Table 2

Comparison of prediction of helix orientation for structure-based and computationally predicted helices in Leu transporter LeuTAa from Aquifex aeolicus (PDB ID: 2A65).

TM Helix
Source
First Residue Number
TM helix sequence
LIPS prediction

1
Struct
15
        ILAMAGNAVGLGNFLRFPVQ
Buried

TMHMM
7
HWATRLGLILAMAGNAVGLGNF      

2
Struct
41
  GAFMIPYIIAFLLVGIPLMW 
Correct

TMHMM
39
GGGAFMIPYIIAFLLVGIPLMWI
Correct
3
Struct
92
   ILGVFGLWIPLVVAIYYVYIESWTLGFAIK
Correct

TMHMM
89
FAKILGVFGLWIPLVVAIYYVYI          
Correct
4
Struct
166
 LFAYIVFLITMFINVSILI   
Correct

TMHMM
165
SLFAYIVFLITMFINVSILIRGI
2nd best
5
Struct
193
RFAKIAMPTLFILAVFLVIR    
Wrong

TMHMM
194
 FAKIAMPTLFILAVFLVIRVFLL
Wrong
6
Struct
241
PGVWIAAVGQIFFTLSLGFGAI   
Buried

TMHMM
243
  VWIAAVGQIFFTLSLGFGAIITY

7
Struct
279
GLTAATLNEKAEVILGGSI                  
Correct

TMHMM
293
              LGGSISIPAAVAFFGVANAVAIA
*
8
Struct
342
       FLWFFLLFFAGLTSSIAIMQPMI
Correct

TMHMM
335
AGGTFLGFLWFFLLFFAGLTSSI       
Correct
9
Struct
379
 VLWTAAIVFFSAHLVMFL
Wrong

TMHMM
378
AVLWTAAIVFFSAHLVMF 
Correct
10
Struct
398
KSLDEMDFWAGTIGVVFFGLTELI      
Correct

TMHMM
405
       FWAGTIGVVFFGLTELIIFFWIF
Correct
11
Struct
450
   YVMRYITPAFLAVLLVVWAREYI
Correct

TMHMM
447
IYYYVMRYITPAFLAVLLVVWAR   
Correct
12
Struct
482
TVWITRFYIIGLFLFLTF    
2nd best

TMHMM
484
  WITRFYIIGLFLFLTFLVFL
2nd best

* Predicted and structure-based TM helices have little overlap.

Adamian and Liang BMC Structural Biology 2006 6:13   doi:10.1186/1472-6807-6-13