and OVERLAY sequence(s) Filename ``'' not found You must specify a filename HILOWMIDDecision strategy is now set to HIGHROAD LOWROAD MIDROAD RANDOM RUNLMinimum equivalence RUNLENGTH is now set to residues Need two sequences to align!!! Running STABULATE command... SEEDRandomization seed is now set to SPLITAt least two sequences required to split!! There is no sequence !! Placing sequence in SEQ1... Placing others in SEQ2... reTABULATEing scores... STABUNeed some alpha carbons to compare! Mean residue alignment score = with a standard deviation of STRUCSTATSNeed some residues to compare! Not enough sequences in ALIGN ---- No atom No matx SUBOPTThe suboptimal alignment factor is now SUPERPSuperposing STRUCT2 onto STRUCT1 STRUCT1 needs at least 4 atoms! STRUCT2 needs at least 4 atoms! ALIGN must have at least 2 sequences to use for overlay! Running ALIGN, to see if this helps... ALIGN must have at least 4 capitalized equivalences! Starting RMS deviation is for equivalent matches. total matches. Transforming STRUCT2... calculating rotation matrix... applying matrix... New RMS deviation is TABUNeed two sequences/alignments to tabulate!!! USEANWEIGHSEQ1, SEQ2, and ALIGN have been Bruns-weighted WRITEFailed to open file ``Unknown command: ``Negative determinant in R.Ill conditioned determinant for Kabsch rotation matrix!Determinant = eigenvalues = , b[] = ( a[end of file before data CSTPAGNDEQHRKMILVFYWcstpagndeqhrkmilvfyw-BLOSUM 62 matrix (PNAS 89:10915)17Comparison_matrixThis function should not be called!!!(has_no_function)No help available SYNONYMS: , SUBCOMMANDS: (Use READ command) Program terminated normally Internal error!!!, unknown register!!! Opening file ... The weight of sequence of register has been set to Cannot make a structure from a sequence!!! Sorry, maybe next version... :) Copied to = SYNTAX ERROR: usage SET !!! SYNTAX ERROR !!! (no filename) !!! Error: unable to open file ``''''... sequence(s), each long. model(s), with a total of atomsMATRIXReading comparison matrix from file ``SYNTAX ERROR: ``'' not understoodSYNTAX ERROR: Usage PRINT ID SYNTAX ERROR: Usage PRINT ID AvgUse WRITE for coordinatesThere are sequences in the register.STRUCTSTATSSYNTAX ERROR: don't know how to print ``SEQUOIA is a tool for the alignment of biological sequences and atomic coordinates.toplevelALIGN aligns the sequences in register SEQ1 with those in SEQ2, and places the result in the ALIGN register Usage: ALIGNCOMMENT[A line starting with COMMENT is ignored.CONSENSUSCONSENSUS generates a consensus sequence based on the contents of ALIGN, and places the result in SEQ2. The determines how many poorly conserved residues will be represented by an `X` character.EQUIVALENCEEQUIVALENCE capitalizes those residue codes in the ALIGN register whose atomic coordinates are structurally equivalent. Others are converted to lower case. EQUIVALENCE is one step in the OVERLAY process. Usage: EQUIVALENCEEQUIVALENCE2EQUIVALENCE capitalizes those residue codes in the ALIGN register whose atomic coordinates are structurally equivalent. Others are converted to lower case. EQUIVALENCE is one step in the OVERLAY process. Usage: EQUIVALENCE2HELP?MANHELP prints documentation about SEQUOIA commands. Usage: HELP EXAMPLE: HELP ALIGN OPTIMIZEOPTIMIZE removes some progressive alignment artifacts from the ALIGN register by reALIGNing each individual sequence in turn OVERLAY iteratively superposes and realigns two coordinate files to convergence. OVERLAY calls the EQUIVALENCE, SUPERPOSE, and SALIGN commands. PRINTPRINT is used to display data from SEQUOIA. PRINT displays the sequence or structure in the register. PRINT MATRIX displays the current comparison matrixPRINT ID displays a table of sequence identity.PRINT MATRIX displays the current comparison matrixQUITHALTQQUIT causes SEQUOIA to terminate.READ is used to load data into SEQUOIA from files. READ loads structure data into a register. READ MATRIX loads a comparison matrix. RANDOMRANDOM calculates alignment scores with one register randomly shuffled. This is used to provide one estimate of alignment significance RUNRUN executes SEQUIOA commands contained in a file.SALIGNSALIGN aligns the sequences in registers SEQ1 with those in SEQ2 based upon the superposed atomic coordinates , and places the result in the ALIGN register Usage: SALIGNSETLETSET assigns a value to a SEQUOIA variable. EXAMPLE: SET GPEN 5.0 SET copies the contents of into EXAMPLE: SET SEQ1 ALIGN SET with no arguments lists the values of all variables. SPLIT divides the sequences in the ALIGN register between SEQ1 and SEQ2 register Usage: SPLIT STABULATESTABULATE computes the score matrix used by the SALIGN command. (This is ordinarily done automatically.)SUPERPOSESUPERPOSE transforms the coordinates in STRUCT2 onto STRUCT1 using the capitalized residues in ALIGN and places the result into OVERLAY SYSTEMSYSTEM executes a command in the local operating system. EXAMPLE: SYSTEM lsTABULATETABULATE computes the score matrix used by the ALIGN command. (This is ordinarily done automatically.)WEIGHTWEIGHT applies a weight to each sequence to compensate for unequal patterns of sequence similarity WRITE is used to create files from SEQUOIA. WRITE creates a sequence or coordinate file. acutoffdcutoffechoepengpenpretty_lengthrandom_seedrunlengthsuboptimaluseangle!!! SYNTAX ERROR !!! (not enough arguments) !!! SYNTAX ERROR !!! (too many (or wrong) arguments) ECHOALIGN register must be current for overlay to work! ALIGN must have at least as many sequences as SEQ1+SEQ2! Transformation matrix is: Aligning sequences... !!! SYNTAX ERROR !!! (need a filename) Opening file Could not open file Running ALIGN command... , variance is Skewness is , Kurtosis is (vs. 1.14,2.4 for EVD)Delta statistics vs. previous run: mean = , variance = , zscore = (BETTER) (WORSE) Score histogram:Alignment score of is E.V.D. lambda = mu = E.V.D. P-value = (not significant) cycles :(Array dimension out of bounds!!Vector self-subtraction size mismatch14Abstract_arrayI16sequoia_variableE14Abstract_arrayI13command_tokenE14Abstract_arrayI8MystringE14Abstract_arrayI12path_elementE7Array2dI12path_elementE14Abstract_arrayI5ArrayI12path_elementEE14Abstract_arrayIP7pdbatomE14Abstract_arrayI10pdbproteinE14Abstract_arrayI7pdbatomE14Abstract_arrayI6SeqResE14Abstract_arrayI4RVecE6MatrixIdE6VectorIS_IdEE14Abstract_arrayI6VectorIdEE6VectorIdE10row_vectorIdE7Array2dIdE14Abstract_arrayI5ArrayIdEE14Abstract_arrayIdE14Abstract_arrayIcEACUTOFFanswer = Eij = Rij = angle = 5ArrayI16sequoia_variableESEQUOIA> SEQUOIA multiple sequence alignment tool version 1.0.1compiled on copyright (c) 1995-2011 by Christopher Bruns, Ph.D. All rights reserved *** Please see http://rotatingpenguin.com/sequoia/ for *** *** proper citation information. *** Sat Sep 3 08:33:11 EDT 2011 on host 'brunsc-lm1.local' by user 'brunsc'8Vector2D?@Y5ArrayI6SeqResE?{Gz?5ArrayIcE4RMat5ArrayI6VectorIdEE5ArrayI7pdbatomE8Vector3D4RVec5ArrayI10pdbproteinE30ill_conditioned_rotation_error5ArrayIS_I12path_elementEE5ArrayI12path_elementEY@cܥL@@@5ArrayI8MystringEf@DT! @5ArrayI4RVecE5ArrayIdE??@?"@@@?@@?@@?@@ @?@@@?@?@?@@@@@??@@???@?@@?@?@@?@??@??@@??@?&@@@@@@ @@@@@@@@@@@@@@@@@@?@@*@?@??@?@@????@@@@@@?$@@?@@?@?@@@@@@?@@@"@?@@?@?@@@@@@@@?@@@??$@?@@?@@???@@@@@@?@@?$@@@?@@@@@@?@?@?@@@@(@?@?@@@@@@@?@@@@??@? @?@@????@@@?@@?@@?@@?"@@@@@@@@@@?@@@?@?@@ @@??@@@@@@@@@?@@?@@@@"@@@@@@@@@@@?@@?@@?@?@$@@@@@@?@@?@@@@?@?@@&@@@@@@?@?@@?@@?@@@@@"@@@@@@@@?@@?@@?@@@@@@"@@@??@@@@@@@@@@@@@@@@ @@@?@@@@@@@@@@@@@@@@@"@@@@@@?@@??@@@@?@@?@@ @?@?@?@@@??@@@??@?.@@@@@@@?@@@@@@?@@@@@@&@?X@PERT! @eA0@ @@>ef?5ArrayI13command_tokenE10pdboverlay.@@$@@N@?5ArrayIS_IdEE10row_vectorI6VectorIdEE)\()\(?-C6?MbP?LAS%џhjhhhhhhhhhuh>hxhnhdhHZhPhFhh4h*h hh ''3C\4%KfyN&8wEUNwp42(K4;T'*B[yp4Glps;lT#*=vo#'!1AZ`p}-@SL}"boggB`__u_,%_]pi_Wm_X QG WP jG  0`yz:`:3yr *yB:Y l|:3yr  `  ,`  `   " q : 2 Q  d  t  2 + q j   X    ' c    X h]ie9'9#cs2;GXicz2   "C<{  t5.tm = Ppf5 8QK.ex @  #6   d A         ~  [ # 8 6  F  2+c\2;GXiiz8+KbuTgzI\|rA$D]W:q L  /B  d A    j G $          a) >< L  %81ib$4N,u4) qUN >>0cNII8K.$40-m~44nOS44nOS'#;4\'#;4\[(9^,,,T'_'_''Ha'#;4\42;f42;f40h9M40h9M4,W5<p'.s4$?zo'27dJ4 bH4 bH'C JA(A(h3jj+jj'C J4,W5<p45BZKs'!<C\'Or'Or'!<C\'*Tf4d(4&>3WA%.J-4M+2f41*g`W'HA[!I7FFF8nN.Kib4.eCJ~A#6MB*#Mu1=ISU"/B;~d"SL}N8KvyA!h~NI|(x=MFxqN)6SL'&-J[/G[s|A/]{A/`'&-JF'iZD%i p2+pfiii1i\uniKi %i4!42tN!*?g#DDDDDDDD-D7le[$ erj}T|4(r\NYlxl %yy[yrjj[jc4*G3`NF/F?n'07P'07P':AZ':AZ'?W'?W$:F|R?^j݂(@oSf_o"od3,d]oooo0C\Uooo9voU~ aq  T d -o=  C S   6 F   )9z:ogzoWno00)oooooo10Wq00&onoo{oo o70oooyoo o5.oo oooo8  8 1 o o$$$7$P$I$$z$o%no%%%%%%%o&bo 'i''8'1'i'b'o'3o()(od)go)6*)*)6*/*o*boU++h++z+++o+wo-------o6.Lo...o.o 0f0050.0f0_0o0go922L2e2^222o2o2515'of55y55555oE6Ro6766676oY7o79C788Cq8C888C9C939,9C9C999C3:CF:_:X:C:C:::C;C<X<h<<GC3?}@@C@CCoZComCCCCCCCo Do5IIHIaIZIIIo)JoX`oX YXXX YYoYoZZZoZo}[[[[[[[o\Po\H]\]]H]A]o]o^V a__/_P_I___ a_ a``` a` aMa'oaaaaaaao5b6bbb?codKeeeeKeDeoee9foLkk_kxkqkkkow7wowhwowtouxxxxxxxoyoyzyyyzyozozzzo;{oN{g{`{o{o{{{og|oz|||o|o})}"}o}o}}}o~_o }o߁o݂ւ?8|i%2jCsi %2jCsi [EXkENZffr5~3FYR#Wg4W5.f_Jv4GZS7I\Uvcvo+1k1k T8;4K^W4  u q-@Stm|!yHz_ j      N   N G  x   )     6     <Oob11*b[unzlqmTTMm<  <5mfyr 4-Y,5AxMJYeq&9LEJCxq6IR[gwIBwp)%.X:-Yj  k  0<TM-&XQ}u;G}_;>>>7}h[0_   /4#?8un4#?8un4#?8unA0Qav A0Qav 4:iGN4:iGNA1*kd'.-=4 p4p4(9VGw'+*O'%@ku7-Pg~F>N*oX&&Y&l~&&&_&r&&&e&x&B&j3} &Po\)9'ok*8y '@9    !:3    4-   2 81o\)9'| yC< < 4< G`Y< < < .< AZS< < < (< ;TM< < Oha< < < 6< Ib[< < < 0< C\U< < < *< ` | i  <L*b }%   '@9    -F?   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