
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  139 ( 1107),  selected  118 , name one
# Molecule2: number of CA atoms  118 (  945),  selected  118 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      21_B - 138_B       1.02     1.02
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      21_B - 138_B       1.02     1.02
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   117      22_B - 138_B       0.80     1.02
  LCS_AVERAGE:     98.33

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  118
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     M    21_B     M    21_B      3  118  118      3    4    6    8   23   47   97  114  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    22_B     A    22_B    117  118  118      3   19   35   67  113  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    23_B     S    23_B    117  118  118      3    3    4    4   73   86   97  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    24_B     M    24_B    117  118  118      3  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    25_B     Y    25_B    117  118  118     35  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    26_B     A    26_B    117  118  118     46  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    27_B     K    27_B    117  118  118     36  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H    28_B     H    28_B    117  118  118     44  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    29_B     S    29_B    117  118  118     44  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    30_B     A    30_B    117  118  118     44  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    31_B     Q    31_B    117  118  118     44  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     N    32_B     N    32_B    117  118  118     63  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    33_B     Y    33_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    34_B     Q    34_B    117  118  118     75  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    35_B     P    35_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    36_B     L    36_B    117  118  118     50  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    37_B     L    37_B    117  118  118     63  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    38_B     P    38_B    117  118  118     46  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    39_B     G    39_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    40_B     I    40_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    41_B     K    41_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    42_B     I    42_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    43_B     K    43_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    44_B     T    44_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    45_B     L    45_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    46_B     V    46_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    47_B     Y    47_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    48_B     G    48_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    49_B     E    49_B    117  118  118     75  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    50_B     L    50_B    117  118  118     80  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    51_B     T    51_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    52_B     L    52_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    53_B     M    53_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    54_B     T    54_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    55_B     E    55_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     F    56_B     F    56_B    117  118  118     80  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    57_B     V    57_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    58_B     M    58_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    59_B     D    59_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    60_B     K    60_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    61_B     G    61_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    62_B     S    62_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    63_B     S    63_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    64_B     L    64_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    65_B     P    65_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    66_B     D    66_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H    67_B     H    67_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    68_B     T    68_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H    69_B     H    69_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    70_B     P    70_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    71_B     Y    71_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    72_B     E    72_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    73_B     Q    73_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    74_B     T    74_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    75_B     G    75_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    76_B     Y    76_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    77_B     L    77_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    78_B     V    78_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    79_B     S    79_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    80_B     G    80_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    81_B     K    81_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    82_B     I    82_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    83_B     I    83_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    84_B     L    84_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    85_B     Y    85_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    86_B     I    86_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    87_B     E    87_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    88_B     D    88_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    89_B     K    89_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    90_B     K    90_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    91_B     Q    91_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    92_B     Q    92_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    93_B     I    93_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    94_B     M    94_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    95_B     A    95_B    117  118  118     80  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    96_B     G    96_B    117  118  118     46  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    97_B     D    97_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    98_B     S    98_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     W    99_B     W    99_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     C   100_B     C   100_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   101_B     I   101_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P   102_B     P   102_B    117  118  118     58  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K   103_B     K   103_B    117  118  118     58  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     N   104_B     N   104_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   105_B     V   105_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H   106_B     H   106_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H   107_B     H   107_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H   108_B     H   108_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   109_B     A   109_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   110_B     E   110_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   111_B     I   111_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L   112_B     L   112_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   113_B     E   113_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     N   114_B     N   114_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S   115_B     S   115_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   116_B     V   116_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   117_B     A   117_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   118_B     V   118_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   119_B     E   119_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   120_B     V   120_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     F   121_B     F   121_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   122_B     A   122_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P   123_B     P   123_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T   124_B     T   124_B    117  118  118     28  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     R   125_B     R   125_B    117  118  118     62  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   126_B     E   126_B    117  118  118     30  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   127_B     E   127_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y   128_B     Y   128_B    117  118  118     80  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   129_B     I   129_B    117  118  118     60  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K   130_B     K   130_B    117  118  118     48  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y   131_B     Y   131_B    117  118  118     80  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L   132_B     L   132_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D   133_B     D   133_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     R   134_B     R   134_B    117  118  118     82  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T   135_B     T   135_B    117  118  118     80  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T   136_B     T   136_B    117  118  118      8  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   137_B     V   137_B    117  118  118     35  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   138_B     V   138_B    117  118  118     46  112  115  115  115  116  116  116  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_AVERAGE  LCS_A:  99.44  (  98.33  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     82    112    115    115    115    116    116    116    118    118    118    118    118    118    118    118    118    118    118    118 
GDT PERCENT_AT  69.49  94.92  97.46  97.46  97.46  98.31  98.31  98.31 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.46   0.49   0.49   0.49   0.60   0.60   0.60   1.02   1.02   1.02   1.02   1.02   1.02   1.02   1.02   1.02   1.02   1.02   1.02
GDT RMS_ALL_AT   1.07   1.04   1.05   1.05   1.05   1.04   1.04   1.04   1.02   1.02   1.02   1.02   1.02   1.02   1.02   1.02   1.02   1.02   1.02   1.02

# Checking swapping
#   possible swapping detected:  Y    25_B      Y    25_B
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  Y    47_B      Y    47_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  D    59_B      D    59_B
#   possible swapping detected:  Y    71_B      Y    71_B
#   possible swapping detected:  E    72_B      E    72_B
#   possible swapping detected:  Y    76_B      Y    76_B
#   possible swapping detected:  E    87_B      E    87_B
#   possible swapping detected:  D    88_B      D    88_B
#   possible swapping detected:  D    97_B      D    97_B
#   possible swapping detected:  E   110_B      E   110_B
#   possible swapping detected:  E   119_B      E   119_B
#   possible swapping detected:  F   121_B      F   121_B
#   possible swapping detected:  E   126_B      E   126_B
#   possible swapping detected:  E   127_B      E   127_B
#   possible swapping detected:  Y   128_B      Y   128_B
#   possible swapping detected:  Y   131_B      Y   131_B
#   possible swapping detected:  D   133_B      D   133_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M    21_B      M    21_B     7.181     0    0.241   0.598    12.123   11.786    6.071
LGA    A    22_B      A    22_B     3.719     0    0.618   0.598     5.159   39.048   44.190
LGA    S    23_B      S    23_B     5.795     0    0.151   0.685     9.838   30.833   21.429
LGA    M    24_B      M    24_B     1.070     0    0.621   0.807     8.463   83.810   52.619
LGA    Y    25_B      Y    25_B     0.893     0    0.093   0.119     1.757   90.476   81.587
LGA    A    26_B      A    26_B     0.625     0    0.026   0.029     0.788   90.476   90.476
LGA    K    27_B      K    27_B     0.809     0    0.025   0.632     2.721   90.476   83.069
LGA    H    28_B      H    28_B     0.964     0    0.024   1.143     2.836   90.476   80.095
LGA    S    29_B      S    29_B     0.943     0    0.041   0.127     0.991   90.476   90.476
LGA    A    30_B      A    30_B     1.166     0    0.018   0.017     1.315   81.429   81.429
LGA    Q    31_B      Q    31_B     1.142     0    0.019   1.210     3.702   85.952   75.450
LGA    N    32_B      N    32_B     0.619     0    0.059   0.521     1.937   95.238   93.036
LGA    Y    33_B      Y    33_B     0.407     0    0.124   0.155     1.175   90.595   93.690
LGA    Q    34_B      Q    34_B     0.599     0    0.037   1.282     3.390   95.238   81.640
LGA    P    35_B      P    35_B     0.347     0    0.039   0.156     0.418  100.000  100.000
LGA    L    36_B      L    36_B     0.592     0    0.007   0.247     0.712   90.476   94.048
LGA    L    37_B      L    37_B     0.559     0    0.042   0.070     0.688   95.238   92.857
LGA    P    38_B      P    38_B     0.635     0    0.023   0.048     0.872   90.476   90.476
LGA    G    39_B      G    39_B     0.311     0    0.028   0.028     0.342  100.000  100.000
LGA    I    40_B      I    40_B     0.289     0    0.035   0.625     1.765  100.000   95.417
LGA    K    41_B      K    41_B     0.141     0    0.022   0.865     2.677  100.000   91.323
LGA    I    42_B      I    42_B     0.243     0    0.012   0.110     0.476  100.000  100.000
LGA    K    43_B      K    43_B     0.373     0    0.050   0.516     1.724  100.000   93.862
LGA    T    44_B      T    44_B     0.230     0    0.018   0.074     0.442  100.000  100.000
LGA    L    45_B      L    45_B     0.118     0    0.063   0.060     0.381  100.000  100.000
LGA    V    46_B      V    46_B     0.125     0    0.056   1.208     2.601  100.000   88.844
LGA    Y    47_B      Y    47_B     0.370     0    0.024   0.155     0.512   97.619   99.206
LGA    G    48_B      G    48_B     0.323     0    0.017   0.017     0.595   95.238   95.238
LGA    E    49_B      E    49_B     0.789     0    0.078   0.760     2.829   88.214   74.656
LGA    L    50_B      L    50_B     0.441     0    0.052   0.124     1.069   97.619   92.917
LGA    T    51_B      T    51_B     0.223     0    0.013   0.055     0.335  100.000  100.000
LGA    L    52_B      L    52_B     0.232     0    0.037   0.173     0.956   97.619   96.429
LGA    M    53_B      M    53_B     0.194     0    0.037   0.137     0.532  100.000   98.810
LGA    T    54_B      T    54_B     0.325     0    0.031   0.044     0.406  100.000  100.000
LGA    E    55_B      E    55_B     0.231     0    0.048   0.223     1.330  100.000   96.878
LGA    F    56_B      F    56_B     0.536     0    0.085   0.298     1.200   95.238   91.429
LGA    V    57_B      V    57_B     0.316     0    0.032   0.093     0.526  100.000   98.639
LGA    M    58_B      M    58_B     0.238     0    0.051   0.169     0.427  100.000  100.000
LGA    D    59_B      D    59_B     0.342     0    0.020   0.494     1.637  100.000   93.095
LGA    K    60_B      K    60_B     0.412     0    0.008   0.142     1.141  100.000   93.704
LGA    G    61_B      G    61_B     0.546     0    0.021   0.021     0.647   90.476   90.476
LGA    S    62_B      S    62_B     0.421     0    0.023   0.075     0.464  100.000  100.000
LGA    S    63_B      S    63_B     0.421     0    0.028   0.077     0.865  100.000   96.825
LGA    L    64_B      L    64_B     0.402     0    0.037   0.715     3.025   97.619   86.845
LGA    P    65_B      P    65_B     0.375     0    0.027   0.342     1.729  100.000   94.762
LGA    D    66_B      D    66_B     0.131     0    0.020   0.463     1.354  100.000   94.167
LGA    H    67_B      H    67_B     0.323     0    0.061   0.130     0.663   97.619   97.143
LGA    T    68_B      T    68_B     0.417     0    0.079   0.121     0.687   97.619   95.918
LGA    H    69_B      H    69_B     0.586     0    0.081   0.309     1.107   92.857   90.524
LGA    P    70_B      P    70_B     0.714     0    0.144   0.130     1.421   88.214   87.891
LGA    Y    71_B      Y    71_B     0.603     0    0.042   0.153     0.860   90.476   92.063
LGA    E    72_B      E    72_B     0.593     0    0.027   0.156     1.027   90.476   89.471
LGA    Q    73_B      Q    73_B     0.547     0    0.052   0.096     0.778   90.476   90.476
LGA    T    74_B      T    74_B     0.457     0    0.024   1.043     2.603  100.000   88.639
LGA    G    75_B      G    75_B     0.364     0    0.023   0.023     0.364  100.000  100.000
LGA    Y    76_B      Y    76_B     0.354     0    0.028   0.082     1.222  100.000   92.183
LGA    L    77_B      L    77_B     0.345     0    0.018   0.194     0.750  100.000   98.810
LGA    V    78_B      V    78_B     0.305     0    0.021   0.048     0.352  100.000  100.000
LGA    S    79_B      S    79_B     0.387     0    0.048   0.075     0.454  100.000  100.000
LGA    G    80_B      G    80_B     0.323     0    0.018   0.018     0.507   97.619   97.619
LGA    K    81_B      K    81_B     0.296     0    0.028   0.599     2.437  100.000   91.111
LGA    I    82_B      I    82_B     0.311     0    0.009   0.048     0.386  100.000  100.000
LGA    I    83_B      I    83_B     0.345     0    0.044   0.049     0.613  100.000   96.429
LGA    L    84_B      L    84_B     0.363     0    0.037   0.127     0.716  100.000   98.810
LGA    Y    85_B      Y    85_B     0.408     0    0.060   0.065     0.540   97.619   99.206
LGA    I    86_B      I    86_B     0.401     0    0.070   0.127     0.662   97.619   98.810
LGA    E    87_B      E    87_B     0.387     0    0.032   1.105     5.439  100.000   76.402
LGA    D    88_B      D    88_B     0.339     0    0.094   0.160     1.444   97.619   92.917
LGA    K    89_B      K    89_B     0.407     0    0.038   0.609     2.072   97.619   90.053
LGA    K    90_B      K    90_B     0.374     0    0.068   0.141     0.811   97.619   96.825
LGA    Q    91_B      Q    91_B     0.130     0    0.007   1.009     2.555  100.000   92.222
LGA    Q    92_B      Q    92_B     0.239     0    0.018   0.101     0.410  100.000  100.000
LGA    I    93_B      I    93_B     0.225     0    0.018   0.150     0.661  100.000   98.810
LGA    M    94_B      M    94_B     0.459     0    0.044   0.438     2.533  100.000   86.667
LGA    A    95_B      A    95_B     0.717     0    0.009   0.010     0.898   90.476   90.476
LGA    G    96_B      G    96_B     0.734     0    0.033   0.033     0.734   90.476   90.476
LGA    D    97_B      D    97_B     0.418     0    0.025   0.111     0.567  100.000   98.810
LGA    S    98_B      S    98_B     0.430     0    0.019   0.061     0.766  100.000   96.825
LGA    W    99_B      W    99_B     0.384     0    0.064   0.107     0.802  100.000   96.599
LGA    C   100_B      C   100_B     0.417     0    0.051   0.062     0.700   97.619   96.825
LGA    I   101_B      I   101_B     0.199     0    0.024   0.045     0.361  100.000  100.000
LGA    P   102_B      P   102_B     0.570     0    0.025   0.073     0.659   95.238   93.197
LGA    K   103_B      K   103_B     0.705     0    0.027   1.105     3.979   90.476   81.534
LGA    N   104_B      N   104_B     0.658     0    0.108   0.311     0.885   90.476   91.667
LGA    V   105_B      V   105_B     0.199     0    0.018   0.045     0.467  100.000  100.000
LGA    H   106_B      H   106_B     0.164     0    0.028   0.120     0.636  100.000   98.095
LGA    H   107_B      H   107_B     0.229     0    0.067   0.090     0.347  100.000  100.000
LGA    H   108_B      H   108_B     0.165     0    0.037   1.142     2.207  100.000   88.381
LGA    A   109_B      A   109_B     0.338     0    0.012   0.016     0.370  100.000  100.000
LGA    E   110_B      E   110_B     0.341     0    0.030   0.717     2.968  100.000   86.561
LGA    I   111_B      I   111_B     0.166     0    0.035   0.587     1.694  100.000   95.417
LGA    L   112_B      L   112_B     0.249     0    0.040   0.051     0.808   97.619   95.238
LGA    E   113_B      E   113_B     0.057     0    0.048   1.033     3.990  100.000   83.810
LGA    N   114_B      N   114_B     0.321     0    0.088   0.211     0.619   97.619   96.429
LGA    S   115_B      S   115_B     0.409     0    0.011   0.069     0.467  100.000  100.000
LGA    V   116_B      V   116_B     0.204     0    0.037   0.042     0.288  100.000  100.000
LGA    A   117_B      A   117_B     0.312     0    0.018   0.025     0.379  100.000  100.000
LGA    V   118_B      V   118_B     0.318     0    0.056   0.093     0.486  100.000  100.000
LGA    E   119_B      E   119_B     0.303     0    0.070   0.684     2.454   97.619   91.852
LGA    V   120_B      V   120_B     0.265     0    0.015   0.067     0.412  100.000  100.000
LGA    F   121_B      F   121_B     0.308     0    0.039   0.073     0.532  100.000   99.134
LGA    A   122_B      A   122_B     0.264     0    0.052   0.052     0.550   97.619   98.095
LGA    P   123_B      P   123_B     0.052     0    0.013   0.075     0.423  100.000  100.000
LGA    T   124_B      T   124_B     0.681     0    0.042   0.182     1.207   92.857   89.252
LGA    R   125_B      R   125_B     0.612     0    0.056   0.078     0.758   90.476   90.476
LGA    E   126_B      E   126_B     0.737     0    0.020   0.970     3.701   90.476   79.524
LGA    E   127_B      E   127_B     0.416     0    0.074   0.898     5.038   95.238   73.915
LGA    Y   128_B      Y   128_B     0.564     0    0.044   0.124     0.747   92.857   92.857
LGA    I   129_B      I   129_B     0.762     0    0.022   0.089     0.871   90.476   90.476
LGA    K   130_B      K   130_B     0.950     0    0.031   0.212     2.780   90.476   79.947
LGA    Y   131_B      Y   131_B     0.555     0    0.040   0.187     1.358   95.238   91.389
LGA    L   132_B      L   132_B     0.251     0    0.011   0.124     0.565  100.000   98.810
LGA    D   133_B      D   133_B     0.133     0    0.028   0.120     0.695  100.000   98.810
LGA    R   134_B      R   134_B     0.223     0    0.058   1.051     7.805  100.000   64.069
LGA    T   135_B      T   135_B     0.513     0    0.023   0.099     0.847   92.857   93.197
LGA    T   136_B      T   136_B     0.761     0    0.047   0.153     1.452   90.476   86.599
LGA    V   137_B      V   137_B     0.682     0    0.014   0.076     0.814   92.857   91.837
LGA    V   138_B      V   138_B     0.622     0    0.007   0.181     0.866   90.476   91.837

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      118     472    472  100.00     945    945  100.00               118
SUMMARY(RMSD_GDC):     1.015          1.002                  1.478           94.793   90.996

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  139  118    4.0    116    0.60    97.669    98.773    16.616

LGA_LOCAL      RMSD:   0.598  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.036  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   1.015  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.127483 * X  +   0.283059 * Y  +  -0.950592 * Z  + -33.332741
  Y_new =   0.541218 * X  +  -0.823002 * Y  +  -0.172484 * Z  +  26.592617
  Z_new =  -0.831163 * X  +  -0.492488 * Y  +  -0.258116 * Z  +   3.851740 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.339464  0.981196 -2.053542   [DEG:   76.7456   56.2184 -117.6593 ]
ZXZ: -1.391300  1.831868 -2.105705   [DEG:  -79.7156  104.9583 -120.6480 ]
 
# END of job
