GapMind for Amino acid biosynthesis

 

Alignments for a candidate for metH in Thioalkalivibrio paradoxus ARh 1

Align methionine synthase; EC 2.1.1.13 (characterized)
to candidate WP_006746829.1 THITH_RS15835 methionine synthase

Query= CharProtDB::CH_090726
         (1227 letters)



>NCBI__GCF_000227685.2:WP_006746829.1
          Length = 1254

 Score = 1677 bits (4343), Expect = 0.0
 Identities = 845/1245 (67%), Positives = 998/1245 (80%), Gaps = 27/1245 (2%)

Query: 6    EQLRAQLNERILVLDGGMGTMIQSYRLNEADFRGERFADWPCDLKGNNDLLVLSKPEVIA 65
            + ++  L ERIL+LDGGMGTMIQ YRL EAD+RGERFADW  DLKGNNDLLVL++P+VI 
Sbjct: 5    QPIQQALAERILILDGGMGTMIQEYRLEEADYRGERFADWNSDLKGNNDLLVLTRPDVIQ 64

Query: 66   AIHNAYFEAGADIIETNTFNSTTIAMADYQMESLSAEINFAAAKLARACADEWTARTPEK 125
            AIH  Y EAGADIIETNTFN T IAMADY ME L  E+N  AA++AR  AD WTA+TPEK
Sbjct: 65   AIHGDYLEAGADIIETNTFNGTRIAMADYAMEDLVPELNREAARIAREAADAWTAKTPEK 124

Query: 126  PRYVAGVLGPTNRTASISPDVNDPAFRNITFDGLVAAYRESTKALVEGGADLILIETVFD 185
            PR+VAGVLGPTNRTASISPDVNDP +RN+ FD LVA YRES  AL+EGG DL+LIETVFD
Sbjct: 125  PRFVAGVLGPTNRTASISPDVNDPGYRNVDFDTLVANYRESAAALIEGGVDLLLIETVFD 184

Query: 186  TLNAKAAVFAVKTEFEALGVELPIMISGTITDASGRTLSGQTTEAFYNSLRHAEALTFGL 245
            TLNAKAAVFAV+T F+  G  +P+MISGTITDASGRTLSGQTTEAF+NSLRHA  L+ GL
Sbjct: 185  TLNAKAAVFAVETLFDETGQRVPVMISGTITDASGRTLSGQTTEAFWNSLRHARPLSIGL 244

Query: 246  NCALGPDELRQYVQELSRIAECYVTAHPNAGLPNAFGEYDLDADTMAKQIREWAQAGFLN 305
            NCALGP ELR Y++ELSRIA  +V+AHPNAGLPN FG+YD   + MA +I EWA +GFLN
Sbjct: 245  NCALGPKELRAYIEELSRIANTHVSAHPNAGLPNEFGDYDETPEQMAVEIGEWAASGFLN 304

Query: 306  IVGGCCGTTPQHIAAMSRAVEGLAPRKLPEIPVACRLSGLEPLNIGEDSLFVNVGERTNV 365
            I+GGCCGTTP HI A++ AV+   PR++PEI  ACRLSGLEPLNI EDSLFVNVGERTNV
Sbjct: 305  IIGGCCGTTPDHIRAIAAAVQAHPPRRMPEIAPACRLSGLEPLNITEDSLFVNVGERTNV 364

Query: 366  TGSAKFKRLIKEEKYSEALDVARQQVENGAQIIDINMDEGMLDAEAAMVRFLNLIAGEPD 425
            TGS +F RLI+EE Y  AL+VA+ QVENGAQ+IDINMDEGMLD++AAM RFLNLIAGEPD
Sbjct: 365  TGSKRFARLIREEDYETALEVAKDQVENGAQVIDINMDEGMLDSQAAMQRFLNLIAGEPD 424

Query: 426  IARVPIMIDSSKWDVIEKGLKCIQGKGIVNSISMKEGVDAFIHHAKLLRRYGAAVVVMAF 485
            IARVPIMIDSSKW+++E GLKCIQGKG+VNSIS+KEG + FI  A+L+RRYGAAV+VMAF
Sbjct: 425  IARVPIMIDSSKWEILEAGLKCIQGKGVVNSISLKEGEEKFIEQARLVRRYGAAVIVMAF 484

Query: 486  DEQGQADTRARKIEICRRAYKILTEEVGFPPEDIIFDPNIFAVATGIEEHNNYAQDFIGA 545
            DEQGQADT  RK+EIC RAY+ILTE +GFP ED+IFDPNIFA+ATGIEEH+NY  DFI A
Sbjct: 485  DEQGQADTAERKLEICTRAYQILTERIGFPAEDVIFDPNIFAIATGIEEHDNYGVDFIEA 544

Query: 546  CEDIKRELPHALISGGVSNVSFSFRGNDPVREAIHAVFLYYAIRNGMDMGIVNAGQLAIY 605
               IK  LPHALISGGVSNVSFSFRGN+PVREAIHAVFLY+AI  GMDMGIVNAGQLA+Y
Sbjct: 545  TRAIKERLPHALISGGVSNVSFSFRGNEPVREAIHAVFLYHAIHAGMDMGIVNAGQLAVY 604

Query: 606  DDLPAELRDAVEDVILNRRDDGTERLLELAEKYRGSKTDDTANAQQAEWRSWEVNKRLEY 665
            D++  EL++AVEDV+LNRR D TERLL+LAE+YRGS     A  +  EWRSW V KRLE+
Sbjct: 605  DEIEPELKEAVEDVVLNRRSDATERLLDLAERYRGS--GGAAKKEDLEWRSWPVAKRLEH 662

Query: 666  SLVKGITEFIEQDTEEARQQATRPIEVIEGPLMDGMNVVGDLFGEGKMFLPQVVKSARVM 725
            SLVKGI  ++ +DTEEAR +A RPI VIEGPLMDGMNVVGDLFGEGKMFLPQVVKSARVM
Sbjct: 663  SLVKGIDSYVVEDTEEARLEAERPIHVIEGPLMDGMNVVGDLFGEGKMFLPQVVKSARVM 722

Query: 726  KQAVAYLEPFIEASKEQ-GKTNGKMVIATVKGDVHDIGKNIVGVVLQCNNYEIVDLGVMV 784
            K+AVA+L PFIEA K   G+ NG++++ATVKGDVHDIGKNIVGVVLQCNN+E++DLGVMV
Sbjct: 723  KKAVAHLIPFIEAEKSGCGENNGRILMATVKGDVHDIGKNIVGVVLQCNNFEVIDLGVMV 782

Query: 785  PAEKILRTAKEVNADLIGLSGLITPSLDEMVNVAKEMERQGFTIPLLIGGATTSKAHTAV 844
            PA+KIL TA+E N D+IGLSGLITPSL+EM +VA EM+RQGF  PLLIGGATTS+AHTAV
Sbjct: 783  PAQKILETAREKNVDVIGLSGLITPSLEEMAHVAAEMQRQGFDTPLLIGGATTSRAHTAV 842

Query: 845  KIEQNY-SGPTVYVQNASRTVGVVAALLSDTQRDDFVARTRKEYETVRIQHGRKKPRTPP 903
            KIE NY +GP V+V++ASR VGV  +L+S   +  +  +TR EY  +R     +K R   
Sbjct: 843  KIEPNYGAGPVVWVKDASRAVGVAQSLISPELKGPYAEKTRAEYAQLRESLAGRKQRIHW 902

Query: 904  VTLEAARDNDFAFDWQAY-------------TPPVAHRL---GVQEV-----EASIETLR 942
            + LE AR N    DW++Y              PP   RL   G   V     +  +  + 
Sbjct: 903  LGLEQARANRPQIDWESYRPVRPRALDPDFPLPPGVTRLQPYGPDSVLLRFDDFDVREVA 962

Query: 943  NYIDWTPFFMTWSLAGKYPRILEDEVVGVEAQRLFKDANDMLDKLSAEKTLNPRGVVGLF 1002
             +IDWTPFF +W L   YPRIL+DEVVG EA++LF DA  ML+++  E  +  RGVVGLF
Sbjct: 963  RFIDWTPFFHSWQLHAAYPRILDDEVVGAEARKLFDDAQKMLERMIDEGWVRLRGVVGLF 1022

Query: 1003 PANRVG-DDIEIYRDETRTHVINVSHHLRQQTEK-TGFANYCLADFVAPKLSGKADYIGA 1060
            PAN V  DDIE+YRDE R+ VI   HHLRQQ +K  G  ++ LADFVAP+ +G  D++GA
Sbjct: 1023 PANSVEFDDIEVYRDEARSEVITRLHHLRQQAQKRRGTPSHSLADFVAPRETGVPDWMGA 1082

Query: 1061 FAVTGGLEEDALADAFEAQHDDYNKIMVKALADRLAEAFAEYLHERVRKVYWGYAPNENL 1120
            FAV+ G E DA A AFE  HDDY+ I+VK+LADRLAEAFAE +H+RVR+ +WGYAP+E+L
Sbjct: 1083 FAVSAGGEVDARAKAFEDAHDDYHAILVKSLADRLAEAFAEAMHQRVRREFWGYAPDEDL 1142

Query: 1121 SNEELIRENYQGIRPAPGYPACPEHTEKATIWELLEVEKHTGMKLTESFAMWPGASVSGW 1180
             N++LI+E Y GIRPAPGYPACPEHTEK  +WEL++  +H GM LTES+AM P ++VSGW
Sbjct: 1143 GNDDLIQERYTGIRPAPGYPACPEHTEKGLLWELIDPVEHAGMTLTESYAMLPVSAVSGW 1202

Query: 1181 YFSHPDSKYYAVAQIQRDQVEDYARRKGMSVTEVERWLAPNLGYD 1225
            Y +HP S+Y+ + +I RDQVEDYARRKG S+ E ERWLAPNLGYD
Sbjct: 1203 YMAHPQSRYFGLGKINRDQVEDYARRKGWSMDEAERWLAPNLGYD 1247


Lambda     K      H
   0.318    0.134    0.391 

Gapped
Lambda     K      H
   0.267   0.0410    0.140 


Matrix: BLOSUM62
Gap Penalties: Existence: 11, Extension: 1
Number of Sequences: 1
Number of Hits to DB: 4024
Number of extensions: 177
Number of successful extensions: 7
Number of sequences better than 1.0e-02: 1
Number of HSP's gapped: 1
Number of HSP's successfully gapped: 1
Length of query: 1227
Length of database: 1254
Length adjustment: 48
Effective length of query: 1179
Effective length of database: 1206
Effective search space:  1421874
Effective search space used:  1421874
Neighboring words threshold: 11
Window for multiple hits: 40
X1: 16 ( 7.3 bits)
X2: 38 (14.6 bits)
X3: 64 (24.7 bits)
S1: 41 (21.7 bits)
S2: 59 (27.3 bits)

Align candidate WP_006746829.1 THITH_RS15835 (methionine synthase)
to HMM TIGR02082 (metH: methionine synthase (EC 2.1.1.13))

# hmmsearch :: search profile(s) against a sequence database
# HMMER 3.3.1 (Jul 2020); http://hmmer.org/
# Copyright (C) 2020 Howard Hughes Medical Institute.
# Freely distributed under the BSD open source license.
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
# query HMM file:                  ../tmp/path.aa/TIGR02082.hmm
# target sequence database:        /tmp/gapView.12845.genome.faa
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -

Query:       TIGR02082  [M=1182]
Accession:   TIGR02082
Description: metH: methionine synthase
Scores for complete sequences (score includes all domains):
   --- full sequence ---   --- best 1 domain ---    -#dom-
    E-value  score  bias    E-value  score  bias    exp  N  Sequence                                 Description
    ------- ------ -----    ------- ------ -----   ---- --  --------                                 -----------
          0 1775.0   0.0          0 1774.7   0.0    1.0  1  lcl|NCBI__GCF_000227685.2:WP_006746829.1  THITH_RS15835 methionine synthas


Domain annotation for each sequence (and alignments):
>> lcl|NCBI__GCF_000227685.2:WP_006746829.1  THITH_RS15835 methionine synthase
   #    score  bias  c-Evalue  i-Evalue hmmfrom  hmm to    alifrom  ali to    envfrom  env to     acc
 ---   ------ ----- --------- --------- ------- -------    ------- -------    ------- -------    ----
   1 ! 1774.7   0.0         0         0       2    1181 ..      12    1213 ..      11    1214 .. 0.97

  Alignments for each domain:
  == domain 1  score: 1774.7 bits;  conditional E-value: 0
                                 TIGR02082    2 nkrilvlDGamGtqlqsanLteadFrge.eadlarelkGnndlLnltkPeviaaihrayfeaGaDiv 67  
                                                 +ril+lDG+mGt++q ++L+ead+rge +ad++++lkGnndlL+lt+P+vi+aih +y+eaGaDi+
  lcl|NCBI__GCF_000227685.2:WP_006746829.1   12 AERILILDGGMGTMIQEYRLEEADYRGErFADWNSDLKGNNDLLVLTRPDVIQAIHGDYLEAGADII 78  
                                                68***************************************************************** PP

                                 TIGR02082   68 etntFnsteialadYdledkayelnkkaaklarevadeft.ltpekkRfvaGslGPtnklatlspdv 133 
                                                etntFn+t ia+adY +ed++ eln++aa++are+ad +t +tpek+RfvaG+lGPtn++a++spdv
  lcl|NCBI__GCF_000227685.2:WP_006746829.1   79 ETNTFNGTRIAMADYAMEDLVPELNREAARIAREAADAWTaKTPEKPRFVAGVLGPTNRTASISPDV 145 
                                                ******************************************************************* PP

                                 TIGR02082  134 erpefrnvtydelvdaYkeqvkglldGGvDllLietvfDtlnakaalfaveevfeekgrelPilisg 200 
                                                ++p++rnv++d+lv+ Y+e++ +l++GGvDllLietvfDtlnakaa+fave++f+e g+++P++isg
  lcl|NCBI__GCF_000227685.2:WP_006746829.1  146 NDPGYRNVDFDTLVANYRESAAALIEGGVDLLLIETVFDTLNAKAAVFAVETLFDETGQRVPVMISG 212 
                                                ******************************************************************* PP

                                 TIGR02082  201 vivdksGrtLsGqtleaflaslehaeililGLnCalGadelrefvkelsetaealvsviPnaGLPna 267 
                                                +i+d+sGrtLsGqt+eaf +sl+ha  l++GLnCalG++elr +++els++a++ vs++PnaGLPn+
  lcl|NCBI__GCF_000227685.2:WP_006746829.1  213 TITDASGRTLSGQTTEAFWNSLRHARPLSIGLNCALGPKELRAYIEELSRIANTHVSAHPNAGLPNE 279 
                                                ******************************************************************* PP

                                 TIGR02082  268 lgeYdltpeelakalkefaeegllnivGGCCGttPehiraiaeavkdikprkrqeleeksvlsglea 334 
                                                +g+Yd+tpe++a ++ e+a+ g+lni+GGCCGttP+hiraia+av+   pr+++e+ ++++lsgle+
  lcl|NCBI__GCF_000227685.2:WP_006746829.1  280 FGDYDETPEQMAVEIGEWAASGFLNIIGGCCGTTPDHIRAIAAAVQAHPPRRMPEIAPACRLSGLEP 346 
                                                ******************************************************************* PP

                                 TIGR02082  335 lkiaqessfvniGeRtnvaGskkfrklikaedyeealkiakqqveeGaqilDinvDevllDgeadmk 401 
                                                l+i+++s fvn+GeRtnv+Gsk+f++li++edye al++ak+qve+Gaq++Din+De++lD++a+m+
  lcl|NCBI__GCF_000227685.2:WP_006746829.1  347 LNITEDSLFVNVGERTNVTGSKRFARLIREEDYETALEVAKDQVENGAQVIDINMDEGMLDSQAAMQ 413 
                                                ******************************************************************* PP

                                 TIGR02082  402 kllsllasepdiakvPlmlDssefevleaGLkviqGkaivnsislkdGeerFlekaklikeyGaavv 468 
                                                ++l+l+a+epdia+vP+m+Dss++e+leaGLk+iqGk++vnsislk+Gee+F+e+a+l+++yGaav+
  lcl|NCBI__GCF_000227685.2:WP_006746829.1  414 RFLNLIAGEPDIARVPIMIDSSKWEILEAGLKCIQGKGVVNSISLKEGEEKFIEQARLVRRYGAAVI 480 
                                                ******************************************************************* PP

                                 TIGR02082  469 vmafDeeGqartadkkieiakRayklltekvgfppediifDpniltiatGieehdryaidfieaire 535 
                                                vmafDe+Gqa+ta++k+ei++Ray++lte++gfp+ed+ifDpni++iatGieehd+y++dfiea+r 
  lcl|NCBI__GCF_000227685.2:WP_006746829.1  481 VMAFDEQGQADTAERKLEICTRAYQILTERIGFPAEDVIFDPNIFAIATGIEEHDNYGVDFIEATRA 547 
                                                ******************************************************************* PP

                                 TIGR02082  536 ikeelPdakisgGvsnvsFslrgndavRealhsvFLyeaikaGlDmgivnagklavyddidkelrev 602 
                                                ike+lP+a isgGvsnvsFs+rgn++vRea+h+vFLy+ai+aG+Dmgivnag+lavyd+i++el+e+
  lcl|NCBI__GCF_000227685.2:WP_006746829.1  548 IKERLPHALISGGVSNVSFSFRGNEPVREAIHAVFLYHAIHAGMDMGIVNAGQLAVYDEIEPELKEA 614 
                                                ******************************************************************* PP

                                 TIGR02082  603 vedlildrrreatekLlelaelykgtkeksskeaqeaewrnlpveeRLeralvkGeregieedleea 669 
                                                ved++l+rr++ate+Ll+lae+y+g   +  ++++  ewr++pv +RLe++lvkG+ +++ ed+eea
  lcl|NCBI__GCF_000227685.2:WP_006746829.1  615 VEDVVLNRRSDATERLLDLAERYRGSGGA--AKKEDLEWRSWPVAKRLEHSLVKGIDSYVVEDTEEA 679 
                                                ***************************99..556889****************************** PP

                                 TIGR02082  670 rkklkapleiiegpLldGmkvvGdLFGsGkmfLPqvvksarvmkkavayLePylekekeed.kskGk 735 
                                                r ++++p+++iegpL+dGm+vvGdLFG+GkmfLPqvvksarvmkkava+L+P++e+ek+   +++G+
  lcl|NCBI__GCF_000227685.2:WP_006746829.1  680 RLEAERPIHVIEGPLMDGMNVVGDLFGEGKMFLPQVVKSARVMKKAVAHLIPFIEAEKSGCgENNGR 746 
                                                **********************************************************875599*** PP

                                 TIGR02082  736 ivlatvkGDvhDiGknivdvvLscngyevvdlGvkvPvekileaakkkkaDviglsGLivksldemv 802 
                                                i++atvkGDvhDiGkniv+vvL+cn++ev+dlGv+vP++kile+a++k+ DviglsGLi++sl+em+
  lcl|NCBI__GCF_000227685.2:WP_006746829.1  747 ILMATVKGDVHDIGKNIVGVVLQCNNFEVIDLGVMVPAQKILETAREKNVDVIGLSGLITPSLEEMA 813 
                                                ******************************************************************* PP

                                 TIGR02082  803 evaeemerrgvkiPlllGGaalskahvavkiaekY.kgevvyvkdaseavkvvdkllsekkkaeele 868 
                                                +va em+r+g+++Pll+GGa++s+ah+avki+++Y  g+vv+vkdas+av v+++l+s + k +++e
  lcl|NCBI__GCF_000227685.2:WP_006746829.1  814 HVAAEMQRQGFDTPLLIGGATTSRAHTAVKIEPNYgAGPVVWVKDASRAVGVAQSLISPELKGPYAE 880 
                                                ***********************************5589**************************** PP

                                 TIGR02082  869 kikeeyeeirekfgekkeklialsekaarkevfaldrse....................dlevpapk 915 
                                                k+++ey ++re+   +k++++ l +++ar ++ ++d+++                     l++  p 
  lcl|NCBI__GCF_000227685.2:WP_006746829.1  881 KTRAEYAQLRESLAGRKQRIHWLGLEQARANRPQIDWESyrpvrpraldpdfplppgvtRLQPYGPD 947 
                                                **************************************99999999885555554433222222222 PP

                                 TIGR02082  916 flGtkvleas.ieellkyiDwkalFvqWelrgkypkilkdeleglearklfkdakelldklsaekll 981 
                                                 +    +++  + e+  +iDw+++F +W+l+  yp+il+de++g+earklf+da+++l++++ e+ +
  lcl|NCBI__GCF_000227685.2:WP_006746829.1  948 SVL-LRFDDFdVREVARFIDWTPFFHSWQLHAAYPRILDDEVVGAEARKLFDDAQKMLERMIDEGWV 1013
                                                222.23455579******************************************************* PP

                                 TIGR02082  982 rargvvGlfPaqsvg.ddieiytdetvsqetkpiatvrekleqlrqqsdr.ylclaDfiaskesGik 1046
                                                r rgvvGlfPa+sv+ ddie+y+de++    ++i+ +++ ++q+++ ++    +laDf+a++e+G  
  lcl|NCBI__GCF_000227685.2:WP_006746829.1 1014 RLRGVVGLFPANSVEfDDIEVYRDEAR---SEVITRLHHLRQQAQKRRGTpSHSLADFVAPRETGVP 1077
                                                ************8755**********9...55555555556777777776899************** PP

                                 TIGR02082 1047 DylgallvtaglgaeelakkleakeddydsilvkaladrlaealaellhervRkelwgyaeeenldk 1113
                                                D++ga++v+ag ++++ ak++e+ +ddy++ilvk+ladrlaea+ae +h+rvR+e+wgya +e+l +
  lcl|NCBI__GCF_000227685.2:WP_006746829.1 1078 DWMGAFAVSAGGEVDARAKAFEDAHDDYHAILVKSLADRLAEAFAEAMHQRVRREFWGYAPDEDLGN 1144
                                                ******************************************************************* PP

                                 TIGR02082 1114 edllkerYrGirpafGYpacPdhtekatlleLleaer.iGlklteslalaPeasvsglyfahpeakY 1179
                                                +dl++erY Girpa+GYpacP+htek  l+eL+++ +  G++ltes+a+ P ++vsg+y+ahp+++Y
  lcl|NCBI__GCF_000227685.2:WP_006746829.1 1145 DDLIQERYTGIRPAPGYPACPEHTEKGLLWELIDPVEhAGMTLTESYAMLPVSAVSGWYMAHPQSRY 1211
                                                *********************************97555***************************** PP

                                 TIGR02082 1180 fa 1181
                                                f 
  lcl|NCBI__GCF_000227685.2:WP_006746829.1 1212 FG 1213
                                                *5 PP



Internal pipeline statistics summary:
-------------------------------------
Query model(s):                            1  (1182 nodes)
Target sequences:                          1  (1254 residues searched)
Passed MSV filter:                         1  (1); expected 0.0 (0.02)
Passed bias filter:                        1  (1); expected 0.0 (0.02)
Passed Vit filter:                         1  (1); expected 0.0 (0.001)
Passed Fwd filter:                         1  (1); expected 0.0 (1e-05)
Initial search space (Z):                  1  [actual number of targets]
Domain search space  (domZ):               1  [number of targets reported over threshold]
# CPU time: 0.11u 0.04s 00:00:00.15 Elapsed: 00:00:00.15
# Mc/sec: 9.61
//
[ok]

This GapMind analysis is from Apr 10 2024. The underlying query database was built on Apr 09 2024.

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About GapMind

Each pathway is defined by a set of rules based on individual steps or genes. Candidates for each step are identified by using ublast (a fast alternative to protein BLAST) against a database of manually-curated proteins (most of which are experimentally characterized) or by using HMMer with enzyme models (usually from TIGRFam). Ublast hits may be split across two different proteins.

A candidate for a step is "high confidence" if either:

where "other" refers to the best ublast hit to a sequence that is not annotated as performing this step (and is not "ignored").

Otherwise, a candidate is "medium confidence" if either:

Other blast hits with at least 50% coverage are "low confidence."

Steps with no high- or medium-confidence candidates may be considered "gaps." For the typical bacterium that can make all 20 amino acids, there are 1-2 gaps in amino acid biosynthesis pathways. For diverse bacteria and archaea that can utilize a carbon source, there is a complete high-confidence catabolic pathway (including a transporter) just 38% of the time, and there is a complete medium-confidence pathway 63% of the time. Gaps may be due to:

GapMind relies on the predicted proteins in the genome and does not search the six-frame translation. In most cases, you can search the six-frame translation by clicking on links to Curated BLAST for each step definition (in the per-step page).

For more information, see:

If you notice any errors or omissions in the step descriptions, or any questionable results, please let us know

by Morgan Price, Arkin group, Lawrence Berkeley National Laboratory