Superimpose structures

[Menu-bar>Align] Two protein structures can be superimposed three-dimensionally using C-alpha coordinates so that they are oriented in 3D-space in the same way. The mobile protein and the reference protein[s] are selected by the user. The user can specify a superposition method Superimpose_TM_align. Pressing ChButton#BUTTON_GO finds an optimal rotation/translation that minimizes the square root mean distance (RMSD) between C-alpha atoms of both proteins. The result is displayed in a preview panel. Only after pressing DialogSuperimpose3D#BUT_LAB_Apply this transformation is applied to the mobile protein whereas the target protein remains unchanged. When the alignment is saved the transformation of the superimposed protein will be written to HD. These files are found int "./gaps/" and have the suffix ".3dTrans".

Residue subset Usually the entire protein structures are used, but the calculation can also be confined to a subset of residues such as "10-100,120-150".

Highlighting structurally equivalent residues: Superposition can facilitate the alignment of proteins when the 3D-structures are similar while their sequence are not due to divergent evolution (see 7373651). With the Identify residues with certain structural features ... all residues adjacent to the cursor position can be highlighted.

Writing PDB-files in new coordinates: See Export protein in different format ....

Related sites: http://www.cgl.ucsf.edu/home/meng/grpmt/structalign-content.html