
#######################################################
#                                                     #
#                        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       1.07     1.07
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.07     1.07
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       5_B - 107_B       0.90     1.08
  LCS_AVERAGE:     70.80

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    103  125  125     67  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B    103  125  125      3  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B    103  125  125     67  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B    103  125  125     59  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B    103  125  125     32  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B    103  125  125     39  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B    103  125  125      8  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B    103  125  125     54  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B    103  125  125     62  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B    103  125  125     58  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B    103  125  125     67  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B    103  125  125      9  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B    103  125  125      3    4   39  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B    103  125  125     17  107  117  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B    103  125  125      3    5   11   17  114  121  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B    103  125  125      3    5   51   94  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B    103  125  125     10   89  116  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B    103  125  125     67  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B    103  125  125     67  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B    103  125  125     72  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B    103  125  125     57  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B    103  125  125     57  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B    103  125  125     54  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B    103  125  125     39  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B    103  125  125     70  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B    103  125  125     67  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B    103  125  125     15  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B    103  125  125      9   61  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B    103  125  125      5   61  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B    103  125  125     20  110  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B    103  125  125     20  108  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B     49  125  125      3    5   11   33   49  119  124  125  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    7   16   31  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B     20  125  125      3  105  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B     20  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B     20  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B     20  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B     20  125  125     70  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B     20  125  125     60  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     20  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     20  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     20  125  125     55  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     20  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     20  125  125     72  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     20  125  125     62  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     20  125  125     45  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     20  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     20  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     20  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     20  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     20  125  125     71  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     20  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     20  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  90.27  (  70.80  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     74    111    118    120    121    122    124    125    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  59.20  88.80  94.40  96.00  96.80  97.60  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.50   0.60   0.64   0.71   0.76   1.00   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07
GDT RMS_ALL_AT   1.09   1.09   1.10   1.09   1.09   1.09   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07

# 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:  F    49_B      F    49_B
#   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    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     0.626     0    0.651   0.532    10.355   86.429   47.196
LGA    L     6_B      L     6_B     0.542     0    0.051   0.149     0.889   90.476   92.857
LGA    V     7_B      V     7_B     0.443     0    0.129   0.876     2.188  100.000   91.088
LGA    E     8_B      E     8_B     0.591     0    0.032   0.238     0.968   90.476   90.476
LGA    S     9_B      S     9_B     0.624     0    0.057   0.537     1.712   97.619   92.302
LGA    G    10_B      G    10_B     0.312     0    0.680   0.680     3.112   85.119   85.119
LGA    G    11_B      G    11_B     1.176     0    0.000   0.000     1.417   85.952   85.952
LGA    G    12_B      G    12_B     0.639     0    0.008   0.008     0.639   95.238   95.238
LGA    L    13_B      L    13_B     0.766     0    0.056   0.239     1.704   90.476   87.143
LGA    V    14_B      V    14_B     0.465     0    0.043   0.764     1.884  100.000   90.884
LGA    Q    15_B      Q    15_B     0.319     0    0.043   1.326     5.663  100.000   74.656
LGA    A    16_B      A    16_B     0.324     0    0.027   0.040     0.413  100.000  100.000
LGA    G    17_B      G    17_B     0.313     0    0.067   0.067     0.413  100.000  100.000
LGA    G    18_B      G    18_B     0.405     0    0.098   0.098     0.878   97.619   97.619
LGA    S    19_B      S    19_B     0.551     0    0.039   0.075     0.727   95.238   93.651
LGA    L    20_B      L    20_B     0.334     0    0.029   1.184     2.505  100.000   87.857
LGA    G    21_B      G    21_B     0.184     0    0.086   0.086     0.489  100.000  100.000
LGA    L    22_B      L    22_B     0.083     0    0.031   0.098     0.457  100.000  100.000
LGA    S    23_B      S    23_B     0.335     0    0.024   0.136     0.626   97.619   95.238
LGA    C    24_B      C    24_B     0.393     0    0.073   0.086     0.593   97.619   98.413
LGA    A    25_B      A    25_B     0.289     0    0.066   0.081     0.308  100.000  100.000
LGA    A    26_B      A    26_B     0.549     0    0.010   0.006     0.589   90.476   90.476
LGA    S    27_B      S    27_B     0.586     0    0.159   0.254     1.858   86.071   87.540
LGA    G    28_B      G    28_B     0.823     0    0.146   0.146     2.383   81.786   81.786
LGA    R    29_B      R    29_B     0.337     0    0.147   0.793     3.700   95.357   83.333
LGA    T    30_B      T    30_B     0.759     0    0.233   0.368     1.585   86.071   84.150
LGA    F    31_B      F    31_B     0.995     0    0.024   0.035     1.093   88.214   87.186
LGA    S    32_B      S    32_B     0.805     0    0.087   0.084     0.943   90.476   90.476
LGA    N    33_B      N    33_B     0.768     0    0.021   1.118     2.481   90.476   84.048
LGA    Y    34_B      Y    34_B     0.628     0    0.070   0.171     1.068   90.476   88.968
LGA    V    35_B      V    35_B     0.305     0    0.054   0.930     2.172  100.000   91.088
LGA    M    36_B      M    36_B     0.352     0    0.017   0.293     0.657  100.000   96.429
LGA    A    37_B      A    37_B     0.312     0    0.008   0.010     0.429  100.000  100.000
LGA    W    38_B      W    38_B     0.197     0    0.012   0.056     0.507  100.000   99.320
LGA    F    39_B      F    39_B     0.255     0    0.028   0.047     0.447  100.000  100.000
LGA    R    40_B      R    40_B     0.281     0    0.007   0.124     0.561  100.000   99.134
LGA    Q    41_B      Q    41_B     0.432     0    0.034   0.280     1.584   97.619   91.746
LGA    A    42_B      A    42_B     0.418     0    0.000   0.000     0.438  100.000  100.000
LGA    P    43_B      P    43_B     0.498     0    0.086   0.328     0.685   97.619   94.558
LGA    G    44_B      G    44_B     0.764     0    0.089   0.089     0.764   90.476   90.476
LGA    K    45_B      K    45_B     0.669     0    0.059   0.814     2.740   92.857   84.127
LGA    E    46_B      E    46_B     0.519     0    0.055   0.854     2.110   95.238   87.778
LGA    R    47_B      R    47_B     0.525     0    0.050   0.714     1.568   92.857   85.671
LGA    E    48_B      E    48_B     0.309     0    0.013   0.557     1.359  100.000   94.815
LGA    F    49_B      F    49_B     0.160     0    0.021   0.077     0.480  100.000  100.000
LGA    V    50_B      V    50_B     0.206     0    0.028   0.066     0.438  100.000  100.000
LGA    A    51_B      A    51_B     0.201     0    0.026   0.033     0.322  100.000  100.000
LGA    R    52_B      R    52_B     0.325     0    0.074   0.860     4.956  100.000   77.662
LGA    I    53_B      I    53_B     0.211     0    0.020   0.184     0.901   95.238   95.238
LGA    S    54_B      S    54_B     1.165     0    0.201   0.444     2.794   75.476   74.683
LGA    E    55_B      E    55_B     3.285     0    0.191   0.958    10.707   55.476   29.524
LGA    S    56_B      S    56_B     1.145     0    0.287   0.283     3.989   70.000   63.413
LGA    R    57_B      R    57_B     4.156     0    0.086   0.722     8.445   40.952   23.377
LGA    G    58_B      G    58_B     3.279     0    0.087   0.087     4.208   50.357   50.357
LGA    T    59_B      T    59_B     1.704     0    0.040   0.795     3.774   81.667   72.517
LGA    T    60_B      T    60_B     0.486     0    0.076   0.873     2.293   97.619   89.592
LGA    D    61_B      D    61_B     0.358     0    0.028   0.181     0.719  100.000   97.619
LGA    Y    62_B      Y    62_B     0.288     0    0.032   0.059     0.435  100.000  100.000
LGA    A    63_B      A    63_B     0.326     0    0.017   0.016     0.360  100.000  100.000
LGA    D    64_B      D    64_B     0.197     0    0.086   0.160     0.695  100.000   98.810
LGA    S    65_B      S    65_B     0.470     0    0.018   0.082     0.570   97.619   96.825
LGA    V    66_B      V    66_B     0.471     0    0.031   0.149     0.692   95.238   97.279
LGA    K    67_B      K    67_B     0.621     0    0.012   0.789     3.926   90.476   76.085
LGA    G    68_B      G    68_B     0.655     0    0.085   0.085     0.898   90.476   90.476
LGA    R    69_B      R    69_B     0.402     0    0.070   0.100     0.518   97.619   99.134
LGA    F    70_B      F    70_B     0.348     0    0.000   0.059     0.489  100.000  100.000
LGA    T    71_B      T    71_B     0.539     0    0.023   0.124     0.974   95.238   93.197
LGA    I    72_B      I    72_B     0.378     0    0.015   0.156     0.645   97.619   97.619
LGA    S    73_B      S    73_B     0.548     0    0.027   0.099     0.749   95.238   93.651
LGA    R    74_B      R    74_B     0.532     0    0.036   0.631     3.453   90.476   81.299
LGA    D    75_B      D    75_B     0.912     0    0.040   0.644     2.541   90.476   84.048
LGA    N    76_B      N    76_B     0.873     0    0.126   0.115     1.412   83.690   84.821
LGA    A    77_B      A    77_B     0.986     0    0.015   0.023     1.290   85.952   86.857
LGA    K    78_B      K    78_B     0.991     0    0.036   0.905     2.816   90.476   81.799
LGA    N    79_B      N    79_B     0.563     0    0.015   0.334     1.119   95.238   91.726
LGA    T    80_B      T    80_B     0.365     0    0.055   1.232     3.026  100.000   86.735
LGA    I    81_B      I    81_B     0.279     0    0.000   0.335     1.047  100.000   96.488
LGA    Y    82_B      Y    82_B     0.068     0    0.028   0.091     1.038  100.000   95.278
LGA    L    83_B      L    83_B     0.142     0    0.020   0.146     0.473  100.000  100.000
LGA    Q    84_B      Q    84_B     0.297     0    0.046   0.107     1.193  100.000   92.751
LGA    M    85_B      M    85_B     0.352     0    0.054   0.480     1.727   97.619   94.226
LGA    N    86_B      N    86_B     0.292     0    0.000   0.284     1.115  100.000   95.298
LGA    S    87_B      S    87_B     0.612     0    0.017   0.159     1.078   90.476   88.968
LGA    L    88_B      L    88_B     0.389     0    0.103   0.124     0.540   97.619   98.810
LGA    N    89_B      N    89_B     0.740     0    0.016   0.337     1.084   90.476   89.345
LGA    P    90_B      P    90_B     0.619     0    0.023   0.045     0.661   90.476   90.476
LGA    G    91_B      G    91_B     0.641     0    0.031   0.031     0.692   90.476   90.476
LGA    D    92_B      D    92_B     0.513     0    0.018   0.130     0.571   90.476   94.048
LGA    T    93_B      T    93_B     0.379     0    0.022   0.059     0.425  100.000  100.000
LGA    A    94_B      A    94_B     0.411     0    0.026   0.028     0.482  100.000  100.000
LGA    V    95_B      V    95_B     0.134     0    0.020   0.093     0.243  100.000  100.000
LGA    Y    96_B      Y    96_B     0.062     0    0.020   0.052     0.278  100.000  100.000
LGA    S    97_B      S    97_B     0.104     0    0.024   0.046     0.251  100.000  100.000
LGA    C    98_B      C    98_B     0.412     0    0.032   0.073     0.725   97.619   96.825
LGA    A    99_B      A    99_B     0.413     0    0.035   0.048     0.497  100.000  100.000
LGA    A   100_B      A   100_B     0.614     0    0.025   0.037     0.795   90.476   90.476
LGA    T   101_B      T   101_B     0.752     0    0.025   0.078     1.436   95.238   89.320
LGA    L   102_B      L   102_B     0.520     0    0.023   0.238     0.954   92.857   92.857
LGA    P   103_B      P   103_B     1.353     0    0.081   0.298     2.016   77.143   75.374
LGA    A   104_B      A   104_B     2.100     0    0.042   0.046     2.525   64.881   64.857
LGA    W   105_B      W   105_B     1.992     0    0.021   0.236     4.199   70.833   60.034
LGA    T   106_B      T   106_B     1.507     0    0.021   0.115     1.694   72.857   76.531
LGA    G   107_B      G   107_B     1.910     0    0.538   0.538     3.363   67.143   67.143
LGA    I   108_B      I   108_B     4.727     0    0.031   0.285     8.573   33.929   22.857
LGA    I   109_B      I   109_B     5.088     0    0.080   1.079     9.533   42.619   24.048
LGA    G   110_B      G   110_B     1.629     0    0.527   0.527     1.629   79.405   79.405
LGA    G   111_B      G   111_B     0.284     0    0.050   0.050     0.284  100.000  100.000
LGA    R   112_B      R   112_B     0.158     0    0.030   0.408     1.058  100.000   93.160
LGA    R   113_B      R   113_B     0.350     0    0.038   0.174     2.165  100.000   86.753
LGA    P   114_B      P   114_B     0.569     0    0.048   0.316     0.911   92.857   93.197
LGA    G   115_B      G   115_B     0.744     0    0.046   0.046     0.744   90.476   90.476
LGA    N   116_B      N   116_B     0.391     0    0.057   0.123     0.973  100.000   96.429
LGA    Y   117_B      Y   117_B     0.422     0    0.034   0.095     0.786   95.238   98.413
LGA    P   118_B      P   118_B     0.889     0    0.033   0.065     1.156   90.476   87.891
LGA    Y   119_B      Y   119_B     0.550     0    0.017   0.142     0.958   90.476   92.063
LGA    W   120_B      W   120_B     0.596     0    0.061   0.187     1.040   90.476   89.830
LGA    G   121_B      G   121_B     0.735     0    0.022   0.022     1.004   88.214   88.214
LGA    Q   122_B      Q   122_B     1.139     0    0.007   1.588     8.099   85.952   56.455
LGA    G   123_B      G   123_B     0.493     0    0.133   0.133     0.871   97.619   97.619
LGA    T   124_B      T   124_B     0.193     0    0.028   0.163     0.535  100.000   98.639
LGA    Q   125_B      Q   125_B     0.212     0    0.017   0.220     0.824  100.000   96.825
LGA    V   126_B      V   126_B     0.372     0    0.039   0.109     0.631   97.619   97.279
LGA    T   127_B      T   127_B     0.630     0    0.061   0.098     0.953   90.476   90.476
LGA    V   128_B      V   128_B     0.621     0    0.051   0.100     0.725   90.476   90.476
LGA    S   129_B      S   129_B     0.428     0    0.151   0.194     1.159   95.238   92.143

# 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):     1.067          1.085                  1.743           91.734   88.123

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  125    4.0    125    1.07    96.200    98.014    10.709

LGA_LOCAL      RMSD:   1.067  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.067  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.067  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.479647 * X  +  -0.721577 * Y  +   0.499265 * Z  + 127.550354
  Y_new =  -0.844842 * X  +  -0.533472 * Y  +   0.040629 * Z  +   4.575052
  Z_new =   0.237027 * X  +  -0.441287 * Y  +  -0.865496 * Z  + -20.309818 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.054439 -0.239304 -2.670084   [DEG:  -60.4149  -13.7111 -152.9845 ]
ZXZ:  1.651995  2.616937  2.648687   [DEG:   94.6523  149.9394  151.7586 ]
 
# END of job
