A brief instruction for running TM-align program:

(For detail, please see Y Zhang, J Skolnick, Nucleic Acids Research, 2005 33: 2302)


Brief instruction (you can obtain the same information by running TM-align program without argument)

    1. Align 'chain_1.pdb' and 'chain_2.pdb': >TMalign chain_1.pdb chain_2.pdb 2. Ask TM-align to start with an alignment specified in fasta file 'align.txt': >TMalign chain_1.pdb chain_2.pdb -i align.txt 3. Output the superposition to 'TM.sup', 'TM.sup_all' and 'TM.sup_atm': >TMalign chain_1.pdb chain_2.pdb -o TM.sup To view superimposed C-alpha traces of aligned regions by rasmol: >rasmol -script TM.sup To view superimposed C-alpha traces of all regions by rasmol: >rasmol -script TM.sup_all To view superimposed full-atom structures of all regions by rasmol: >rasmol -script TM.sup_atm 4. There are two TM-scores reported. You should use the one normalized by the length of the protein you are interested in. If you want TM-score normalized by the average length of two proteins: >TMalign chain_1.pdb chain_2.pdb -a or TM-score normalized by an assigned length (>L_min), e.g. 100 AA: >TMalign chain_1.pdb chain_2.pdb -L 100 If you want TM-score scaled by an assigned d0, e.g. 5 A: >TMalign chain_1.pdb chain_2.pdb -d 5 5. Output TM-align rotation matrix: >TMalign chain_1.pdb chain_2.pdb -m matrix.txt
An example of running TM-align in Linux system:
    ./TMalign model1.pdb model2.pdb ************************************************************************** * TM-align (Version 20120419): A protein structural alignment algorithm * * Reference: Y Zhang and J Skolnick, Nucl Acids Res 33, 2302-9 (2005) * * Please email your comments and suggestions to: zhng@umich.edu * ************************************************************************** Name of Chain_1: model1.pdb Name of Chain_2: model2.pdb Length of Chain_1: 97 residues Length of Chain_2: 89 residues Aligned length= 85, RMSD= 2.92, Seq_ID=n_identical/n_aligned= 0.071 TM-score= 0.61968 (if normalized by length of Chain_1) TM-score= 0.65866 (if normalized by length of Chain_2) (You should use TM-score normalized by length of the reference protein) (":" denotes aligned residue pairs of d < 5.0 A, "." denotes other aligned residues) TNQKTKELSNLIETFAEQSRVLEKECTKIGSK----RDSKELRYKIETELIPNCTSVRDKIESNILIHQNGKLSADFKNLKTKYQSLQQSYNQRKSLFPLK . :::::::::::::::::::::.:: .:::::::::: :::::::::::::::::...::: ::: ::::::::::::::::::::::. -----E--DPFQQVVKDTKEQLNRINNYITRHNTADDQEEEIQDILK-DVEETIVDLDRSIIVMKRDENED-VSG-REAQVKNIKQQLDALKLRFDRRI--
An example of running TM-align starting with specific alignment:
    (In case that TM-align does not generate the optimal alignment, assigning an appropriate alignment can improve the final alignment results of TM-align, as shown in the example below)
    ./TMalign model1.pdb model2.pdb -i align.txt
    
     **************************************************************************
     * TM-align (Version 20120419): A protein structural alignment algorithm  *
     * Reference: Y Zhang and J Skolnick, Nucl Acids Res 33, 2302-9 (2005)    *
     * Please email your comments and suggestions to: zhng@umich.edu          *
     **************************************************************************
    
    Name of Chain_1: model1.pdb                                     
    Name of Chain_2: model2.pdb                                     
    Length of Chain_1:   97 residues
    Length of Chain_2:   89 residues
    User-specified initial alignment: TM/Lali/rmsd= 0.66740,   81,  2.116
    
    Aligned length=   82, RMSD=   2.01, Seq_ID=n_identical/n_aligned= 0.136
    TM-score= 0.69535 (if normalized by length of Chain_1)
    TM-score= 0.70780 (if normalized by length of Chain_2)
    (You should use TM-score normalized by length of the reference protein)
    
    (":" denotes aligned residue pairs of d < 5.0 A, "." denotes other aligned residues)
    TNQKTKELSNLIETFAEQSRVLEKECTKIGSKRDSKELR-YKIETELIPNCTSVRDKIESN-I-LIH-----QNGKLSADFKNLKTKYQSLQQSYNQRKSLFPLK
        :::::::::::::::::::::::::::   .: :: ::::: ::::::::::::::: : ::      :::::::::::::::::::::::::::      
    ----EDPFQQVVKDTKEQLNRINNYITRHNT---AD-DQEEEIQD-ILKDVEETIVDLDRSIIVMK-RDENEDVSGREAQVKNIKQQLDALKLRFDRRI------
    

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