
#######################################################
#                                                     #
#                        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       1.87     1.87
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.87     1.87
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99       5_B - 103_B       0.84     1.95
  LCS_AVERAGE:     65.24

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     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B     99  125  125     25  102  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B     99  125  125     61  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B     99  125  125     61  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B     99  125  125     32  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B     99  125  125      6   19  101  116  116  117  117  119  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B     99  125  125     35  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B     99  125  125     13  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B     99  125  125     47  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B     99  125  125     64  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B     99  125  125     80  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B     99  125  125     82  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B     99  125  125     11  102  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B     99  125  125     77  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B     99  125  125     15  100  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B     99  125  125      4    9   96  115  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B     99  125  125     29  108  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B     99  125  125     41  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B     99  125  125     82  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B     99  125  125     79  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B     99  125  125     82  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B     99  125  125     41  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B     99  125  125     82  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B     99  125  125     80  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B     99  125  125     80  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B     99  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B     99  125  125     58  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B     99  125  125      3   99  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B     99  125  125      4    5   28   66  112  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B      7  125  125      4    5    7   22   71  112  118  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B      5  125  125      4    4    5    6    6    7    9   12   29   38   46  100  121  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      5  125  125      4    4    5    6    6    7   15   26   29   63   91  121  124  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      5  125  125      4    4   15   36   69  106  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      3  125  125      3    3    4    6    8   22   48  102  115  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      3  125  125      3    4    4    9   25   66  107  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B      3  125  125      3    4    4    7    9  103  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B     19  125  125     52  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B     19  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B     19  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B     19  125  125     71  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B     19  125  125     46  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     19  125  125     78  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     19  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     19  125  125     57  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     19  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     19  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     19  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     19  125  125     79  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     19  125  125     82  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     19  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     19  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     19  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     19  125  125     82  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     19  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     19  125  125     83  109  115  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  88.41  (  65.24  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     83    109    115    116    116    117    119    121    121    122    123    123    124    125    125    125    125    125    125    125 
GDT PERCENT_AT  66.40  87.20  92.00  92.80  92.80  93.60  95.20  96.80  96.80  97.60  98.40  98.40  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.46   0.54   0.60   0.60   0.66   1.06   1.31   1.19   1.34   1.47   1.47   1.67   1.87   1.87   1.87   1.87   1.87   1.87   1.87
GDT RMS_ALL_AT   2.01   2.00   1.98   2.00   2.00   1.98   1.91   1.88   1.90   1.89   1.88   1.88   1.87   1.87   1.87   1.87   1.87   1.87   1.87   1.87

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  F    31_B      F    31_B
#   possible swapping detected:  Y    34_B      Y    34_B
#   possible swapping detected:  F    39_B      F    39_B
#   possible swapping detected:  E    48_B      E    48_B
#   possible swapping detected:  F    49_B      F    49_B
#   possible swapping detected:  D    75_B      D    75_B
#   possible swapping detected:  Y    82_B      Y    82_B
#   possible swapping detected:  Y    96_B      Y    96_B
#   possible swapping detected:  Y   117_B      Y   117_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     0.453     0    0.664   0.970     8.366   91.190   53.545
LGA    L     6_B      L     6_B     0.608     0    0.028   0.152     0.779   90.476   90.476
LGA    V     7_B      V     7_B     0.456     0    0.153   0.875     2.434   97.619   88.367
LGA    E     8_B      E     8_B     0.729     0    0.058   0.251     0.893   90.476   90.476
LGA    S     9_B      S     9_B     0.581     0    0.052   0.520     1.930   97.619   92.302
LGA    G    10_B      G    10_B     0.508     0    0.694   0.694     3.016   82.738   82.738
LGA    G    11_B      G    11_B     1.353     0    0.055   0.055     1.530   83.810   83.810
LGA    G    12_B      G    12_B     1.027     0    0.038   0.038     1.027   88.214   88.214
LGA    L    13_B      L    13_B     1.109     0    0.053   0.212     2.187   81.429   78.274
LGA    V    14_B      V    14_B     0.767     0    0.033   0.078     0.864   90.476   90.476
LGA    Q    15_B      Q    15_B     0.567     0    0.020   0.941     3.748   95.238   84.497
LGA    A    16_B      A    16_B     0.467     0    0.033   0.063     0.583   97.619   98.095
LGA    G    17_B      G    17_B     0.541     0    0.041   0.041     0.561   95.238   95.238
LGA    G    18_B      G    18_B     0.398     0    0.063   0.063     1.070   92.976   92.976
LGA    S    19_B      S    19_B     0.335     0    0.076   0.124     0.665   97.619   96.825
LGA    L    20_B      L    20_B     0.286     0    0.031   1.095     2.269   97.619   88.810
LGA    G    21_B      G    21_B     0.378     0    0.039   0.039     0.378  100.000  100.000
LGA    L    22_B      L    22_B     0.292     0    0.019   0.102     0.384  100.000  100.000
LGA    S    23_B      S    23_B     0.357     0    0.007   0.087     0.534   97.619   98.413
LGA    C    24_B      C    24_B     0.545     0    0.056   0.137     0.835   90.476   90.476
LGA    A    25_B      A    25_B     0.385     0    0.079   0.090     0.420  100.000  100.000
LGA    A    26_B      A    26_B     0.721     0    0.056   0.065     0.790   90.476   90.476
LGA    S    27_B      S    27_B     0.584     0    0.216   0.293     2.724   79.881   80.476
LGA    G    28_B      G    28_B     1.368     0    0.077   0.077     2.706   73.452   73.452
LGA    R    29_B      R    29_B     3.336     0    0.522   0.748     9.116   50.357   26.753
LGA    T    30_B      T    30_B     0.814     0    0.248   1.097     2.917   84.048   77.007
LGA    F    31_B      F    31_B     1.060     0    0.022   0.085     1.387   85.952   84.719
LGA    S    32_B      S    32_B     0.559     0    0.104   0.099     0.787   90.476   90.476
LGA    N    33_B      N    33_B     0.396     0    0.195   1.014     2.553   97.619   87.679
LGA    Y    34_B      Y    34_B     0.760     0    0.022   0.110     1.150   90.476   88.968
LGA    V    35_B      V    35_B     0.779     0    0.054   0.952     2.416   88.214   82.993
LGA    M    36_B      M    36_B     0.835     0    0.004   0.185     0.915   90.476   90.476
LGA    A    37_B      A    37_B     0.696     0    0.014   0.020     0.870   90.476   90.476
LGA    W    38_B      W    38_B     0.450     0    0.000   0.098     0.647  100.000   98.639
LGA    F    39_B      F    39_B     0.477     0    0.035   0.073     0.852  100.000   93.939
LGA    R    40_B      R    40_B     0.449     0    0.020   0.098     0.612   97.619   97.403
LGA    Q    41_B      Q    41_B     0.517     0    0.014   0.209     1.034   92.857   91.587
LGA    A    42_B      A    42_B     0.532     0    0.000   0.015     0.604   90.476   92.381
LGA    P    43_B      P    43_B     0.723     0    0.075   0.362     1.177   92.857   90.544
LGA    G    44_B      G    44_B     1.379     0    0.094   0.094     1.379   81.429   81.429
LGA    K    45_B      K    45_B     0.955     0    0.084   0.853     3.427   90.595   79.524
LGA    E    46_B      E    46_B     0.800     0    0.050   0.862     2.563   90.476   83.862
LGA    R    47_B      R    47_B     0.759     0    0.036   0.735     2.335   90.476   84.026
LGA    E    48_B      E    48_B     0.832     0    0.046   0.506     1.436   92.857   86.508
LGA    F    49_B      F    49_B     0.483     0    0.036   0.121     0.651   97.619   93.074
LGA    V    50_B      V    50_B     0.335     0    0.003   0.028     0.425  100.000  100.000
LGA    A    51_B      A    51_B     0.399     0    0.040   0.051     0.414  100.000  100.000
LGA    R    52_B      R    52_B     0.521     0    0.026   0.652     2.168   95.238   89.870
LGA    I    53_B      I    53_B     0.489     0    0.056   0.191     0.845   97.619   95.238
LGA    S    54_B      S    54_B     0.417     0    0.028   0.236     1.589   92.857   89.127
LGA    E    55_B      E    55_B     1.232     0    0.686   1.154     3.744   72.024   70.952
LGA    S    56_B      S    56_B     2.628     0    0.384   0.388     3.748   66.905   59.048
LGA    R    57_B      R    57_B     0.943     0    0.016   0.646     7.050   83.810   60.043
LGA    G    58_B      G    58_B     1.017     0    0.016   0.016     1.143   85.952   85.952
LGA    T    59_B      T    59_B     0.716     0    0.124   0.790     2.314   88.214   82.993
LGA    T    60_B      T    60_B     0.396     0    0.015   0.153     0.683  100.000   98.639
LGA    D    61_B      D    61_B     0.432     0    0.008   0.149     0.769  100.000   96.429
LGA    Y    62_B      Y    62_B     0.331     0    0.029   0.057     0.526  100.000   99.206
LGA    A    63_B      A    63_B     0.332     0    0.018   0.023     0.391  100.000  100.000
LGA    D    64_B      D    64_B     0.450     0    0.067   0.347     1.348   97.619   95.298
LGA    S    65_B      S    65_B     0.691     0    0.023   0.049     0.797   90.476   92.063
LGA    V    66_B      V    66_B     0.642     0    0.024   0.121     0.770   90.476   90.476
LGA    K    67_B      K    67_B     0.730     0    0.018   0.772     3.612   90.476   77.778
LGA    G    68_B      G    68_B     0.508     0    0.113   0.113     0.879   90.476   90.476
LGA    R    69_B      R    69_B     0.214     0    0.022   0.072     0.522  100.000   99.134
LGA    F    70_B      F    70_B     0.099     0    0.021   0.145     0.461  100.000  100.000
LGA    T    71_B      T    71_B     0.167     0    0.021   0.147     0.535  100.000   98.639
LGA    I    72_B      I    72_B     0.328     0    0.039   0.190     0.813  100.000   97.619
LGA    S    73_B      S    73_B     0.189     0    0.024   0.073     0.464  100.000  100.000
LGA    R    74_B      R    74_B     0.191     0    0.059   0.303     0.734  100.000   96.537
LGA    D    75_B      D    75_B     0.286     0    0.000   0.644     1.706  100.000   94.286
LGA    N    76_B      N    76_B     0.354     0    0.089   0.117     0.786   97.619   96.429
LGA    A    77_B      A    77_B     0.498     0    0.019   0.019     0.624   97.619   96.190
LGA    K    78_B      K    78_B     0.686     0    0.051   0.847     1.635   95.238   86.667
LGA    N    79_B      N    79_B     0.398     0    0.050   0.390     1.308   97.619   96.488
LGA    T    80_B      T    80_B     0.409     0    0.080   1.224     2.835  100.000   88.844
LGA    I    81_B      I    81_B     0.639     0    0.052   1.255     2.955   95.238   81.310
LGA    Y    82_B      Y    82_B     0.256     0    0.048   0.079     0.597  100.000   99.206
LGA    L    83_B      L    83_B     0.323     0    0.023   0.155     0.397  100.000  100.000
LGA    Q    84_B      Q    84_B     0.363     0    0.049   0.115     1.068  100.000   93.757
LGA    M    85_B      M    85_B     0.357     0    0.063   0.693     1.798   97.619   93.095
LGA    N    86_B      N    86_B     0.436     0    0.000   0.276     1.033  100.000   95.298
LGA    S    87_B      S    87_B     0.484     0    0.000   0.192     1.120  100.000   96.905
LGA    L    88_B      L    88_B     0.474     0    0.072   0.118     0.630   92.857   94.048
LGA    N    89_B      N    89_B     0.696     0    0.011   0.391     1.308   90.476   90.536
LGA    P    90_B      P    90_B     0.960     0    0.044   0.051     1.138   88.214   86.599
LGA    G    91_B      G    91_B     0.913     0    0.030   0.030     0.946   90.476   90.476
LGA    D    92_B      D    92_B     0.392     0    0.000   0.159     0.495  100.000  100.000
LGA    T    93_B      T    93_B     0.522     0    0.028   0.075     0.768   90.476   91.837
LGA    A    94_B      A    94_B     0.433     0    0.046   0.067     0.526  100.000   98.095
LGA    V    95_B      V    95_B     0.216     0    0.013   0.123     0.377  100.000  100.000
LGA    Y    96_B      Y    96_B     0.092     0    0.073   0.088     0.214  100.000  100.000
LGA    S    97_B      S    97_B     0.421     0    0.018   0.025     0.477  100.000  100.000
LGA    C    98_B      C    98_B     0.510     0    0.008   0.072     0.627   92.857   92.063
LGA    A    99_B      A    99_B     0.636     0    0.027   0.039     0.855   90.476   90.476
LGA    A   100_B      A   100_B     0.827     0    0.019   0.025     1.057   85.952   86.857
LGA    T   101_B      T   101_B     1.384     0    0.134   1.276     3.844   75.357   70.136
LGA    L   102_B      L   102_B     1.735     0    0.041   0.205     5.190   75.000   57.560
LGA    P   103_B      P   103_B     4.368     0    0.671   0.612     5.737   38.929   33.673
LGA    A   104_B      A   104_B     5.113     0    0.043   0.049     6.993   23.452   21.429
LGA    W   105_B      W   105_B     9.651     0    0.041   0.513    19.124    2.024    0.578
LGA    T   106_B      T   106_B     9.055     0    0.138   0.141     9.820    3.095    3.469
LGA    G   107_B      G   107_B     5.608     0    0.656   0.656     6.529   23.095   23.095
LGA    I   108_B      I   108_B     7.094     0    0.596   0.646    11.720   10.476    5.476
LGA    I   109_B      I   109_B     6.676     0    0.474   0.843     9.091   18.333   12.440
LGA    G   110_B      G   110_B     5.056     0    0.462   0.462     5.583   37.024   37.024
LGA    G   111_B      G   111_B     1.411     0    0.668   0.668     1.532   79.286   79.286
LGA    R   112_B      R   112_B     0.654     0    0.041   0.388     1.208   90.476   88.831
LGA    R   113_B      R   113_B     1.020     0    0.041   0.116     2.889   88.214   74.199
LGA    P   114_B      P   114_B     0.979     0    0.074   0.356     1.237   90.476   89.184
LGA    G   115_B      G   115_B     1.033     0    0.026   0.026     1.121   85.952   85.952
LGA    N   116_B      N   116_B     0.817     0    0.038   0.168     1.842   90.476   84.940
LGA    Y   117_B      Y   117_B     0.689     0    0.020   0.111     1.002   88.214   90.516
LGA    P   118_B      P   118_B     0.828     0    0.031   0.048     0.923   90.476   90.476
LGA    Y   119_B      Y   119_B     0.672     0    0.021   0.134     0.769   90.476   94.444
LGA    W   120_B      W   120_B     0.697     0    0.070   0.149     1.059   88.214   88.537
LGA    G   121_B      G   121_B     0.576     0    0.012   0.012     0.724   90.476   90.476
LGA    Q   122_B      Q   122_B     0.749     0    0.010   1.556     7.721   90.476   61.429
LGA    G   123_B      G   123_B     0.472     0    0.094   0.094     0.636   97.619   97.619
LGA    T   124_B      T   124_B     0.223     0    0.026   0.200     0.777  100.000   98.639
LGA    Q   125_B      Q   125_B     0.171     0    0.044   0.117     0.388  100.000  100.000
LGA    V   126_B      V   126_B     0.397     0    0.032   0.143     0.733   97.619   97.279
LGA    T   127_B      T   127_B     0.715     0    0.027   0.094     1.127   90.476   89.184
LGA    V   128_B      V   128_B     0.639     0    0.012   0.082     0.788   90.476   90.476
LGA    S   129_B      S   129_B     0.719     0    0.106   0.633     2.468   81.667   80.317

# 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):     1.869          1.870                  2.616           87.683   84.500

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  125    4.0    121    1.31    94.200    96.175     8.592

LGA_LOCAL      RMSD:   1.308  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.884  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.869  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.740293 * X  +  -0.426561 * Y  +   0.519627 * Z  + 126.487755
  Y_new =  -0.536796 * X  +  -0.840382 * Y  +   0.074886 * Z  +   4.101930
  Z_new =   0.404742 * X  +  -0.334371 * Y  +  -0.851105 * Z  + -20.000666 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.627382 -0.416696 -2.767251   [DEG:  -35.9463  -23.8749 -158.5518 ]
ZXZ:  1.713925  2.588883  2.261271   [DEG:   98.2007  148.3321  129.5613 ]
 
# END of job
