
#######################################################
#                                                     #
#                        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  140 ( 1064),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  939),  selected  125 , 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:   125       5_B - 129_B       1.37     1.37
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.37     1.37
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99       5_B - 103_B       0.93     1.40
  LCS_AVERAGE:     65.52

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
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     Q     5_B     Q     5_B     99  125  125     75  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B     99  125  125     33  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B     99  125  125     55  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B     99  125  125     22   97  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B     99  125  125     78  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B     99  125  125     77  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B     99  125  125     77  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B     99  125  125     18  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B     99  125  125      3   31   50  112  115  117  120  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B     99  125  125     10   85  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B     99  125  125      6  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B     99  125  125     80  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B     99  125  125     60  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B     99  125  125     81  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B     99  125  125     27  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B     99  125  125     51  105  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B     99  125  125     39  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B     99  125  125      5   68  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B     99  125  125     30  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B     99  125  125     73  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B     99  125  125     78  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B     99  125  125     80  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B     99  125  125     37  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B     99  125  125      4   19   59  112  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B     99  125  125      3    3    4    5   27   68  108  122  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B     99  125  125      3   53  102  114  116  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B     99  125  125     77  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B     99  125  125     78  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B     99  125  125     81  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B     99  125  125     43  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B     99  125  125     81  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B     99  125  125     81  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B     99  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B     99  125  125     23  105  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B     99  125  125      7   48  111  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B     47  125  125      4    9   36   93  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B      5  125  125      3    4    7   16   31  106  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      5  125  125      3    4    9   19   60  103  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      5  125  125      3    4   15   32  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      5  125  125      3    4    6    6   41  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      4  125  125      3    4   10   21   93  118  120  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B      4  125  125      3    4   36   50   73  115  117  122  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B     19  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B     19  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B     19  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B     19  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B     19  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     19  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     19  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     19  125  125     19  102  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     19  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     19  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     19  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     19  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     19  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     19  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     19  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     19  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     19  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     19  125  125     82  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     19  125  125     78  107  113  114  117  119  121  123  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  88.51  (  65.52  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    107    113    114    117    119    121    123    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  65.60  85.60  90.40  91.20  93.60  95.20  96.80  98.40 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.47   0.56   0.60   0.86   0.95   1.11   1.22   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37
GDT RMS_ALL_AT   1.46   1.43   1.42   1.42   1.38   1.38   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37

# Checking swapping
#   possible swapping detected:  D    75_B      D    75_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     0.405     0    0.679   0.852     9.633   91.190   50.741
LGA    L     6_B      L     6_B     0.393     0    0.048   1.016     2.638   97.619   89.048
LGA    V     7_B      V     7_B     0.482     0    0.095   0.882     2.351  100.000   88.571
LGA    E     8_B      E     8_B     0.874     0    0.030   0.533     1.651   88.214   85.503
LGA    S     9_B      S     9_B     0.810     0    0.063   0.508     1.856   92.857   89.127
LGA    G    10_B      G    10_B     0.266     0    0.682   0.682     2.731   89.286   89.286
LGA    G    11_B      G    11_B     1.423     0    0.053   0.053     1.724   81.548   81.548
LGA    G    12_B      G    12_B     0.819     0    0.031   0.031     0.819   90.476   90.476
LGA    L    13_B      L    13_B     0.930     0    0.088   1.268     4.352   88.214   76.131
LGA    V    14_B      V    14_B     0.604     0    0.047   0.069     0.631   90.476   94.558
LGA    Q    15_B      Q    15_B     0.398     0    0.072   0.602     2.400   97.619   83.280
LGA    A    16_B      A    16_B     0.360     0    0.069   0.077     0.740   97.619   96.190
LGA    G    17_B      G    17_B     0.216     0    0.086   0.086     0.327  100.000  100.000
LGA    G    18_B      G    18_B     0.340     0    0.085   0.085     0.699   97.619   97.619
LGA    S    19_B      S    19_B     0.462     0    0.043   0.080     0.691   95.238   93.651
LGA    L    20_B      L    20_B     0.363     0    0.031   1.125     2.532  100.000   86.726
LGA    G    21_B      G    21_B     0.451     0    0.100   0.100     0.451  100.000  100.000
LGA    L    22_B      L    22_B     0.209     0    0.060   0.068     0.376  100.000  100.000
LGA    S    23_B      S    23_B     0.291     0    0.025   0.546     1.796   97.619   92.302
LGA    C    24_B      C    24_B     0.446     0    0.033   0.073     0.620  100.000   98.413
LGA    A    25_B      A    25_B     0.257     0    0.058   0.087     0.340  100.000  100.000
LGA    A    26_B      A    26_B     0.582     0    0.028   0.042     0.582   92.857   92.381
LGA    S    27_B      S    27_B     0.490     0    0.187   0.589     3.499   88.810   82.619
LGA    G    28_B      G    28_B     0.962     0    0.092   0.092     1.886   84.048   84.048
LGA    R    29_B      R    29_B     3.034     0    0.453   1.611     5.878   57.381   39.048
LGA    T    30_B      T    30_B     1.295     0    0.034   0.194     3.492   79.286   70.952
LGA    F    31_B      F    31_B     1.172     0    0.025   0.083     1.634   85.952   80.736
LGA    S    32_B      S    32_B     0.454     0    0.036   0.546     2.138   97.619   92.540
LGA    N    33_B      N    33_B     0.567     0    0.110   0.207     2.141   97.619   85.298
LGA    Y    34_B      Y    34_B     0.864     0    0.088   0.420     1.761   90.476   83.770
LGA    V    35_B      V    35_B     0.719     0    0.087   0.155     0.855   90.476   91.837
LGA    M    36_B      M    36_B     0.795     0    0.021   0.251     0.875   90.476   91.667
LGA    A    37_B      A    37_B     0.750     0    0.032   0.039     0.868   90.476   90.476
LGA    W    38_B      W    38_B     0.502     0    0.031   0.096     0.779   95.238   95.238
LGA    F    39_B      F    39_B     0.483     0    0.051   0.110     0.558   97.619   99.134
LGA    R    40_B      R    40_B     0.223     0    0.016   0.152     0.713  100.000   97.403
LGA    Q    41_B      Q    41_B     0.404     0    0.041   0.275     1.152   97.619   91.640
LGA    A    42_B      A    42_B     0.599     0    0.054   0.055     0.755   92.857   94.286
LGA    P    43_B      P    43_B     1.002     0    0.109   0.391     1.474   88.214   86.599
LGA    G    44_B      G    44_B     1.310     0    0.255   0.255     1.770   79.286   79.286
LGA    K    45_B      K    45_B     1.234     0    0.041   0.720     2.970   88.333   81.005
LGA    E    46_B      E    46_B     1.724     0    0.060   0.992     3.143   79.286   71.481
LGA    R    47_B      R    47_B     1.295     0    0.080   0.866     3.850   77.143   72.597
LGA    E    48_B      E    48_B     0.940     0    0.050   0.455     1.568   90.476   84.497
LGA    F    49_B      F    49_B     0.377     0    0.069   0.161     0.766   95.238   93.074
LGA    V    50_B      V    50_B     0.296     0    0.041   0.087     0.667   97.619   97.279
LGA    A    51_B      A    51_B     0.765     0    0.019   0.037     0.883   92.857   92.381
LGA    R    52_B      R    52_B     0.499     0    0.097   1.117     4.075   92.857   78.615
LGA    I    53_B      I    53_B     0.756     0    0.018   0.162     1.042   90.476   89.345
LGA    S    54_B      S    54_B     0.415     0    0.053   0.186     0.918   95.238   93.651
LGA    E    55_B      E    55_B     0.773     0    0.214   0.906     3.645   80.119   71.270
LGA    S    56_B      S    56_B     2.911     0    0.345   0.370     3.685   57.500   53.889
LGA    R    57_B      R    57_B     4.850     0    0.731   1.003    15.997   49.524   19.048
LGA    G    58_B      G    58_B     2.539     0    0.367   0.367     3.034   57.262   57.262
LGA    T    59_B      T    59_B     1.006     0    0.089   0.326     1.291   85.952   89.252
LGA    T    60_B      T    60_B     0.508     0    0.023   0.269     0.997   92.857   91.837
LGA    D    61_B      D    61_B     0.608     0    0.035   1.152     3.494   90.476   83.155
LGA    Y    62_B      Y    62_B     0.449     0    0.031   0.076     0.538   97.619   99.206
LGA    A    63_B      A    63_B     0.451     0    0.059   0.061     0.502   97.619   98.095
LGA    D    64_B      D    64_B     0.413     0    0.083   0.414     1.129  100.000   92.976
LGA    S    65_B      S    65_B     0.529     0    0.122   0.568     1.992   92.857   90.714
LGA    V    66_B      V    66_B     0.612     0    0.084   0.201     1.120   88.214   91.905
LGA    K    67_B      K    67_B     0.791     0    0.050   0.768     2.812   90.476   80.053
LGA    G    68_B      G    68_B     0.576     0    0.067   0.067     0.725   95.238   95.238
LGA    R    69_B      R    69_B     0.303     0    0.067   0.761     1.989  100.000   90.693
LGA    F    70_B      F    70_B     0.061     0    0.009   0.210     0.593  100.000   98.268
LGA    T    71_B      T    71_B     0.098     0    0.068   0.184     0.533   97.619   97.279
LGA    I    72_B      I    72_B     0.385     0    0.037   0.639     1.566  100.000   93.036
LGA    S    73_B      S    73_B     0.180     0    0.018   0.689     2.202  100.000   94.127
LGA    R    74_B      R    74_B     0.180     0    0.036   0.157     0.575  100.000   98.268
LGA    D    75_B      D    75_B     0.257     0    0.036   0.705     1.907  100.000   94.286
LGA    N    76_B      N    76_B     0.570     0    0.177   0.237     1.143   90.595   89.405
LGA    A    77_B      A    77_B     0.747     0    0.021   0.042     0.897   90.476   90.476
LGA    K    78_B      K    78_B     1.019     0    0.136   1.017     2.802   88.214   77.989
LGA    N    79_B      N    79_B     0.243     0    0.035   0.258     1.114   97.619   96.488
LGA    T    80_B      T    80_B     0.284     0    0.033   1.220     2.977  100.000   88.844
LGA    I    81_B      I    81_B     0.656     0    0.027   1.341     3.248   92.857   79.226
LGA    Y    82_B      Y    82_B     0.449     0    0.004   0.088     0.651   97.619   92.857
LGA    L    83_B      L    83_B     0.377     0    0.052   0.168     0.562  100.000   98.810
LGA    Q    84_B      Q    84_B     0.359     0    0.038   0.190     1.105  100.000   94.815
LGA    M    85_B      M    85_B     0.226     0    0.134   0.754     2.025   97.619   92.083
LGA    N    86_B      N    86_B     0.261     0    0.053   0.303     0.879  100.000   97.619
LGA    S    87_B      S    87_B     0.478     0    0.037   0.167     0.852   97.619   96.825
LGA    L    88_B      L    88_B     0.419     0    0.099   0.227     0.772   97.619   97.619
LGA    N    89_B      N    89_B     0.744     0    0.045   1.149     4.308   90.476   73.750
LGA    P    90_B      P    90_B     0.711     0    0.042   0.081     0.987   90.476   90.476
LGA    G    91_B      G    91_B     0.614     0    0.097   0.097     0.880   90.476   90.476
LGA    D    92_B      D    92_B     0.474     0    0.068   0.142     0.586  100.000   95.238
LGA    T    93_B      T    93_B     0.557     0    0.076   0.160     0.978   90.476   91.837
LGA    A    94_B      A    94_B     0.397     0    0.015   0.034     0.483  100.000  100.000
LGA    V    95_B      V    95_B     0.123     0    0.075   0.873     2.325  100.000   89.932
LGA    Y    96_B      Y    96_B     0.095     0    0.020   0.076     0.311  100.000  100.000
LGA    S    97_B      S    97_B     0.499     0    0.054   0.058     0.785  100.000   96.825
LGA    C    98_B      C    98_B     0.356     0    0.062   0.665     2.157   97.619   90.952
LGA    A    99_B      A    99_B     0.426     0    0.039   0.042     0.680   95.238   94.286
LGA    A   100_B      A   100_B     0.647     0    0.033   0.038     0.820   90.476   90.476
LGA    T   101_B      T   101_B     0.874     0    0.115   0.938     2.605   95.238   84.626
LGA    L   102_B      L   102_B     0.926     0    0.062   1.069     3.689   88.333   76.190
LGA    P   103_B      P   103_B     2.273     0    0.080   0.218     2.922   62.976   61.565
LGA    A   104_B      A   104_B     3.566     0    0.228   0.231     3.891   46.786   46.095
LGA    W   105_B      W   105_B     4.605     0    0.269   1.364     9.714   31.905   19.082
LGA    T   106_B      T   106_B     4.477     0    0.459   1.019     7.779   38.690   29.252
LGA    G   107_B      G   107_B     3.901     0    0.341   0.341     3.901   50.119   50.119
LGA    I   108_B      I   108_B     3.654     0    0.668   0.815     5.791   38.810   33.214
LGA    I   109_B      I   109_B     4.832     0    0.547   1.197    11.377   31.905   18.274
LGA    G   110_B      G   110_B     5.334     0    0.670   0.670     5.334   36.190   36.190
LGA    G   111_B      G   111_B     0.626     0    0.549   0.549     1.711   90.833   90.833
LGA    R   112_B      R   112_B     0.432     0    0.027   0.577     1.703  100.000   91.558
LGA    R   113_B      R   113_B     0.483     0    0.023   1.433     8.784   97.619   58.139
LGA    P   114_B      P   114_B     0.419     0    0.025   0.352     1.131   97.619   95.986
LGA    G   115_B      G   115_B     0.604     0    0.116   0.116     0.604   95.238   95.238
LGA    N   116_B      N   116_B     0.503     0    0.156   0.823     1.761   88.214   87.321
LGA    Y   117_B      Y   117_B     0.570     0    0.092   0.196     1.015   88.214   95.278
LGA    P   118_B      P   118_B     1.294     0    0.109   0.236     1.934   85.952   81.565
LGA    Y   119_B      Y   119_B     0.326     0    0.069   0.182     0.594   97.619   96.825
LGA    W   120_B      W   120_B     0.488     0    0.040   0.221     1.029   95.238   91.190
LGA    G   121_B      G   121_B     0.373     0    0.057   0.057     0.497  100.000  100.000
LGA    Q   122_B      Q   122_B     0.451     0    0.067   0.226     1.386   97.619   91.693
LGA    G   123_B      G   123_B     0.393     0    0.104   0.104     0.769   97.619   97.619
LGA    T   124_B      T   124_B     0.379     0    0.051   0.936     2.575  100.000   88.639
LGA    Q   125_B      Q   125_B     0.347     0    0.020   1.146     5.146  100.000   74.868
LGA    V   126_B      V   126_B     0.397     0    0.067   0.184     1.025  100.000   97.347
LGA    T   127_B      T   127_B     0.530     0    0.059   1.101     2.975   90.476   83.401
LGA    V   128_B      V   128_B     0.714     0    0.023   0.062     0.944   90.476   90.476
LGA    S   129_B      S   129_B     0.966     0    0.180   0.672     4.022   67.024   64.048

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     939    939  100.00               125
SUMMARY(RMSD_GDC):     1.366          1.335                  2.205           89.288   84.559

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  125    4.0    123    1.22    93.800    96.547     9.335

LGA_LOCAL      RMSD:   1.218  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.369  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.366  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.337573 * X  +   0.336886 * Y  +  -0.878949 * Z  + 147.298477
  Y_new =   0.783937 * X  +  -0.416253 * Y  +  -0.460625 * Z  +  49.598236
  Z_new =  -0.521044 * X  +  -0.844536 * Y  +  -0.123582 * Z  + 111.291710 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.977411  0.548073 -1.716096   [DEG:  113.2973   31.4023  -98.3251 ]
ZXZ: -1.088084  1.694695 -2.588797   [DEG:  -62.3426   97.0989 -148.3271 ]
 
# END of job
