I got the following error:
First pdb file contains multiple residues with number 90 in chain A.
I tried to run the example on
and i think i did something wrong at step Adding a phosphate group.
file e2aP_1F3G.pdb contains
ATOM 523 CB VAL A 89 26.293 32.602 41.041 1.00 30.61 A C
ATOM 524 CG1 VAL A 89 26.537 33.582 42.183 1.00 19.30 A C
ATOM 525 CG2 VAL A 89 25.783 33.312 39.790 1.00 23.07 A C
ATOM 526 NEP HIS A 90 29.222 31.411 42.444 1.00 24.26 A N
ATOM 527 NEP HIS A 90 29.764 30.649 43.561 1.00 16.72 A C
ATOM 528 NEP HIS A 90 30.105 31.485 44.721 1.00 21.11 A C
ATOM 529 NEP HIS A 90 31.004 32.267 44.623 1.00 33.66 A O
ATOM 530 NEP HIS A 90 31.122 30.078 43.080 1.00 12.71 A C
ATOM 531 NEP HIS A 90 31.756 29.127 44.015 1.00 16.06 A C
ATOM 532 NEP HIS A 90 31.552 27.807 44.174 1.00 15.92 A C
ATOM 533 NEP HIS A 90 32.733 29.532 44.888 1.00 20.53 A N
ATOM 534 NEP HIS A 90 33.090 28.459 45.555 1.00 25.30 A C
ATOM 535 NEP HIS A 90 32.380 27.416 45.168 1.00 14.74 A N
ATOM 536 N PHE A 91 29.442 31.280 45.839 1.00 34.77 A N
ATOM 537 CA PHE A 91 29.736 32.094 46.998 1.00 15.09 A C
ATOM 538 C PHE A 91 30.991 31.721 47.748 1.00 18.12 A C
Did i change the name of histidine 90 to NEP correctly?