Details
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Type: Bug
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Status: Open
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Priority: Major
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Resolution: Unresolved
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Affects Version/s: 2.11.2
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Fix Version/s: None
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Component/s: chimerax, Structures
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Labels:None
Description
The match command in ChimeraX can report the final alignment when the "verbose true" switch is provided (see output below). Jalview could offer a 'align structures with MatchMaker' option that executes the command for selected sequences/regions, imports the resulting alignment and induces an alignment of associated sequences according to the sequence/structure mapping and the matched residues.
matchmaker #2/A to #1/A verbose true
Parameters
Chain pairing bb
Alignment algorithm Needleman-Wunsch
Similarity matrix BLOSUM-62
SS fraction 0.3
Gap open (HH/SS/other) 18/18/6
Gap extend 1
SS matrix
H S O
H 6 -9 -6
S 6 -6
O 4
Iteration cutoff 2
Matchmaker 4ZHP, chain A (#1) with 1A70, chain A (#2), sequence alignment score = 401.4
RMSD between 95 pruned atom pairs is 0.530 angstroms; (across all 97 pairs: 0.980)
Sequences:
4ZHP, chain A MASYKVKLITPDGPIEFECPDDVYILDQAEEEGHDLPYSCRAGSCSSCAGKVTAGTVDQSDGKFLDDDQEAAGFVLTCVAYPKCDVTIETHKEEELTALEHHHHHH
1A70, chain A .AAYKVTLVTPTGNVEFQCPDDVYILDAAEEEGIDLPYSCRAGSCSSCAGKLKTGSLNQDDQSFLDDDQIDEGWVLTCAAYPVSDVTIETHKKEELTA........
Residues:
None, 4ZHP #1/A ALA 2, 4ZHP #1/A SER 3, 4ZHP #1/A TYR 4, 4ZHP #1/A LYS 5, 4ZHP #1/A VAL 6, 4ZHP #1/A LYS 7, 4ZHP #1/A LEU 8, 4ZHP #1/A ILE 9, 4ZHP #1/A THR 10, 4ZHP #1/A PRO 11, 4ZHP #1/A ASP 12, 4ZHP #1/A GLY 13, 4ZHP #1/A PRO 14, 4ZHP #1/A ILE 15, 4ZHP #1/A GLU 16, 4ZHP #1/A PHE 17, 4ZHP #1/A GLU 18, 4ZHP #1/A CYS 19, 4ZHP #1/A PRO 20, 4ZHP #1/A ASP 21, 4ZHP #1/A ASP 22, 4ZHP #1/A VAL 23, 4ZHP #1/A TYR 24, 4ZHP #1/A ILE 25, 4ZHP #1/A LEU 26, 4ZHP #1/A ASP 27, 4ZHP #1/A GLN 28, 4ZHP #1/A ALA 29, 4ZHP #1/A GLU 30, 4ZHP #1/A GLU 31, 4ZHP #1/A GLU 32, 4ZHP #1/A GLY 33, 4ZHP #1/A HIS 34, 4ZHP #1/A ASP 35, 4ZHP #1/A LEU 36, 4ZHP #1/A PRO 37, 4ZHP #1/A TYR 38, 4ZHP #1/A SER 39, 4ZHP #1/A CYS 40, 4ZHP #1/A ARG 41, 4ZHP #1/A ALA 42, 4ZHP #1/A GLY 43, 4ZHP #1/A SER 44, 4ZHP #1/A CYS 45, 4ZHP #1/A SER 46, 4ZHP #1/A SER 47, 4ZHP #1/A CYS 48, 4ZHP #1/A ALA 49, 4ZHP #1/A GLY 50, 4ZHP #1/A LYS 51, 4ZHP #1/A VAL 52, 4ZHP #1/A THR 53, 4ZHP #1/A ALA 54, 4ZHP #1/A GLY 55, 4ZHP #1/A THR 56, 4ZHP #1/A VAL 57, 4ZHP #1/A ASP 58, 4ZHP #1/A GLN 59, 4ZHP #1/A SER 60, 4ZHP #1/A ASP 61, 4ZHP #1/A GLY 62, 4ZHP #1/A LYS 63, 4ZHP #1/A PHE 64, 4ZHP #1/A LEU 65, 4ZHP #1/A ASP 66, 4ZHP #1/A ASP 67, 4ZHP #1/A ASP 68, 4ZHP #1/A GLN 69, 4ZHP #1/A GLU 70, 4ZHP #1/A ALA 71, 4ZHP #1/A ALA 72, 4ZHP #1/A GLY 73, 4ZHP #1/A PHE 74, 4ZHP #1/A VAL 75, 4ZHP #1/A LEU 76, 4ZHP #1/A THR 77, 4ZHP #1/A CYS 78, 4ZHP #1/A VAL 79, 4ZHP #1/A ALA 80, 4ZHP #1/A TYR 81, 4ZHP #1/A PRO 82, 4ZHP #1/A LYS 83, 4ZHP #1/A CYS 84, 4ZHP #1/A ASP 85, 4ZHP #1/A VAL 86, 4ZHP #1/A THR 87, 4ZHP #1/A ILE 88, 4ZHP #1/A GLU 89, 4ZHP #1/A THR 90, 4ZHP #1/A HIS 91, 4ZHP #1/A LYS 92, 4ZHP #1/A GLU 93, 4ZHP #1/A GLU 94, 4ZHP #1/A GLU 95, 4ZHP #1/A LEU 96, 4ZHP #1/A THR 97, 4ZHP #1/A ALA 98, 4ZHP #1/A LEU 99, None, None, None, None, None, None, None
1A70 #2/A ALA 1, 1A70 #2/A ALA 2, 1A70 #2/A TYR 3, 1A70 #2/A LYS 4, 1A70 #2/A VAL 5, 1A70 #2/A THR 6, 1A70 #2/A LEU 7, 1A70 #2/A VAL 8, 1A70 #2/A THR 9, 1A70 #2/A PRO 10, 1A70 #2/A THR 11, 1A70 #2/A GLY 12, 1A70 #2/A ASN 13, 1A70 #2/A VAL 14, 1A70 #2/A GLU 15, 1A70 #2/A PHE 16, 1A70 #2/A GLN 17, 1A70 #2/A CYS 18, 1A70 #2/A PRO 19, 1A70 #2/A ASP 20, 1A70 #2/A ASP 21, 1A70 #2/A VAL 22, 1A70 #2/A TYR 23, 1A70 #2/A ILE 24, 1A70 #2/A LEU 25, 1A70 #2/A ASP 26, 1A70 #2/A ALA 27, 1A70 #2/A ALA 28, 1A70 #2/A GLU 29, 1A70 #2/A GLU 30, 1A70 #2/A GLU 31, 1A70 #2/A GLY 32, 1A70 #2/A ILE 33, 1A70 #2/A ASP 34, 1A70 #2/A LEU 35, 1A70 #2/A PRO 36, 1A70 #2/A TYR 37, 1A70 #2/A SER 38, 1A70 #2/A CYS 39, 1A70 #2/A ARG 40, 1A70 #2/A ALA 41, 1A70 #2/A GLY 42, 1A70 #2/A SER 43, 1A70 #2/A CYS 44, 1A70 #2/A SER 45, 1A70 #2/A SER 46, 1A70 #2/A CYS 47, 1A70 #2/A ALA 48, 1A70 #2/A GLY 49, 1A70 #2/A LYS 50, 1A70 #2/A LEU 51, 1A70 #2/A LYS 52, 1A70 #2/A THR 53, 1A70 #2/A GLY 54, 1A70 #2/A SER 55, 1A70 #2/A LEU 56, 1A70 #2/A ASN 57, 1A70 #2/A GLN 58, 1A70 #2/A ASP 59, 1A70 #2/A ASP 60, 1A70 #2/A GLN 61, 1A70 #2/A SER 62, 1A70 #2/A PHE 63, 1A70 #2/A LEU 64, 1A70 #2/A ASP 65, 1A70 #2/A ASP 66, 1A70 #2/A ASP 67, 1A70 #2/A GLN 68, 1A70 #2/A ILE 69, 1A70 #2/A ASP 70, 1A70 #2/A GLU 71, 1A70 #2/A GLY 72, 1A70 #2/A TRP 73, 1A70 #2/A VAL 74, 1A70 #2/A LEU 75, 1A70 #2/A THR 76, 1A70 #2/A CYS 77, 1A70 #2/A ALA 78, 1A70 #2/A ALA 79, 1A70 #2/A TYR 80, 1A70 #2/A PRO 81, 1A70 #2/A VAL 82, 1A70 #2/A SER 83, 1A70 #2/A ASP 84, 1A70 #2/A VAL 85, 1A70 #2/A THR 86, 1A70 #2/A ILE 87, 1A70 #2/A GLU 88, 1A70 #2/A THR 89, 1A70 #2/A HIS 90, 1A70 #2/A LYS 91, 1A70 #2/A LYS 92, 1A70 #2/A GLU 93, 1A70 #2/A GLU 94, 1A70 #2/A LEU 95, 1A70 #2/A THR 96, 1A70 #2/A ALA 97
Residue usage in match (1=used, 0=unused):
0, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0
1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0
matchmaker #2/A to #1/A verbose true
Parameters
Chain pairing bb
Alignment algorithm Needleman-Wunsch
Similarity matrix BLOSUM-62
SS fraction 0.3
Gap open (HH/SS/other) 18/18/6
Gap extend 1
SS matrix
H S O
H 6 -9 -6
S 6 -6
O 4
Iteration cutoff 2
Matchmaker 4ZHP, chain A (#1) with 1A70, chain A (#2), sequence alignment score = 401.4
RMSD between 95 pruned atom pairs is 0.530 angstroms; (across all 97 pairs: 0.980)
Sequences:
4ZHP, chain A MASYKVKLITPDGPIEFECPDDVYILDQAEEEGHDLPYSCRAGSCSSCAGKVTAGTVDQSDGKFLDDDQEAAGFVLTCVAYPKCDVTIETHKEEELTALEHHHHHH
1A70, chain A .AAYKVTLVTPTGNVEFQCPDDVYILDAAEEEGIDLPYSCRAGSCSSCAGKLKTGSLNQDDQSFLDDDQIDEGWVLTCAAYPVSDVTIETHKKEELTA........
Residues:
None, 4ZHP #1/A ALA 2, 4ZHP #1/A SER 3, 4ZHP #1/A TYR 4, 4ZHP #1/A LYS 5, 4ZHP #1/A VAL 6, 4ZHP #1/A LYS 7, 4ZHP #1/A LEU 8, 4ZHP #1/A ILE 9, 4ZHP #1/A THR 10, 4ZHP #1/A PRO 11, 4ZHP #1/A ASP 12, 4ZHP #1/A GLY 13, 4ZHP #1/A PRO 14, 4ZHP #1/A ILE 15, 4ZHP #1/A GLU 16, 4ZHP #1/A PHE 17, 4ZHP #1/A GLU 18, 4ZHP #1/A CYS 19, 4ZHP #1/A PRO 20, 4ZHP #1/A ASP 21, 4ZHP #1/A ASP 22, 4ZHP #1/A VAL 23, 4ZHP #1/A TYR 24, 4ZHP #1/A ILE 25, 4ZHP #1/A LEU 26, 4ZHP #1/A ASP 27, 4ZHP #1/A GLN 28, 4ZHP #1/A ALA 29, 4ZHP #1/A GLU 30, 4ZHP #1/A GLU 31, 4ZHP #1/A GLU 32, 4ZHP #1/A GLY 33, 4ZHP #1/A HIS 34, 4ZHP #1/A ASP 35, 4ZHP #1/A LEU 36, 4ZHP #1/A PRO 37, 4ZHP #1/A TYR 38, 4ZHP #1/A SER 39, 4ZHP #1/A CYS 40, 4ZHP #1/A ARG 41, 4ZHP #1/A ALA 42, 4ZHP #1/A GLY 43, 4ZHP #1/A SER 44, 4ZHP #1/A CYS 45, 4ZHP #1/A SER 46, 4ZHP #1/A SER 47, 4ZHP #1/A CYS 48, 4ZHP #1/A ALA 49, 4ZHP #1/A GLY 50, 4ZHP #1/A LYS 51, 4ZHP #1/A VAL 52, 4ZHP #1/A THR 53, 4ZHP #1/A ALA 54, 4ZHP #1/A GLY 55, 4ZHP #1/A THR 56, 4ZHP #1/A VAL 57, 4ZHP #1/A ASP 58, 4ZHP #1/A GLN 59, 4ZHP #1/A SER 60, 4ZHP #1/A ASP 61, 4ZHP #1/A GLY 62, 4ZHP #1/A LYS 63, 4ZHP #1/A PHE 64, 4ZHP #1/A LEU 65, 4ZHP #1/A ASP 66, 4ZHP #1/A ASP 67, 4ZHP #1/A ASP 68, 4ZHP #1/A GLN 69, 4ZHP #1/A GLU 70, 4ZHP #1/A ALA 71, 4ZHP #1/A ALA 72, 4ZHP #1/A GLY 73, 4ZHP #1/A PHE 74, 4ZHP #1/A VAL 75, 4ZHP #1/A LEU 76, 4ZHP #1/A THR 77, 4ZHP #1/A CYS 78, 4ZHP #1/A VAL 79, 4ZHP #1/A ALA 80, 4ZHP #1/A TYR 81, 4ZHP #1/A PRO 82, 4ZHP #1/A LYS 83, 4ZHP #1/A CYS 84, 4ZHP #1/A ASP 85, 4ZHP #1/A VAL 86, 4ZHP #1/A THR 87, 4ZHP #1/A ILE 88, 4ZHP #1/A GLU 89, 4ZHP #1/A THR 90, 4ZHP #1/A HIS 91, 4ZHP #1/A LYS 92, 4ZHP #1/A GLU 93, 4ZHP #1/A GLU 94, 4ZHP #1/A GLU 95, 4ZHP #1/A LEU 96, 4ZHP #1/A THR 97, 4ZHP #1/A ALA 98, 4ZHP #1/A LEU 99, None, None, None, None, None, None, None
1A70 #2/A ALA 1, 1A70 #2/A ALA 2, 1A70 #2/A TYR 3, 1A70 #2/A LYS 4, 1A70 #2/A VAL 5, 1A70 #2/A THR 6, 1A70 #2/A LEU 7, 1A70 #2/A VAL 8, 1A70 #2/A THR 9, 1A70 #2/A PRO 10, 1A70 #2/A THR 11, 1A70 #2/A GLY 12, 1A70 #2/A ASN 13, 1A70 #2/A VAL 14, 1A70 #2/A GLU 15, 1A70 #2/A PHE 16, 1A70 #2/A GLN 17, 1A70 #2/A CYS 18, 1A70 #2/A PRO 19, 1A70 #2/A ASP 20, 1A70 #2/A ASP 21, 1A70 #2/A VAL 22, 1A70 #2/A TYR 23, 1A70 #2/A ILE 24, 1A70 #2/A LEU 25, 1A70 #2/A ASP 26, 1A70 #2/A ALA 27, 1A70 #2/A ALA 28, 1A70 #2/A GLU 29, 1A70 #2/A GLU 30, 1A70 #2/A GLU 31, 1A70 #2/A GLY 32, 1A70 #2/A ILE 33, 1A70 #2/A ASP 34, 1A70 #2/A LEU 35, 1A70 #2/A PRO 36, 1A70 #2/A TYR 37, 1A70 #2/A SER 38, 1A70 #2/A CYS 39, 1A70 #2/A ARG 40, 1A70 #2/A ALA 41, 1A70 #2/A GLY 42, 1A70 #2/A SER 43, 1A70 #2/A CYS 44, 1A70 #2/A SER 45, 1A70 #2/A SER 46, 1A70 #2/A CYS 47, 1A70 #2/A ALA 48, 1A70 #2/A GLY 49, 1A70 #2/A LYS 50, 1A70 #2/A LEU 51, 1A70 #2/A LYS 52, 1A70 #2/A THR 53, 1A70 #2/A GLY 54, 1A70 #2/A SER 55, 1A70 #2/A LEU 56, 1A70 #2/A ASN 57, 1A70 #2/A GLN 58, 1A70 #2/A ASP 59, 1A70 #2/A ASP 60, 1A70 #2/A GLN 61, 1A70 #2/A SER 62, 1A70 #2/A PHE 63, 1A70 #2/A LEU 64, 1A70 #2/A ASP 65, 1A70 #2/A ASP 66, 1A70 #2/A ASP 67, 1A70 #2/A GLN 68, 1A70 #2/A ILE 69, 1A70 #2/A ASP 70, 1A70 #2/A GLU 71, 1A70 #2/A GLY 72, 1A70 #2/A TRP 73, 1A70 #2/A VAL 74, 1A70 #2/A LEU 75, 1A70 #2/A THR 76, 1A70 #2/A CYS 77, 1A70 #2/A ALA 78, 1A70 #2/A ALA 79, 1A70 #2/A TYR 80, 1A70 #2/A PRO 81, 1A70 #2/A VAL 82, 1A70 #2/A SER 83, 1A70 #2/A ASP 84, 1A70 #2/A VAL 85, 1A70 #2/A THR 86, 1A70 #2/A ILE 87, 1A70 #2/A GLU 88, 1A70 #2/A THR 89, 1A70 #2/A HIS 90, 1A70 #2/A LYS 91, 1A70 #2/A LYS 92, 1A70 #2/A GLU 93, 1A70 #2/A GLU 94, 1A70 #2/A LEU 95, 1A70 #2/A THR 96, 1A70 #2/A ALA 97
Residue usage in match (1=used, 0=unused):
0, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0
1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0