
#######################################################
#                                                     #
#                        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       1.61     1.61
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.61     1.61
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       5_B - 104_B       0.94     1.66
  LCS_AVERAGE:     66.73

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    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B    100  125  125     55  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B    100  125  125     16  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B    100  125  125     14  104  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B    100  125  125     51  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B    100  125  125     24  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B    100  125  125     53  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B    100  125  125     64  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B    100  125  125     51  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B    100  125  125     67  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B    100  125  125     65  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B    100  125  125     60  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B    100  125  125     14  103  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B    100  125  125      3    6   94  114  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B    100  125  125      3    3    6   91  116  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B    100  125  125      4   36   86  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B    100  125  125      4   14  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B    100  125  125      4    5    9   69  117  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B    100  125  125     16   66  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B    100  125  125      4  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B    100  125  125     43  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B    100  125  125     53  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B    100  125  125     59  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B    100  125  125     61  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B    100  125  125     44  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B    100  125  125     40  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B    100  125  125      3   23   54  110  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B    100  125  125      3   46  109  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B    100  125  125     13  103  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B    100  125  125     23  104  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B    100  125  125     43  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B    100  125  125     64  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B    100  125  125     53  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B    100  125  125     35  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B    100  125  125     37  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B    100  125  125     31  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B    100  125  125     57  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B    100  125  125     16  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B    100  125  125     66  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B    100  125  125     31  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B    100  125  125     36  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B    100  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B    100  125  125     54  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B    100  125  125     12  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B    100  125  125     24   97  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B      4  125  125      4    4    4    4    5   39   50   59   93  103  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      4  125  125      4    4    4    4    5    6    7   11   16   41   90  121  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      6  125  125      4   25   70  110  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      6  125  125      3    5    8   16   29   54  120  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      6  125  125      4    5    6   16   22   88  115  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B     20  125  125      8   22   91  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B     20  125  125      8  104  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B     20  125  125     65  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B     20  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B     20  125  125     16  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B     20  125  125     13  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     20  125  125     62  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     20  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     20  125  125     62  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     20  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     20  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     20  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     20  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     20  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     20  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     20  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     20  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     20  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     20  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     20  125  125     68  105  113  115  118  121  121  123  123  123  123  124  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  88.91  (  66.73  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     68    105    113    115    118    121    121    123    123    123    123    124    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  54.40  84.00  90.40  92.00  94.40  96.80  96.80  98.40  98.40  98.40  98.40  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.54   0.64   0.71   0.88   1.00   1.00   1.22   1.22   1.22   1.22   1.44   1.61   1.61   1.61   1.61   1.61   1.61   1.61   1.61
GDT RMS_ALL_AT   1.78   1.71   1.68   1.67   1.64   1.64   1.64   1.63   1.63   1.63   1.63   1.62   1.61   1.61   1.61   1.61   1.61   1.61   1.61   1.61

# Checking swapping
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  D    75_B      D    75_B
#   possible swapping detected:  Y    82_B      Y    82_B
#   possible swapping detected:  Y   119_B      Y   119_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     0.249     0    0.691   1.173     6.839   89.286   56.138
LGA    L     6_B      L     6_B     0.475     0    0.059   0.171     0.715   95.238   95.238
LGA    V     7_B      V     7_B     0.849     0    0.051   1.320     3.914   90.476   78.776
LGA    E     8_B      E     8_B     0.568     0    0.021   0.656     2.395   95.238   90.794
LGA    S     9_B      S     9_B     0.239     0    0.045   0.536     1.960  100.000   95.476
LGA    G    10_B      G    10_B     0.711     0    0.659   0.659     3.196   80.476   80.476
LGA    G    11_B      G    11_B     0.949     0    0.115   0.115     1.382   85.952   85.952
LGA    G    12_B      G    12_B     1.332     0    0.012   0.012     1.332   85.952   85.952
LGA    L    13_B      L    13_B     1.196     0    0.122   1.093     3.619   81.429   75.595
LGA    V    14_B      V    14_B     0.757     0    0.095   0.117     0.963   92.857   91.837
LGA    Q    15_B      Q    15_B     0.715     0    0.096   0.588     2.560   90.476   81.958
LGA    A    16_B      A    16_B     0.842     0    0.065   0.073     1.143   90.476   88.667
LGA    G    17_B      G    17_B     0.809     0    0.089   0.089     0.809   90.476   90.476
LGA    G    18_B      G    18_B     0.754     0    0.082   0.082     1.212   88.214   88.214
LGA    S    19_B      S    19_B     0.766     0    0.052   0.104     0.977   90.476   90.476
LGA    L    20_B      L    20_B     0.559     0    0.051   0.769     2.579   90.476   86.310
LGA    G    21_B      G    21_B     0.773     0    0.106   0.106     0.773   90.476   90.476
LGA    L    22_B      L    22_B     0.505     0    0.072   0.131     0.720   90.476   92.857
LGA    S    23_B      S    23_B     0.519     0    0.029   0.574     2.424   90.476   86.190
LGA    C    24_B      C    24_B     0.745     0    0.070   0.087     0.944   90.476   90.476
LGA    A    25_B      A    25_B     0.740     0    0.059   0.087     0.919   90.476   90.476
LGA    A    26_B      A    26_B     0.694     0    0.038   0.040     0.828   90.476   90.476
LGA    S    27_B      S    27_B     0.585     0    0.149   0.262     2.096   84.048   78.968
LGA    G    28_B      G    28_B     1.074     0    0.077   0.077     1.457   86.071   86.071
LGA    R    29_B      R    29_B     3.025     0    0.546   1.240    11.681   47.738   26.840
LGA    T    30_B      T    30_B     2.969     0    0.197   1.233     6.833   69.286   47.687
LGA    F    31_B      F    31_B     2.283     0    0.643   1.509    11.418   72.976   31.342
LGA    S    32_B      S    32_B     1.573     0    0.146   0.133     3.029   67.262   65.159
LGA    N    33_B      N    33_B     3.129     0    0.141   1.065     6.138   53.810   44.583
LGA    Y    34_B      Y    34_B     1.430     0    0.112   0.375     4.781   81.548   61.706
LGA    V    35_B      V    35_B     0.858     0    0.027   1.238     3.120   92.857   82.245
LGA    M    36_B      M    36_B     0.975     0    0.073   1.049     2.925   90.476   81.964
LGA    A    37_B      A    37_B     1.189     0    0.050   0.050     1.319   83.690   83.238
LGA    W    38_B      W    38_B     0.808     0    0.040   0.103     1.214   88.214   89.898
LGA    F    39_B      F    39_B     0.703     0    0.041   0.094     1.483   92.857   86.407
LGA    R    40_B      R    40_B     0.473     0    0.025   0.820     2.647   92.857   88.398
LGA    Q    41_B      Q    41_B     0.593     0    0.037   1.003     2.998   90.476   83.810
LGA    A    42_B      A    42_B     0.697     0    0.074   0.077     0.898   95.238   94.286
LGA    P    43_B      P    43_B     0.400     0    0.148   0.418     1.636   97.619   92.041
LGA    G    44_B      G    44_B     0.437     0    0.098   0.098     0.634   95.238   95.238
LGA    K    45_B      K    45_B     0.491     0    0.083   0.690     3.359  100.000   90.265
LGA    E    46_B      E    46_B     0.519     0    0.042   0.612     1.939   90.476   91.693
LGA    R    47_B      R    47_B     0.753     0    0.061   1.311     5.535   90.476   75.022
LGA    E    48_B      E    48_B     0.541     0    0.026   0.362     1.154   90.476   89.524
LGA    F    49_B      F    49_B     0.594     0    0.053   0.085     1.471   92.857   86.407
LGA    V    50_B      V    50_B     0.490     0    0.056   0.101     0.760   92.857   94.558
LGA    A    51_B      A    51_B     1.173     0    0.043   0.049     1.468   88.214   86.857
LGA    R    52_B      R    52_B     0.540     0    0.097   1.421     6.891   90.476   66.926
LGA    I    53_B      I    53_B     0.510     0    0.034   1.250     3.040   95.238   78.571
LGA    S    54_B      S    54_B     0.551     0    0.169   0.309     1.873   86.190   87.619
LGA    E    55_B      E    55_B     2.671     0    0.739   1.448     9.016   65.000   35.503
LGA    S    56_B      S    56_B     2.089     0    0.107   0.603     3.035   66.905   65.079
LGA    R    57_B      R    57_B     0.975     0    0.197   0.996     4.891   85.952   72.251
LGA    G    58_B      G    58_B     0.873     0    0.071   0.071     0.873   90.476   90.476
LGA    T    59_B      T    59_B     0.453     0    0.042   0.848     2.026   97.619   88.571
LGA    T    60_B      T    60_B     0.607     0    0.054   0.230     1.360   97.619   91.973
LGA    D    61_B      D    61_B     0.461     0    0.056   1.258     4.255   92.857   79.583
LGA    Y    62_B      Y    62_B     0.713     0    0.082   0.097     0.980   90.476   90.476
LGA    A    63_B      A    63_B     0.670     0    0.068   0.069     0.786   90.476   90.476
LGA    D    64_B      D    64_B     0.895     0    0.107   0.196     1.798   90.476   86.012
LGA    S    65_B      S    65_B     0.795     0    0.057   0.096     0.888   90.476   92.063
LGA    V    66_B      V    66_B     0.830     0    0.085   0.227     1.151   90.476   90.544
LGA    K    67_B      K    67_B     0.781     0    0.030   1.062     5.423   90.476   70.317
LGA    G    68_B      G    68_B     0.705     0    0.081   0.081     0.999   90.476   90.476
LGA    R    69_B      R    69_B     0.415     0    0.027   0.234     0.671  100.000   99.134
LGA    F    70_B      F    70_B     0.346     0    0.016   0.217     1.083  100.000   95.714
LGA    T    71_B      T    71_B     0.348     0    0.062   0.161     0.726  100.000   98.639
LGA    I    72_B      I    72_B     0.240     0    0.030   1.273     2.689  100.000   85.833
LGA    S    73_B      S    73_B     0.326     0    0.024   0.543     1.860  100.000   95.476
LGA    R    74_B      R    74_B     0.523     0    0.020   0.542     1.386   92.857   86.407
LGA    D    75_B      D    75_B     0.547     0    0.017   0.558     1.965   97.619   91.845
LGA    N    76_B      N    76_B     0.731     0    0.207   0.201     2.195   92.857   82.917
LGA    A    77_B      A    77_B     0.442     0    0.021   0.044     0.976   95.238   94.286
LGA    K    78_B      K    78_B     0.880     0    0.138   1.257     4.218   92.857   79.735
LGA    N    79_B      N    79_B     0.568     0    0.076   1.361     3.745   90.476   76.667
LGA    T    80_B      T    80_B     0.661     0    0.013   1.039     2.550   92.857   83.401
LGA    I    81_B      I    81_B     0.557     0    0.021   0.254     0.836   92.857   92.857
LGA    Y    82_B      Y    82_B     0.290     0    0.058   0.105     0.464  100.000  100.000
LGA    L    83_B      L    83_B     0.737     0    0.028   0.273     0.858   90.476   90.476
LGA    Q    84_B      Q    84_B     0.776     0    0.031   0.184     1.568   90.476   86.508
LGA    M    85_B      M    85_B     0.530     0    0.152   0.763     1.677   88.214   86.131
LGA    N    86_B      N    86_B     0.570     0    0.056   0.286     0.735   95.238   95.238
LGA    S    87_B      S    87_B     0.495     0    0.056   0.146     1.232   97.619   93.730
LGA    L    88_B      L    88_B     0.473     0    0.118   0.188     0.845   92.857   94.048
LGA    N    89_B      N    89_B     0.815     0    0.072   0.171     1.023   90.476   89.345
LGA    P    90_B      P    90_B     0.571     0    0.694   0.636     2.571   82.143   83.129
LGA    G    91_B      G    91_B     1.019     0    0.168   0.168     1.730   83.810   83.810
LGA    D    92_B      D    92_B     0.281     0    0.098   0.153     0.543  100.000   98.810
LGA    T    93_B      T    93_B     0.416     0    0.058   0.150     0.881  100.000   97.279
LGA    A    94_B      A    94_B     0.462     0    0.019   0.035     0.462  100.000  100.000
LGA    V    95_B      V    95_B     0.369     0    0.042   1.161     2.818  100.000   90.000
LGA    Y    96_B      Y    96_B     0.229     0    0.026   0.070     0.379  100.000  100.000
LGA    S    97_B      S    97_B     0.409     0    0.032   0.683     2.189  100.000   94.127
LGA    C    98_B      C    98_B     0.466     0    0.068   0.110     0.583   95.238   96.825
LGA    A    99_B      A    99_B     0.638     0    0.086   0.088     0.886   90.476   90.476
LGA    A   100_B      A   100_B     0.750     0    0.059   0.069     0.750   90.476   90.476
LGA    T   101_B      T   101_B     0.575     0    0.033   1.052     2.539   90.476   83.197
LGA    L   102_B      L   102_B     0.933     0    0.172   1.438     3.794   83.810   75.714
LGA    P   103_B      P   103_B     0.923     0    0.660   0.675     3.864   74.286   76.122
LGA    A   104_B      A   104_B     1.350     0    0.665   0.620     5.394   58.810   60.000
LGA    W   105_B      W   105_B     8.692     0    0.044   0.466    17.733    5.357    1.565
LGA    T   106_B      T   106_B     8.517     0    0.036   1.170    10.757    7.619    4.966
LGA    G   107_B      G   107_B     3.695     0    0.106   0.106     4.577   40.357   40.357
LGA    I   108_B      I   108_B     5.422     0    0.187   1.338    11.105   27.738   17.143
LGA    I   109_B      I   109_B     5.517     0    0.166   0.221     7.436   27.857   20.238
LGA    G   110_B      G   110_B     2.786     0    0.207   0.207     3.398   65.357   65.357
LGA    G   111_B      G   111_B     1.296     0    0.469   0.469     1.296   88.333   88.333
LGA    R   112_B      R   112_B     0.836     0    0.102   1.390     3.579   92.857   73.377
LGA    R   113_B      R   113_B     0.867     0    0.125   1.631     8.900   90.476   55.455
LGA    P   114_B      P   114_B     1.238     0    0.033   0.385     1.535   85.952   85.374
LGA    G   115_B      G   115_B     0.860     0    0.103   0.103     0.886   95.238   95.238
LGA    N   116_B      N   116_B     0.278     0    0.155   0.836     2.818   97.619   88.750
LGA    Y   117_B      Y   117_B     0.469     0    0.046   0.134     1.262   97.619   90.595
LGA    P   118_B      P   118_B     0.293     0    0.043   0.178     0.625  100.000   97.279
LGA    Y   119_B      Y   119_B     0.420     0    0.047   0.410     1.929  100.000   86.984
LGA    W   120_B      W   120_B     0.282     0    0.034   0.203     1.174  100.000   95.306
LGA    G   121_B      G   121_B     0.262     0    0.059   0.059     0.279  100.000  100.000
LGA    Q   122_B      Q   122_B     0.467     0    0.057   1.094     4.443  100.000   81.217
LGA    G   123_B      G   123_B     0.051     0    0.084   0.084     0.713   97.619   97.619
LGA    T   124_B      T   124_B     0.254     0    0.040   1.159     2.588  100.000   87.483
LGA    Q   125_B      Q   125_B     0.226     0    0.025   0.959     3.683  100.000   85.926
LGA    V   126_B      V   126_B     0.431     0    0.083   0.171     0.714  100.000   98.639
LGA    T   127_B      T   127_B     0.606     0    0.071   0.952     2.670   90.476   82.041
LGA    V   128_B      V   128_B     0.611     0    0.080   0.086     1.021   92.857   89.252
LGA    S   129_B      S   129_B     0.527     0    0.212   0.854     2.388   90.476   87.778

# 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):     1.614          1.612                  2.698           87.568   81.912

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  125    4.0    123    1.22    93.600    96.389     9.332

LGA_LOCAL      RMSD:   1.218  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.626  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.614  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.940024 * X  +  -0.339717 * Y  +  -0.030782 * Z  +  85.762108
  Y_new =  -0.079383 * X  +  -0.130107 * Y  +  -0.988317 * Z  +  44.328850
  Z_new =   0.331743 * X  +   0.931485 * Y  +  -0.149271 * Z  +  -6.775342 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.084248 -0.338151  1.729696   [DEG:   -4.8270  -19.3746   99.1043 ]
ZXZ: -0.031135  1.720628  0.342138   [DEG:   -1.7839   98.5847   19.6031 ]
 
# END of job
