A brief instruction for running TM-score program:
(For detail, please see
Y Zhang, J Skolnick, Proteins, 2004 57: 702)
You can obtain the same instruction information by running TM-score program without argument.
./TMscore
Brief instruction for running TM-score program:
(For detail: Zhang & Skolnick, Proteins, 2004 57:702-10)
1. Run TM-score to compare 'model' and 'native':
>TMscore model native
2. Run TM-score to compare two complex structures with multiple chains
(Compare all chains with the same chain identifier)
>TMscore -c model native
3. TM-score normalized with an assigned scale d0 e.g. 5 A:
>TMscore model native -d 5
4. TM-score normalized by a specific length, e.g. 120 AA:
>TMscore model native -l 120
5. TM-score with superposition output, e.g. 'TM.sup':
>TMscore model native -o TM.sup
To view superimposed CA-traces by rasmol or pymol:
>rasmol -script TM.sup
>pymol -d @TM.sup.p
To view superimposed atomic models:
>rasmol -script TM.sup_atm
>pymol -d @TM.sup_atm.p
6. Run TM-score based on sequence alignment:
(This option is only available for C++ version)
>TMscore -seq model native
Following is an example of running TM-score
./TMscore CA1 CA2
*****************************************************************************
* TM-SCORE *
* A scoring function to assess the similarity of protein structures *
* Based on statistics: *
* 0.0 < TM-score < 0.17, random structural similarity *
* 0.5 < TM-score < 1.00, in about the same fold *
* Reference: Yang Zhang and Jeffrey Skolnick, Proteins 2004 57: 702-710 *
* For comments, please email to: zhng@umich.edu *
*****************************************************************************
Structure1: CA1 Length= 71
Structure2: CA2 Length= 73 (by which all scores are normalized)
Number of residues in common= 48
RMSD of the common residues= 9.411
TM-score = 0.1480 (d0= 3.00, TM10= 0.1381)
MaxSub-score= 0.1200 (d0= 3.50)
GDT-TS-score= 0.1781 %(d<1)=0.0685 %(d<2)=0.0959 %(d<4)=0.1781 %(d<8)=0.3699
GDT-HA-score= 0.0993 %(d<0.5)=0.0548 %(d<1)=0.0685 %(d<2)=0.0959 %(d<4)=0.1781
-------- rotation matrix to rotate Chain-1 to Chain-2 ------
i t(i) u(i,1) u(i,2) u(i,3)
1 78.1528787301 0.8174539741 0.0854100234 -0.5696263058
2 60.9313941247 -0.2092588735 -0.8773351248 -0.4318492822
3 59.6572072642 -0.5366374234 0.4722162710 -0.6993082791
Superposition in the TM-score: Length(d<5.0)= 14 RMSD= 2.80
(":" denotes the residue pairs of distance < 5.0 Angstrom)
------------------------AAKFESNFNT-QATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSD
::: ::::: ::: :::
LRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGI-----------------------
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